#PARTICLE AtomType Element Sigma Epsilon Sigma14 Epsilon14 Mass degFree #BOND AtomType1 AtomType2 BondType KB r0 #ANGLE AtomType1 AtomType2 AtomType3 AngleType Ktheta theta0 #TORSION AtomType1 AtomType2 AtomType3 AtomType4 TorsType multipl. K_chi n delta K_chi n delta ... #IMPROPER AtomType1 AtomType2 AtomType3 AtomType4 ImprType Kpsi psi0 particles { particle: particle_type=S, element_name=S, sigma=4.000000, epsilon=0.450000, sigma14=4.000000, epsilon14=0.450000, mass=32.060000, free=3, charge=0.000000; particle: particle_type=CAL, element_name=CA, sigma=2.734000, epsilon=0.120000, sigma14=2.734000, epsilon14=0.120000, mass=40.080000, free=3, charge=0.000000; particle: particle_type=NY, element_name=N, sigma=3.700000, epsilon=0.200000, sigma14=3.700000, epsilon14=0.200000, mass=14.007000, free=3, charge=0.000000; particle: particle_type=ZN, element_name=ZN, sigma=2.180000, epsilon=0.250000, sigma14=2.180000, epsilon14=0.250000, mass=65.370000, free=3, charge=0.000000; particle: particle_type=NN2C, element_name=N, sigma=3.700000, epsilon=0.200000, sigma14=3.700000, epsilon14=0.200000, mass=14.007000, free=3, charge=0.000000; particle: particle_type=CD, element_name=C, sigma=4.000000, epsilon=0.070000, sigma14=4.000000, epsilon14=0.070000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=OH1, element_name=O, sigma=3.540000, epsilon=0.152100, sigma14=3.540000, epsilon14=0.152100, mass=15.999000, free=3, charge=0.000000; particle: particle_type=CP2, element_name=C, sigma=4.350000, epsilon=0.055000, sigma14=3.800000, epsilon14=0.010000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=HNP, element_name=H, sigma=2.716400, epsilon=0.030000, sigma14=2.716400, epsilon14=0.030000, mass=1.008000, free=3, charge=0.000000; particle: particle_type=ON1C, element_name=O, sigma=3.400000, epsilon=0.120000, sigma14=3.400000, epsilon14=0.120000, mass=15.999400, free=3, charge=0.000000; particle: particle_type=HN6, element_name=H, sigma=2.640000, epsilon=0.022000, sigma14=2.640000, epsilon14=0.022000, mass=1.008000, free=3, charge=0.000000; particle: particle_type=HR2, element_name=H, sigma=1.400000, epsilon=0.046000, sigma14=1.400000, epsilon14=0.046000, mass=1.008000, free=3, charge=0.000000; particle: particle_type=FNA, element_name=F, sigma=3.400000, epsilon=0.120000, sigma14=3.400000, epsilon14=0.120000, mass=18.998400, free=3, charge=0.000000; particle: particle_type=HN4, element_name=H, sigma=0.449000, epsilon=0.046000, sigma14=0.449000, epsilon14=0.046000, mass=1.008000, free=3, charge=0.000000; particle: particle_type=ON4, element_name=O, sigma=3.540000, epsilon=0.152100, sigma14=3.540000, epsilon14=0.152100, mass=15.999400, free=3, charge=0.000000; particle: particle_type=ON5, element_name=O, sigma=3.540000, epsilon=0.152100, sigma14=3.540000, epsilon14=0.152100, mass=15.999400, free=3, charge=0.000000; particle: particle_type=CE1, element_name=C, sigma=4.180000, epsilon=0.068000, sigma14=4.180000, epsilon14=0.068000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=OT, element_name=O, sigma=3.536400, epsilon=0.152100, sigma14=3.536400, epsilon14=0.152100, mass=15.999400, free=3, charge=0.000000; particle: particle_type=CN3T, element_name=C, sigma=3.800000, epsilon=0.090000, sigma14=3.800000, epsilon14=0.090000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=CN3D, element_name=C, sigma=3.800000, epsilon=0.090000, sigma14=3.800000, epsilon14=0.090000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=CN9, element_name=C, sigma=4.080000, epsilon=0.078000, sigma14=3.800000, epsilon14=0.010000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=HB, element_name=H, sigma=2.640000, epsilon=0.022000, sigma14=2.640000, epsilon14=0.022000, mass=1.008000, free=3, charge=0.000000; particle: particle_type=NN3, element_name=N, sigma=3.700000, epsilon=0.200000, sigma14=3.700000, epsilon14=0.200000, mass=14.007000, free=3, charge=0.000000; particle: particle_type=CN3A, element_name=C, sigma=3.600000, epsilon=0.180000, sigma14=3.600000, epsilon14=0.180000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=ON1, element_name=O, sigma=3.400000, epsilon=0.120000, sigma14=3.400000, epsilon14=0.120000, mass=15.999400, free=3, charge=0.000000; particle: particle_type=NN3A, element_name=N, sigma=3.700000, epsilon=0.200000, sigma14=3.700000, epsilon14=0.200000, mass=14.007000, free=3, charge=0.000000; particle: particle_type=C, element_name=C, sigma=4.000000, epsilon=0.110000, sigma14=4.000000, epsilon14=0.110000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=CN1A, element_name=C, sigma=4.000000, epsilon=0.070000, sigma14=4.000000, epsilon14=0.070000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=NN3I, element_name=N, sigma=3.700000, epsilon=0.200000, sigma14=3.700000, epsilon14=0.200000, mass=14.007000, free=3, charge=0.000000; particle: particle_type=FE, element_name=Fe, sigma=1.300000, epsilon=0.000000, sigma14=1.300000, epsilon14=0.000000, mass=55.847000, free=3, charge=0.000000; particle: particle_type=CA, element_name=C, sigma=3.984800, epsilon=0.070000, sigma14=3.984800, epsilon14=0.070000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=NN2G, element_name=N, sigma=3.700000, epsilon=0.200000, sigma14=3.700000, epsilon14=0.200000, mass=14.007000, free=3, charge=0.000000; particle: particle_type=CN5, element_name=C, sigma=3.800000, epsilon=0.075000, sigma14=3.800000, epsilon14=0.075000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=CN4, element_name=C, sigma=3.800000, epsilon=0.075000, sigma14=3.800000, epsilon14=0.075000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=CM, element_name=C, sigma=4.200000, epsilon=0.110000, sigma14=4.200000, epsilon14=0.110000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=MG, element_name=MG, sigma=2.370000, epsilon=0.015000, sigma14=2.370000, epsilon14=0.015000, mass=24.305000, free=3, charge=0.000000; particle: particle_type=CN5G, element_name=C, sigma=3.800000, epsilon=0.075000, sigma14=3.800000, epsilon14=0.075000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=HS, element_name=H, sigma=0.900000, epsilon=0.100000, sigma14=0.900000, epsilon14=0.100000, mass=1.008000, free=3, charge=0.000000; particle: particle_type=CPH2, element_name=C, sigma=3.600000, epsilon=0.050000, sigma14=3.600000, epsilon14=0.050000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=NN3G, element_name=N, sigma=3.700000, epsilon=0.200000, sigma14=3.700000, epsilon14=0.200000, mass=14.007000, free=3, charge=0.000000; particle: particle_type=NN1, element_name=N, sigma=3.700000, epsilon=0.200000, sigma14=3.700000, epsilon14=0.200000, mass=14.007000, free=3, charge=0.000000; particle: particle_type=NP, element_name=N, sigma=3.700000, epsilon=0.200000, sigma14=3.700000, epsilon14=0.200000, mass=14.007000, free=3, charge=0.000000; particle: particle_type=HE1, element_name=H, sigma=2.500000, epsilon=0.031000, sigma14=2.500000, epsilon14=0.031000, mass=1.008000, free=3, charge=0.000000; particle: particle_type=CNA, element_name=C, sigma=3.984800, epsilon=0.070000, sigma14=3.984800, epsilon14=0.070000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=NR3, element_name=N, sigma=3.700000, epsilon=0.200000, sigma14=3.700000, epsilon14=0.200000, mass=14.007000, free=3, charge=0.000000; particle: particle_type=CNA2, element_name=C, sigma=3.800000, epsilon=0.070000, sigma14=3.800000, epsilon14=0.070000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=HN9, element_name=H, sigma=2.680000, epsilon=0.024000, sigma14=2.680000, epsilon14=0.024000, mass=1.008000, free=3, charge=0.000000; particle: particle_type=HE2, element_name=H, sigma=2.520000, epsilon=0.026000, sigma14=2.520000, epsilon14=0.026000, mass=1.008000, free=3, charge=0.000000; particle: particle_type=CNE1, element_name=C, sigma=4.180000, epsilon=0.068000, sigma14=4.180000, epsilon14=0.068000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=NN5, element_name=N, sigma=3.700000, epsilon=0.200000, sigma14=3.700000, epsilon14=0.200000, mass=14.007000, free=3, charge=0.000000; particle: particle_type=HN3, element_name=H, sigma=2.200000, epsilon=0.046000, sigma14=2.200000, epsilon14=0.046000, mass=1.008000, free=3, charge=0.000000; particle: particle_type=CC, element_name=C, sigma=4.000000, epsilon=0.070000, sigma14=4.000000, epsilon14=0.070000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=HN1, element_name=H, sigma=0.449000, epsilon=0.046000, sigma14=0.449000, epsilon14=0.046000, mass=1.008000, free=3, charge=0.000000; particle: particle_type=N, element_name=N, sigma=3.700000, epsilon=0.200000, sigma14=3.700000, epsilon14=0.000100, mass=14.007000, free=3, charge=0.000000; particle: particle_type=NH3, element_name=N, sigma=3.700000, epsilon=0.200000, sigma14=3.700000, epsilon14=0.200000, mass=14.007000, free=3, charge=0.000000; particle: particle_type=CN2, element_name=C, sigma=3.800000, epsilon=0.100000, sigma14=3.800000, epsilon14=0.100000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=CN8, element_name=C, sigma=4.020000, epsilon=0.056000, sigma14=3.800000, epsilon14=0.010000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=NN6, element_name=N, sigma=3.700000, epsilon=0.200000, sigma14=3.700000, epsilon14=0.200000, mass=14.007000, free=3, charge=0.000000; particle: particle_type=NE, element_name=NE, sigma=3.060000, epsilon=0.086000, sigma14=3.060000, epsilon14=0.086000, mass=20.179700, free=3, charge=0.000000; particle: particle_type=HR1, element_name=H, sigma=1.800000, epsilon=0.046000, sigma14=1.800000, epsilon14=0.046000, mass=1.008000, free=3, charge=0.000000; particle: particle_type=CPB, element_name=C, sigma=3.600000, epsilon=0.090000, sigma14=3.600000, epsilon14=0.090000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=NH2, element_name=N, sigma=3.700000, epsilon=0.200000, sigma14=3.700000, epsilon14=0.200000, mass=14.007000, free=3, charge=0.000000; particle: particle_type=DUM, element_name=H, sigma=0.000000, epsilon=0.000000, sigma14=0.000000, epsilon14=0.000000, mass=0.000000, free=3, charge=0.000000; particle: particle_type=CES, element_name=CS, sigma=4.200000, epsilon=0.190000, sigma14=4.200000, epsilon14=0.190000, mass=132.900000, free=3, charge=0.000000; particle: particle_type=H, element_name=H, sigma=0.449000, epsilon=0.046000, sigma14=0.449000, epsilon14=0.046000, mass=1.008000, free=3, charge=0.000000; particle: particle_type=OM, element_name=O, sigma=3.400000, epsilon=0.120000, sigma14=3.400000, epsilon14=0.120000, mass=15.999000, free=3, charge=0.000000; particle: particle_type=CPT, element_name=C, sigma=3.600000, epsilon=0.090000, sigma14=3.800000, epsilon14=0.090000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=NPH, element_name=N, sigma=3.700000, epsilon=0.200000, sigma14=3.700000, epsilon14=0.200000, mass=14.007000, free=3, charge=0.000000; particle: particle_type=CNE2, element_name=C, sigma=4.160000, epsilon=0.064000, sigma14=4.160000, epsilon14=0.064000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=CN3C, element_name=C, sigma=3.600000, epsilon=0.180000, sigma14=3.600000, epsilon14=0.180000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=HNE1, element_name=H, sigma=2.500000, epsilon=0.031000, sigma14=2.500000, epsilon14=0.031000, mass=1.008000, free=3, charge=0.000000; particle: particle_type=ON6, element_name=O, sigma=3.540000, epsilon=0.152100, sigma14=3.540000, epsilon14=0.152100, mass=15.999400, free=3, charge=0.000000; particle: particle_type=HN3B, element_name=H, sigma=1.800000, epsilon=0.046000, sigma14=1.800000, epsilon14=0.046000, mass=1.008000, free=3, charge=0.000000; particle: particle_type=NN1C, element_name=N, sigma=3.700000, epsilon=0.200000, sigma14=3.700000, epsilon14=0.200000, mass=14.007000, free=3, charge=0.000000; particle: particle_type=CT2, element_name=C, sigma=4.350000, epsilon=0.055000, sigma14=3.800000, epsilon14=0.010000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=CS, element_name=C, sigma=4.400000, epsilon=0.110000, sigma14=4.400000, epsilon14=0.110000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=P2, element_name=P, sigma=4.300000, epsilon=0.585000, sigma14=4.300000, epsilon14=0.585000, mass=30.974000, free=3, charge=0.000000; particle: particle_type=NN2, element_name=N, sigma=3.700000, epsilon=0.200000, sigma14=3.700000, epsilon14=0.200000, mass=14.007000, free=3, charge=0.000000; particle: particle_type=OB, element_name=O, sigma=3.400000, epsilon=0.120000, sigma14=2.800000, epsilon14=0.120000, mass=15.999000, free=3, charge=0.000000; particle: particle_type=CN3, element_name=C, sigma=3.800000, epsilon=0.090000, sigma14=3.800000, epsilon14=0.090000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=HT, element_name=H, sigma=0.449000, epsilon=0.046000, sigma14=0.449000, epsilon14=0.046000, mass=1.008000, free=3, charge=0.000000; particle: particle_type=HN3C, element_name=H, sigma=2.716400, epsilon=0.030000, sigma14=2.716400, epsilon14=0.030000, mass=1.008000, free=3, charge=0.000000; particle: particle_type=NN2U, element_name=N, sigma=3.700000, epsilon=0.200000, sigma14=3.700000, epsilon14=0.200000, mass=14.007000, free=3, charge=0.000000; particle: particle_type=ON6B, element_name=O, sigma=3.540000, epsilon=0.152100, sigma14=3.540000, epsilon14=0.152100, mass=15.999400, free=3, charge=0.000000; particle: particle_type=NR2, element_name=N, sigma=3.700000, epsilon=0.200000, sigma14=3.700000, epsilon14=0.200000, mass=14.007000, free=3, charge=0.000000; particle: particle_type=SS, element_name=S, sigma=4.400000, epsilon=0.470000, sigma14=4.400000, epsilon14=0.470000, mass=32.060000, free=3, charge=0.000000; particle: particle_type=NR1, element_name=N, sigma=3.700000, epsilon=0.200000, sigma14=3.700000, epsilon14=0.200000, mass=14.007000, free=3, charge=0.000000; particle: particle_type=SOD, element_name=NA, sigma=2.727500, epsilon=0.046900, sigma14=2.727500, epsilon14=0.046900, mass=22.989770, free=3, charge=0.000000; particle: particle_type=ON2, element_name=O, sigma=3.540000, epsilon=0.152100, sigma14=3.540000, epsilon14=0.152100, mass=15.999400, free=3, charge=0.000000; particle: particle_type=CP1, element_name=C, sigma=4.550000, epsilon=0.020000, sigma14=3.800000, epsilon14=0.010000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=HN8, element_name=H, sigma=2.680000, epsilon=0.028000, sigma14=2.680000, epsilon14=0.028000, mass=1.008000, free=3, charge=0.000000; particle: particle_type=HE, element_name=HE, sigma=2.960000, epsilon=0.021270, sigma14=2.960000, epsilon14=0.021270, mass=4.002600, free=3, charge=0.000000; particle: particle_type=NN4, element_name=N, sigma=3.700000, epsilon=0.200000, sigma14=3.700000, epsilon14=0.200000, mass=14.007000, free=3, charge=0.000000; particle: particle_type=HR3, element_name=H, sigma=2.936000, epsilon=0.007800, sigma14=2.936000, epsilon14=0.007800, mass=1.008000, free=3, charge=0.000000; particle: particle_type=CPA, element_name=C, sigma=3.600000, epsilon=0.090000, sigma14=3.600000, epsilon14=0.090000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=CN7B, element_name=C, sigma=4.550000, epsilon=0.020000, sigma14=3.800000, epsilon14=0.010000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=P, element_name=P, sigma=4.300000, epsilon=0.585000, sigma14=4.300000, epsilon14=0.585000, mass=30.974000, free=3, charge=0.000000; particle: particle_type=HN7, element_name=H, sigma=2.640000, epsilon=0.022000, sigma14=2.640000, epsilon14=0.022000, mass=1.008000, free=3, charge=0.000000; particle: particle_type=CE2, element_name=C, sigma=4.160000, epsilon=0.064000, sigma14=4.160000, epsilon14=0.064000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=NC2, element_name=N, sigma=3.700000, epsilon=0.200000, sigma14=3.700000, epsilon14=0.200000, mass=14.007000, free=3, charge=0.000000; particle: particle_type=SM, element_name=S, sigma=3.950000, epsilon=0.380000, sigma14=3.950000, epsilon14=0.380000, mass=32.060000, free=3, charge=0.000000; particle: particle_type=HN2, element_name=H, sigma=0.449000, epsilon=0.046000, sigma14=0.449000, epsilon14=0.046000, mass=1.008000, free=3, charge=0.000000; particle: particle_type=CPH1, element_name=C, sigma=3.600000, epsilon=0.050000, sigma14=3.600000, epsilon14=0.050000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=ON3, element_name=O, sigma=3.400000, epsilon=0.120000, sigma14=3.400000, epsilon14=0.120000, mass=15.999400, free=3, charge=0.000000; particle: particle_type=CPM, element_name=C, sigma=3.600000, epsilon=0.090000, sigma14=3.600000, epsilon14=0.090000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=OS, element_name=O, sigma=3.540000, epsilon=0.152100, sigma14=3.540000, epsilon14=0.152100, mass=15.999400, free=3, charge=0.000000; particle: particle_type=CLA, element_name=CL, sigma=4.540000, epsilon=0.150000, sigma14=4.540000, epsilon14=0.150000, mass=35.450000, free=3, charge=0.000000; particle: particle_type=NH1, element_name=N, sigma=3.700000, epsilon=0.200000, sigma14=3.100000, epsilon14=0.200000, mass=14.007000, free=3, charge=0.000000; particle: particle_type=CN7D, element_name=C, sigma=4.550000, epsilon=0.020000, sigma14=3.800000, epsilon14=0.010000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=NN2B, element_name=N, sigma=3.700000, epsilon=0.200000, sigma14=3.700000, epsilon14=0.200000, mass=14.007000, free=3, charge=0.000000; particle: particle_type=HA, element_name=H, sigma=2.640000, epsilon=0.022000, sigma14=2.640000, epsilon14=0.022000, mass=1.008000, free=3, charge=0.000000; particle: particle_type=CN7C, element_name=C, sigma=4.550000, epsilon=0.020000, sigma14=3.800000, epsilon14=0.010000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=CP3, element_name=C, sigma=4.350000, epsilon=0.055000, sigma14=3.800000, epsilon14=0.010000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=CN8B, element_name=C, sigma=4.020000, epsilon=0.056000, sigma14=3.800000, epsilon14=0.010000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=CN7, element_name=C, sigma=4.550000, epsilon=0.020000, sigma14=3.800000, epsilon14=0.010000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=FN1, element_name=F, sigma=3.400000, epsilon=0.090000, sigma14=3.400000, epsilon14=0.090000, mass=18.998400, free=3, charge=0.000000; particle: particle_type=CY, element_name=C, sigma=3.984800, epsilon=0.070000, sigma14=3.984800, epsilon14=0.070000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=OC, element_name=O, sigma=3.400000, epsilon=0.120000, sigma14=3.400000, epsilon14=0.120000, mass=15.999000, free=3, charge=0.000000; particle: particle_type=ON2b, element_name=O, sigma=3.540000, epsilon=0.152100, sigma14=3.540000, epsilon14=0.152100, mass=15.999400, free=3, charge=0.000000; particle: particle_type=CN3B, element_name=C, sigma=3.600000, epsilon=0.180000, sigma14=3.600000, epsilon14=0.180000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=HN5, element_name=H, sigma=0.449000, epsilon=0.046000, sigma14=0.449000, epsilon14=0.046000, mass=1.008000, free=3, charge=0.000000; particle: particle_type=CN1, element_name=C, sigma=3.800000, epsilon=0.100000, sigma14=3.800000, epsilon14=0.100000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=CN1T, element_name=C, sigma=3.800000, epsilon=0.100000, sigma14=3.800000, epsilon14=0.100000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=O, element_name=O, sigma=3.400000, epsilon=0.120000, sigma14=2.800000, epsilon14=0.120000, mass=15.999000, free=3, charge=0.000000; particle: particle_type=CT3, element_name=C, sigma=4.120000, epsilon=0.080000, sigma14=3.800000, epsilon14=0.010000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=CT1, element_name=C, sigma=4.550000, epsilon=0.020000, sigma14=3.800000, epsilon14=0.010000, mass=12.011000, free=3, charge=0.000000; particle: particle_type=HC, element_name=H, sigma=0.449000, epsilon=0.046000, sigma14=0.449000, epsilon14=0.046000, mass=1.008000, free=3, charge=0.000000; particle: particle_type=HNE2, element_name=H, sigma=2.520000, epsilon=0.026000, sigma14=2.520000, epsilon14=0.026000, mass=1.008000, free=3, charge=0.000000; particle: particle_type=POT, element_name=K, sigma=3.527500, epsilon=0.087000, sigma14=3.527500, epsilon14=0.087000, mass=39.102000, free=3, charge=0.000000; particle: particle_type=HP, element_name=H, sigma=2.716400, epsilon=0.030000, sigma14=2.716400, epsilon14=0.030000, mass=1.008000, free=3, charge=0.000000; }; bonds { bond: particle_type1=S, particle_type2=CT3, bond_type=harmonic, k_b=240.000000, r_0=1.816000, k=0.000000, e_0=0.000000; bond: particle_type1=S, particle_type2=HS, bond_type=harmonic, k_b=275.000000, r_0=1.325000, k=0.000000, e_0=0.000000; bond: particle_type1=S, particle_type2=CT2, bond_type=harmonic, k_b=198.000000, r_0=1.818000, k=0.000000, e_0=0.000000; bond: particle_type1=NY, particle_type2=H, bond_type=harmonic, k_b=465.000000, r_0=0.976000, k=0.000000, e_0=0.000000; bond: particle_type1=NY, particle_type2=CPT, bond_type=harmonic, k_b=270.000000, r_0=1.375000, k=0.000000, e_0=0.000000; bond: particle_type1=NY, particle_type2=CA, bond_type=harmonic, k_b=270.000000, r_0=1.370000, k=0.000000, e_0=0.000000; bond: particle_type1=CN3, particle_type2=CN3T, bond_type=harmonic, k_b=560.000000, r_0=1.320000, k=0.000000, e_0=0.000000; bond: particle_type1=CN3, particle_type2=HN6, bond_type=harmonic, k_b=350.000000, r_0=1.090000, k=0.000000, e_0=0.000000; bond: particle_type1=CN3, particle_type2=CN8, bond_type=harmonic, k_b=222.500000, r_0=1.490000, k=0.000000, e_0=0.000000; bond: particle_type1=CN3, particle_type2=NN2B, bond_type=harmonic, k_b=320.000000, r_0=1.343000, k=0.000000, e_0=0.000000; bond: particle_type1=CN3, particle_type2=NN2, bond_type=harmonic, k_b=302.000000, r_0=1.343000, k=0.000000, e_0=0.000000; bond: particle_type1=CN3, particle_type2=HN3B, bond_type=harmonic, k_b=350.000000, r_0=1.090000, k=0.000000, e_0=0.000000; bond: particle_type1=CN3, particle_type2=HN3, bond_type=harmonic, k_b=350.000000, r_0=1.090000, k=0.000000, e_0=0.000000; bond: particle_type1=CN3, particle_type2=CN3, bond_type=harmonic, k_b=500.000000, r_0=1.326000, k=0.000000, e_0=0.000000; bond: particle_type1=OB, particle_type2=CD, bond_type=harmonic, k_b=750.000000, r_0=1.220000, k=0.000000, e_0=0.000000; bond: particle_type1=OB, particle_type2=CC, bond_type=harmonic, k_b=750.000000, r_0=1.220000, k=0.000000, e_0=0.000000; bond: particle_type1=HT, particle_type2=HT, bond_type=harmonic, k_b=0.000000, r_0=1.513900, k=0.000000, e_0=0.000000; bond: particle_type1=OH1, particle_type2=H, bond_type=harmonic, k_b=545.000000, r_0=0.960000, k=0.000000, e_0=0.000000; bond: particle_type1=OH1, particle_type2=CD, bond_type=harmonic, k_b=230.000000, r_0=1.400000, k=0.000000, e_0=0.000000; bond: particle_type1=OH1, particle_type2=CT3, bond_type=harmonic, k_b=428.000000, r_0=1.420000, k=0.000000, e_0=0.000000; bond: particle_type1=OH1, particle_type2=CT1, bond_type=harmonic, k_b=428.000000, r_0=1.420000, k=0.000000, e_0=0.000000; bond: particle_type1=OH1, particle_type2=CA, bond_type=harmonic, k_b=334.300000, r_0=1.411000, k=0.000000, e_0=0.000000; bond: particle_type1=OH1, particle_type2=CT2, bond_type=harmonic, k_b=428.000000, r_0=1.420000, k=0.000000, e_0=0.000000; bond: particle_type1=CP2, particle_type2=CP1, bond_type=harmonic, k_b=222.500000, r_0=1.527000, k=0.000000, e_0=0.000000; bond: particle_type1=CP2, particle_type2=CP2, bond_type=harmonic, k_b=222.500000, r_0=1.537000, k=0.000000, e_0=0.000000; bond: particle_type1=NR2, particle_type2=CPH1, bond_type=harmonic, k_b=400.000000, r_0=1.380000, k=0.000000, e_0=0.000000; bond: particle_type1=NR2, particle_type2=CPH2, bond_type=harmonic, k_b=400.000000, r_0=1.320000, k=0.000000, e_0=0.000000; bond: particle_type1=NR2, particle_type2=FE, bond_type=harmonic, k_b=65.000000, r_0=2.200000, k=0.000000, e_0=0.000000; bond: particle_type1=SS, particle_type2=CS, bond_type=harmonic, k_b=205.000000, r_0=1.836000, k=0.000000, e_0=0.000000; bond: particle_type1=NR1, particle_type2=H, bond_type=harmonic, k_b=466.000000, r_0=1.000000, k=0.000000, e_0=0.000000; bond: particle_type1=NR1, particle_type2=CPH1, bond_type=harmonic, k_b=400.000000, r_0=1.380000, k=0.000000, e_0=0.000000; bond: particle_type1=NR1, particle_type2=CPH2, bond_type=harmonic, k_b=400.000000, r_0=1.360000, k=0.000000, e_0=0.000000; bond: particle_type1=HR2, particle_type2=CPH2, bond_type=harmonic, k_b=333.000000, r_0=1.070000, k=0.000000, e_0=0.000000; bond: particle_type1=HN4, particle_type2=ON4, bond_type=harmonic, k_b=545.000000, r_0=0.960000, k=0.000000, e_0=0.000000; bond: particle_type1=ON2, particle_type2=P2, bond_type=harmonic, k_b=300.000000, r_0=1.680000, k=0.000000, e_0=0.000000; bond: particle_type1=ON2, particle_type2=P, bond_type=harmonic, k_b=270.000000, r_0=1.600000, k=0.000000, e_0=0.000000; bond: particle_type1=CP1, particle_type2=CD, bond_type=harmonic, k_b=200.000000, r_0=1.490000, k=0.000000, e_0=0.000000; bond: particle_type1=CP1, particle_type2=CC, bond_type=harmonic, k_b=250.000000, r_0=1.490000, k=0.000000, e_0=0.000000; bond: particle_type1=CP1, particle_type2=C, bond_type=harmonic, k_b=250.000000, r_0=1.490000, k=0.000000, e_0=0.000000; bond: particle_type1=ON4, particle_type2=P, bond_type=harmonic, k_b=237.000000, r_0=1.580000, k=0.000000, e_0=0.000000; bond: particle_type1=ON5, particle_type2=HN5, bond_type=harmonic, k_b=545.000000, r_0=0.960000, k=0.000000, e_0=0.000000; bond: particle_type1=CE1, particle_type2=CT3, bond_type=harmonic, k_b=383.000000, r_0=1.504000, k=0.000000, e_0=0.000000; bond: particle_type1=CE1, particle_type2=CE1, bond_type=harmonic, k_b=440.000000, r_0=1.340000, k=0.000000, e_0=0.000000; bond: particle_type1=CE1, particle_type2=CE2, bond_type=harmonic, k_b=500.000000, r_0=1.342000, k=0.000000, e_0=0.000000; bond: particle_type1=CE1, particle_type2=CT2, bond_type=harmonic, k_b=365.000000, r_0=1.502000, k=0.000000, e_0=0.000000; bond: particle_type1=OT, particle_type2=HT, bond_type=harmonic, k_b=450.000000, r_0=0.957200, k=0.000000, e_0=0.000000; bond: particle_type1=CN3T, particle_type2=CN9, bond_type=harmonic, k_b=230.000000, r_0=1.478000, k=0.000000, e_0=0.000000; bond: particle_type1=CN3T, particle_type2=HN3, bond_type=harmonic, k_b=350.000000, r_0=1.090000, k=0.000000, e_0=0.000000; bond: particle_type1=CN3D, particle_type2=CN9, bond_type=harmonic, k_b=230.000000, r_0=1.480000, k=0.000000, e_0=0.000000; bond: particle_type1=CN3D, particle_type2=CN3, bond_type=harmonic, k_b=560.000000, r_0=1.335000, k=0.000000, e_0=0.000000; bond: particle_type1=CN9, particle_type2=NN2B, bond_type=harmonic, k_b=400.000000, r_0=1.458000, k=0.000000, e_0=0.000000; bond: particle_type1=CN9, particle_type2=HN9, bond_type=harmonic, k_b=322.000000, r_0=1.111000, k=0.000000, e_0=0.000000; bond: particle_type1=CN9, particle_type2=NN2, bond_type=harmonic, k_b=400.000000, r_0=1.456000, k=0.000000, e_0=0.000000; bond: particle_type1=CN9, particle_type2=ON2, bond_type=harmonic, k_b=340.000000, r_0=1.430000, k=0.000000, e_0=0.000000; bond: particle_type1=HB, particle_type2=CP1, bond_type=harmonic, k_b=330.000000, r_0=1.080000, k=0.000000, e_0=0.000000; bond: particle_type1=HB, particle_type2=CT3, bond_type=harmonic, k_b=330.000000, r_0=1.080000, k=0.000000, e_0=0.000000; bond: particle_type1=HB, particle_type2=CT1, bond_type=harmonic, k_b=330.000000, r_0=1.080000, k=0.000000, e_0=0.000000; bond: particle_type1=HB, particle_type2=CT2, bond_type=harmonic, k_b=330.000000, r_0=1.080000, k=0.000000, e_0=0.000000; bond: particle_type1=HR3, particle_type2=CPH1, bond_type=harmonic, k_b=365.000000, r_0=1.083000, k=0.000000, e_0=0.000000; bond: particle_type1=CN3A, particle_type2=HN3B, bond_type=harmonic, k_b=350.000000, r_0=1.090000, k=0.000000, e_0=0.000000; bond: particle_type1=CN3A, particle_type2=CN3, bond_type=harmonic, k_b=450.000000, r_0=1.360000, k=0.000000, e_0=0.000000; bond: particle_type1=CN7B, particle_type2=NR1, bond_type=harmonic, k_b=220.000000, r_0=1.462000, k=0.000000, e_0=0.000000; bond: particle_type1=CN7B, particle_type2=NN2B, bond_type=harmonic, k_b=220.000000, r_0=1.458000, k=0.000000, e_0=0.000000; bond: particle_type1=CN7B, particle_type2=HN7, bond_type=harmonic, k_b=309.000000, r_0=1.111000, k=0.000000, e_0=0.000000; bond: particle_type1=CN7B, particle_type2=NN2, bond_type=harmonic, k_b=220.000000, r_0=1.456000, k=0.000000, e_0=0.000000; bond: particle_type1=CN7B, particle_type2=ON2, bond_type=harmonic, k_b=310.000000, r_0=1.433000, k=0.000000, e_0=0.000000; bond: particle_type1=CN7B, particle_type2=CN7C, bond_type=harmonic, k_b=200.000000, r_0=1.518000, k=0.000000, e_0=0.000000; bond: particle_type1=CN7B, particle_type2=ON5, bond_type=harmonic, k_b=428.000000, r_0=1.400000, k=0.000000, e_0=0.000000; bond: particle_type1=CN7B, particle_type2=CN8, bond_type=harmonic, k_b=200.000000, r_0=1.518000, k=0.000000, e_0=0.000000; bond: particle_type1=CN7B, particle_type2=CN7B, bond_type=harmonic, k_b=200.000000, r_0=1.450000, k=0.000000, e_0=0.000000; bond: particle_type1=CN7B, particle_type2=ON6B, bond_type=harmonic, k_b=260.000000, r_0=1.420000, k=0.000000, e_0=0.000000; bond: particle_type1=CN7B, particle_type2=ON6, bond_type=harmonic, k_b=260.000000, r_0=1.420000, k=0.000000, e_0=0.000000; bond: particle_type1=C, particle_type2=C, bond_type=harmonic, k_b=600.000000, r_0=1.335000, k=0.000000, e_0=0.000000; bond: particle_type1=CN1A, particle_type2=ON1, bond_type=harmonic, k_b=860.000000, r_0=1.230000, k=0.000000, e_0=0.000000; bond: particle_type1=CN1A, particle_type2=NN1, bond_type=harmonic, k_b=560.000000, r_0=1.360000, k=0.000000, e_0=0.000000; bond: particle_type1=CN1A, particle_type2=CN3, bond_type=harmonic, k_b=302.000000, r_0=1.480000, k=0.000000, e_0=0.000000; bond: particle_type1=FE, particle_type2=CM, bond_type=harmonic, k_b=258.000000, r_0=1.900000, k=0.000000, e_0=0.000000; bond: particle_type1=FE, particle_type2=CPM, bond_type=harmonic, k_b=0.000000, r_0=3.381400, k=0.000000, e_0=0.000000; bond: particle_type1=CA, particle_type2=ON2b, bond_type=harmonic, k_b=340.000000, r_0=1.380000, k=0.000000, e_0=0.000000; bond: particle_type1=CA, particle_type2=CA, bond_type=harmonic, k_b=305.000000, r_0=1.375000, k=0.000000, e_0=0.000000; bond: particle_type1=CN5, particle_type2=CN5, bond_type=harmonic, k_b=310.000000, r_0=1.361000, k=0.000000, e_0=0.000000; bond: particle_type1=CN5, particle_type2=NN4, bond_type=harmonic, k_b=310.000000, r_0=1.355000, k=0.000000, e_0=0.000000; bond: particle_type1=CN5, particle_type2=NN2B, bond_type=harmonic, k_b=302.000000, r_0=1.375000, k=0.000000, e_0=0.000000; bond: particle_type1=CN5, particle_type2=CN5G, bond_type=harmonic, k_b=320.000000, r_0=1.350000, k=0.000000, e_0=0.000000; bond: particle_type1=CN5, particle_type2=NN3G, bond_type=harmonic, k_b=350.000000, r_0=1.315000, k=0.000000, e_0=0.000000; bond: particle_type1=CN5, particle_type2=NN2, bond_type=harmonic, k_b=300.000000, r_0=1.375000, k=0.000000, e_0=0.000000; bond: particle_type1=CN5, particle_type2=NN3A, bond_type=harmonic, k_b=350.000000, r_0=1.312000, k=0.000000, e_0=0.000000; bond: particle_type1=CN5, particle_type2=NN3I, bond_type=harmonic, k_b=350.000000, r_0=1.332000, k=0.000000, e_0=0.000000; bond: particle_type1=CN4, particle_type2=NN3A, bond_type=harmonic, k_b=420.000000, r_0=1.322000, k=0.000000, e_0=0.000000; bond: particle_type1=CN4, particle_type2=NN2G, bond_type=harmonic, k_b=350.000000, r_0=1.365000, k=0.000000, e_0=0.000000; bond: particle_type1=CN4, particle_type2=NN4, bond_type=harmonic, k_b=400.000000, r_0=1.305000, k=0.000000, e_0=0.000000; bond: particle_type1=CN4, particle_type2=NN2B, bond_type=harmonic, k_b=300.000000, r_0=1.378000, k=0.000000, e_0=0.000000; bond: particle_type1=CN4, particle_type2=NN3I, bond_type=harmonic, k_b=450.000000, r_0=1.295000, k=0.000000, e_0=0.000000; bond: particle_type1=CN4, particle_type2=NN2, bond_type=harmonic, k_b=320.000000, r_0=1.374000, k=0.000000, e_0=0.000000; bond: particle_type1=CN4, particle_type2=HN3, bond_type=harmonic, k_b=380.000000, r_0=1.090000, k=0.000000, e_0=0.000000; bond: particle_type1=CN5G, particle_type2=NN4, bond_type=harmonic, k_b=310.000000, r_0=1.365000, k=0.000000, e_0=0.000000; bond: particle_type1=HE1, particle_type2=CE1, bond_type=harmonic, k_b=360.500000, r_0=1.100000, k=0.000000, e_0=0.000000; bond: particle_type1=NP, particle_type2=HC, bond_type=harmonic, k_b=460.000000, r_0=1.006000, k=0.000000, e_0=0.000000; bond: particle_type1=NP, particle_type2=CP1, bond_type=harmonic, k_b=320.000000, r_0=1.485000, k=0.000000, e_0=0.000000; bond: particle_type1=NP, particle_type2=CP3, bond_type=harmonic, k_b=320.000000, r_0=1.502000, k=0.000000, e_0=0.000000; bond: particle_type1=CE2, particle_type2=CE2, bond_type=harmonic, k_b=510.000000, r_0=1.330000, k=0.000000, e_0=0.000000; bond: particle_type1=NR3, particle_type2=H, bond_type=harmonic, k_b=453.000000, r_0=1.000000, k=0.000000, e_0=0.000000; bond: particle_type1=NR3, particle_type2=CPH1, bond_type=harmonic, k_b=380.000000, r_0=1.370000, k=0.000000, e_0=0.000000; bond: particle_type1=NR3, particle_type2=CPH2, bond_type=harmonic, k_b=380.000000, r_0=1.320000, k=0.000000, e_0=0.000000; bond: particle_type1=NC2, particle_type2=HC, bond_type=harmonic, k_b=455.000000, r_0=1.000000, k=0.000000, e_0=0.000000; bond: particle_type1=NC2, particle_type2=CT3, bond_type=harmonic, k_b=261.000000, r_0=1.490000, k=0.000000, e_0=0.000000; bond: particle_type1=NC2, particle_type2=C, bond_type=harmonic, k_b=463.000000, r_0=1.365000, k=0.000000, e_0=0.000000; bond: particle_type1=NC2, particle_type2=CT2, bond_type=harmonic, k_b=261.000000, r_0=1.490000, k=0.000000, e_0=0.000000; bond: particle_type1=SM, particle_type2=CT3, bond_type=harmonic, k_b=214.000000, r_0=1.816000, k=0.000000, e_0=0.000000; bond: particle_type1=SM, particle_type2=SM, bond_type=harmonic, k_b=173.000000, r_0=2.029000, k=0.000000, e_0=0.000000; bond: particle_type1=SM, particle_type2=CT2, bond_type=harmonic, k_b=214.000000, r_0=1.816000, k=0.000000, e_0=0.000000; bond: particle_type1=HE2, particle_type2=CE2, bond_type=harmonic, k_b=365.000000, r_0=1.100000, k=0.000000, e_0=0.000000; bond: particle_type1=NN5, particle_type2=HN1, bond_type=harmonic, k_b=460.000000, r_0=1.010000, k=0.000000, e_0=0.000000; bond: particle_type1=HN2, particle_type2=NN2U, bond_type=harmonic, k_b=474.000000, r_0=1.010000, k=0.000000, e_0=0.000000; bond: particle_type1=HN2, particle_type2=NN2G, bond_type=harmonic, k_b=471.000000, r_0=1.010000, k=0.000000, e_0=0.000000; bond: particle_type1=HN2, particle_type2=NN2B, bond_type=harmonic, k_b=474.000000, r_0=1.010000, k=0.000000, e_0=0.000000; bond: particle_type1=HN2, particle_type2=NN2, bond_type=harmonic, k_b=474.000000, r_0=1.010000, k=0.000000, e_0=0.000000; bond: particle_type1=ON3, particle_type2=P2, bond_type=harmonic, k_b=480.000000, r_0=1.530000, k=0.000000, e_0=0.000000; bond: particle_type1=ON3, particle_type2=P, bond_type=harmonic, k_b=580.000000, r_0=1.480000, k=0.000000, e_0=0.000000; bond: particle_type1=CPH1, particle_type2=CPH1, bond_type=harmonic, k_b=410.000000, r_0=1.360000, k=0.000000, e_0=0.000000; bond: particle_type1=HN1, particle_type2=NN1, bond_type=harmonic, k_b=488.000000, r_0=1.000000, k=0.000000, e_0=0.000000; bond: particle_type1=N, particle_type2=CP1, bond_type=harmonic, k_b=320.000000, r_0=1.434000, k=0.000000, e_0=0.000000; bond: particle_type1=N, particle_type2=CP3, bond_type=harmonic, k_b=320.000000, r_0=1.455000, k=0.000000, e_0=0.000000; bond: particle_type1=N, particle_type2=C, bond_type=harmonic, k_b=260.000000, r_0=1.300000, k=0.000000, e_0=0.000000; bond: particle_type1=NH3, particle_type2=HC, bond_type=harmonic, k_b=403.000000, r_0=1.040000, k=0.000000, e_0=0.000000; bond: particle_type1=NH3, particle_type2=CT3, bond_type=harmonic, k_b=200.000000, r_0=1.480000, k=0.000000, e_0=0.000000; bond: particle_type1=NH3, particle_type2=CT1, bond_type=harmonic, k_b=200.000000, r_0=1.480000, k=0.000000, e_0=0.000000; bond: particle_type1=NH3, particle_type2=CT2, bond_type=harmonic, k_b=200.000000, r_0=1.480000, k=0.000000, e_0=0.000000; bond: particle_type1=CPM, particle_type2=CPA, bond_type=harmonic, k_b=360.000000, r_0=1.371600, k=0.000000, e_0=0.000000; bond: particle_type1=CN2, particle_type2=CN3D, bond_type=harmonic, k_b=260.000000, r_0=1.405000, k=0.000000, e_0=0.000000; bond: particle_type1=CN2, particle_type2=NN2G, bond_type=harmonic, k_b=400.000000, r_0=1.392000, k=0.000000, e_0=0.000000; bond: particle_type1=CN2, particle_type2=CN5, bond_type=harmonic, k_b=360.000000, r_0=1.358000, k=0.000000, e_0=0.000000; bond: particle_type1=CN2, particle_type2=NN3G, bond_type=harmonic, k_b=320.000000, r_0=1.326000, k=0.000000, e_0=0.000000; bond: particle_type1=CN2, particle_type2=NN3, bond_type=harmonic, k_b=450.000000, r_0=1.343000, k=0.000000, e_0=0.000000; bond: particle_type1=CN2, particle_type2=NN1, bond_type=harmonic, k_b=360.000000, r_0=1.366000, k=0.000000, e_0=0.000000; bond: particle_type1=CN2, particle_type2=CN3, bond_type=harmonic, k_b=320.000000, r_0=1.406000, k=0.000000, e_0=0.000000; bond: particle_type1=CN2, particle_type2=NN3A, bond_type=harmonic, k_b=400.000000, r_0=1.342000, k=0.000000, e_0=0.000000; bond: particle_type1=CN8, particle_type2=ON5, bond_type=harmonic, k_b=428.000000, r_0=1.420000, k=0.000000, e_0=0.000000; bond: particle_type1=CN8, particle_type2=CN9, bond_type=harmonic, k_b=222.500000, r_0=1.528000, k=0.000000, e_0=0.000000; bond: particle_type1=CN8, particle_type2=CN8, bond_type=harmonic, k_b=222.500000, r_0=1.528000, k=0.000000, e_0=0.000000; bond: particle_type1=CN8, particle_type2=NN2B, bond_type=harmonic, k_b=400.000000, r_0=1.458000, k=0.000000, e_0=0.000000; bond: particle_type1=CN8, particle_type2=HN8, bond_type=harmonic, k_b=309.000000, r_0=1.111000, k=0.000000, e_0=0.000000; bond: particle_type1=CN8, particle_type2=NN2, bond_type=harmonic, k_b=400.000000, r_0=1.460000, k=0.000000, e_0=0.000000; bond: particle_type1=CN8, particle_type2=ON2, bond_type=harmonic, k_b=340.000000, r_0=1.440000, k=0.000000, e_0=0.000000; bond: particle_type1=OS, particle_type2=CD, bond_type=harmonic, k_b=150.000000, r_0=1.334000, k=0.000000, e_0=0.000000; bond: particle_type1=OS, particle_type2=CT3, bond_type=harmonic, k_b=340.000000, r_0=1.430000, k=0.000000, e_0=0.000000; bond: particle_type1=CPB, particle_type2=CPA, bond_type=harmonic, k_b=299.800000, r_0=1.443200, k=0.000000, e_0=0.000000; bond: particle_type1=CPB, particle_type2=C, bond_type=harmonic, k_b=450.000000, r_0=1.380000, k=0.000000, e_0=0.000000; bond: particle_type1=CPB, particle_type2=CPB, bond_type=harmonic, k_b=340.700000, r_0=1.346400, k=0.000000, e_0=0.000000; bond: particle_type1=HR1, particle_type2=CPH1, bond_type=harmonic, k_b=375.000000, r_0=1.083000, k=0.000000, e_0=0.000000; bond: particle_type1=HR1, particle_type2=CPH2, bond_type=harmonic, k_b=340.000000, r_0=1.090000, k=0.000000, e_0=0.000000; bond: particle_type1=NH1, particle_type2=HC, bond_type=harmonic, k_b=405.000000, r_0=0.980000, k=0.000000, e_0=0.000000; bond: particle_type1=NH1, particle_type2=H, bond_type=harmonic, k_b=440.000000, r_0=0.997000, k=0.000000, e_0=0.000000; bond: particle_type1=NH1, particle_type2=CT3, bond_type=harmonic, k_b=320.000000, r_0=1.430000, k=0.000000, e_0=0.000000; bond: particle_type1=NH1, particle_type2=CT1, bond_type=harmonic, k_b=320.000000, r_0=1.430000, k=0.000000, e_0=0.000000; bond: particle_type1=NH1, particle_type2=C, bond_type=harmonic, k_b=370.000000, r_0=1.345000, k=0.000000, e_0=0.000000; bond: particle_type1=NH1, particle_type2=CT2, bond_type=harmonic, k_b=320.000000, r_0=1.430000, k=0.000000, e_0=0.000000; bond: particle_type1=NH2, particle_type2=HC, bond_type=harmonic, k_b=460.000000, r_0=1.000000, k=0.000000, e_0=0.000000; bond: particle_type1=NH2, particle_type2=H, bond_type=harmonic, k_b=480.000000, r_0=1.000000, k=0.000000, e_0=0.000000; bond: particle_type1=NH2, particle_type2=CC, bond_type=harmonic, k_b=430.000000, r_0=1.360000, k=0.000000, e_0=0.000000; bond: particle_type1=NH2, particle_type2=CT3, bond_type=harmonic, k_b=240.000000, r_0=1.455000, k=0.000000, e_0=0.000000; bond: particle_type1=NH2, particle_type2=CT2, bond_type=harmonic, k_b=240.000000, r_0=1.455000, k=0.000000, e_0=0.000000; bond: particle_type1=HA, particle_type2=CY, bond_type=harmonic, k_b=330.000000, r_0=1.080000, k=0.000000, e_0=0.000000; bond: particle_type1=HA, particle_type2=CC, bond_type=harmonic, k_b=317.130000, r_0=1.100000, k=0.000000, e_0=0.000000; bond: particle_type1=HA, particle_type2=CT3, bond_type=harmonic, k_b=322.000000, r_0=1.111000, k=0.000000, e_0=0.000000; bond: particle_type1=HA, particle_type2=CT1, bond_type=harmonic, k_b=309.000000, r_0=1.111000, k=0.000000, e_0=0.000000; bond: particle_type1=HA, particle_type2=CT2, bond_type=harmonic, k_b=309.000000, r_0=1.111000, k=0.000000, e_0=0.000000; bond: particle_type1=HA, particle_type2=CPM, bond_type=harmonic, k_b=367.600000, r_0=1.090000, k=0.000000, e_0=0.000000; bond: particle_type1=HA, particle_type2=CS, bond_type=harmonic, k_b=300.000000, r_0=1.111000, k=0.000000, e_0=0.000000; bond: particle_type1=HA, particle_type2=CP3, bond_type=harmonic, k_b=309.000000, r_0=1.111000, k=0.000000, e_0=0.000000; bond: particle_type1=HA, particle_type2=CP2, bond_type=harmonic, k_b=309.000000, r_0=1.111000, k=0.000000, e_0=0.000000; bond: particle_type1=HA, particle_type2=C, bond_type=harmonic, k_b=330.000000, r_0=1.100000, k=0.000000, e_0=0.000000; bond: particle_type1=HA, particle_type2=CA, bond_type=harmonic, k_b=340.000000, r_0=1.083000, k=0.000000, e_0=0.000000; bond: particle_type1=CN7C, particle_type2=ON5, bond_type=harmonic, k_b=428.000000, r_0=1.400000, k=0.000000, e_0=0.000000; bond: particle_type1=CN7C, particle_type2=HN7, bond_type=harmonic, k_b=309.000000, r_0=1.111000, k=0.000000, e_0=0.000000; bond: particle_type1=H, particle_type2=CD, bond_type=harmonic, k_b=330.000000, r_0=1.110000, k=0.000000, e_0=0.000000; bond: particle_type1=CP3, particle_type2=CP2, bond_type=harmonic, k_b=222.500000, r_0=1.537000, k=0.000000, e_0=0.000000; bond: particle_type1=OM, particle_type2=OM, bond_type=harmonic, k_b=600.000000, r_0=1.230000, k=0.000000, e_0=0.000000; bond: particle_type1=OM, particle_type2=CM, bond_type=harmonic, k_b=1115.000000, r_0=1.128000, k=0.000000, e_0=0.000000; bond: particle_type1=OM, particle_type2=FE, bond_type=harmonic, k_b=250.000000, r_0=1.800000, k=0.000000, e_0=0.000000; bond: particle_type1=CPT, particle_type2=CPT, bond_type=harmonic, k_b=360.000000, r_0=1.400000, k=0.000000, e_0=0.000000; bond: particle_type1=CPT, particle_type2=CA, bond_type=harmonic, k_b=305.000000, r_0=1.368000, k=0.000000, e_0=0.000000; bond: particle_type1=CN8B, particle_type2=ON5, bond_type=harmonic, k_b=428.000000, r_0=1.420000, k=0.000000, e_0=0.000000; bond: particle_type1=CN8B, particle_type2=HN8, bond_type=harmonic, k_b=309.000000, r_0=1.111000, k=0.000000, e_0=0.000000; bond: particle_type1=CN8B, particle_type2=ON2, bond_type=harmonic, k_b=320.000000, r_0=1.440000, k=0.000000, e_0=0.000000; bond: particle_type1=NPH, particle_type2=CPA, bond_type=harmonic, k_b=377.200000, r_0=1.375700, k=0.000000, e_0=0.000000; bond: particle_type1=NPH, particle_type2=FE, bond_type=harmonic, k_b=270.200000, r_0=1.958000, k=0.000000, e_0=0.000000; bond: particle_type1=CN7, particle_type2=HN7, bond_type=harmonic, k_b=309.000000, r_0=1.111000, k=0.000000, e_0=0.000000; bond: particle_type1=CN7, particle_type2=ON2, bond_type=harmonic, k_b=310.000000, r_0=1.433000, k=0.000000, e_0=0.000000; bond: particle_type1=CN7, particle_type2=CN7C, bond_type=harmonic, k_b=222.500000, r_0=1.516000, k=0.000000, e_0=0.000000; bond: particle_type1=CN7, particle_type2=ON5, bond_type=harmonic, k_b=428.000000, r_0=1.420000, k=0.000000, e_0=0.000000; bond: particle_type1=CN7, particle_type2=CN8, bond_type=harmonic, k_b=222.500000, r_0=1.516000, k=0.000000, e_0=0.000000; bond: particle_type1=CN7, particle_type2=CN7B, bond_type=harmonic, k_b=222.500000, r_0=1.460000, k=0.000000, e_0=0.000000; bond: particle_type1=CN7, particle_type2=ON6B, bond_type=harmonic, k_b=240.000000, r_0=1.480000, k=0.000000, e_0=0.000000; bond: particle_type1=CN7, particle_type2=CN8B, bond_type=harmonic, k_b=222.500000, r_0=1.512000, k=0.000000, e_0=0.000000; bond: particle_type1=CN7, particle_type2=ON6, bond_type=harmonic, k_b=240.000000, r_0=1.446000, k=0.000000, e_0=0.000000; bond: particle_type1=CN7, particle_type2=CN7, bond_type=harmonic, k_b=222.500000, r_0=1.529000, k=0.000000, e_0=0.000000; bond: particle_type1=CY, particle_type2=CPT, bond_type=harmonic, k_b=350.000000, r_0=1.440000, k=0.000000, e_0=0.000000; bond: particle_type1=CY, particle_type2=CA, bond_type=harmonic, k_b=350.000000, r_0=1.365000, k=0.000000, e_0=0.000000; bond: particle_type1=CY, particle_type2=CT2, bond_type=harmonic, k_b=230.000000, r_0=1.510000, k=0.000000, e_0=0.000000; bond: particle_type1=OC, particle_type2=CC, bond_type=harmonic, k_b=525.000000, r_0=1.260000, k=0.000000, e_0=0.000000; bond: particle_type1=OC, particle_type2=CT3, bond_type=harmonic, k_b=450.000000, r_0=1.330000, k=0.000000, e_0=0.000000; bond: particle_type1=OC, particle_type2=CA, bond_type=harmonic, k_b=525.000000, r_0=1.260000, k=0.000000, e_0=0.000000; bond: particle_type1=OC, particle_type2=CT2, bond_type=harmonic, k_b=450.000000, r_0=1.330000, k=0.000000, e_0=0.000000; bond: particle_type1=ON2b, particle_type2=P, bond_type=harmonic, k_b=270.000000, r_0=1.610000, k=0.000000, e_0=0.000000; bond: particle_type1=CN3C, particle_type2=HN6, bond_type=harmonic, k_b=374.000000, r_0=1.090000, k=0.000000, e_0=0.000000; bond: particle_type1=CN3C, particle_type2=NN2, bond_type=harmonic, k_b=420.000000, r_0=1.355000, k=0.000000, e_0=0.000000; bond: particle_type1=CN3C, particle_type2=HN3, bond_type=harmonic, k_b=374.000000, r_0=1.090000, k=0.000000, e_0=0.000000; bond: particle_type1=CN3C, particle_type2=CN3, bond_type=harmonic, k_b=420.000000, r_0=1.320000, k=0.000000, e_0=0.000000; bond: particle_type1=CN3B, particle_type2=NN2, bond_type=harmonic, k_b=420.000000, r_0=1.315000, k=0.000000, e_0=0.000000; bond: particle_type1=CN3B, particle_type2=HN3B, bond_type=harmonic, k_b=350.000000, r_0=1.090000, k=0.000000, e_0=0.000000; bond: particle_type1=CN3B, particle_type2=CN3, bond_type=harmonic, k_b=420.000000, r_0=1.350000, k=0.000000, e_0=0.000000; bond: particle_type1=CN1, particle_type2=CN3T, bond_type=harmonic, k_b=302.000000, r_0=1.403000, k=0.000000, e_0=0.000000; bond: particle_type1=CN1, particle_type2=NN2G, bond_type=harmonic, k_b=340.000000, r_0=1.396000, k=0.000000, e_0=0.000000; bond: particle_type1=CN1, particle_type2=CN5G, bond_type=harmonic, k_b=302.000000, r_0=1.360000, k=0.000000, e_0=0.000000; bond: particle_type1=CN1, particle_type2=NN3, bond_type=harmonic, k_b=350.000000, r_0=1.335000, k=0.000000, e_0=0.000000; bond: particle_type1=CN1, particle_type2=NN2, bond_type=harmonic, k_b=380.000000, r_0=1.367000, k=0.000000, e_0=0.000000; bond: particle_type1=CN1, particle_type2=CN3, bond_type=harmonic, k_b=302.000000, r_0=1.409000, k=0.000000, e_0=0.000000; bond: particle_type1=CN1, particle_type2=ON1, bond_type=harmonic, k_b=660.000000, r_0=1.234000, k=0.000000, e_0=0.000000; bond: particle_type1=CN1, particle_type2=NN2U, bond_type=harmonic, k_b=340.000000, r_0=1.389000, k=0.000000, e_0=0.000000; bond: particle_type1=CN1, particle_type2=ON1C, bond_type=harmonic, k_b=620.000000, r_0=1.245000, k=0.000000, e_0=0.000000; bond: particle_type1=CN1T, particle_type2=ON1, bond_type=harmonic, k_b=860.000000, r_0=1.230000, k=0.000000, e_0=0.000000; bond: particle_type1=CN1T, particle_type2=NN2U, bond_type=harmonic, k_b=340.000000, r_0=1.383000, k=0.000000, e_0=0.000000; bond: particle_type1=CN1T, particle_type2=NN2B, bond_type=harmonic, k_b=302.000000, r_0=1.348000, k=0.000000, e_0=0.000000; bond: particle_type1=O, particle_type2=CC, bond_type=harmonic, k_b=650.000000, r_0=1.230000, k=0.000000, e_0=0.000000; bond: particle_type1=O, particle_type2=C, bond_type=harmonic, k_b=620.000000, r_0=1.230000, k=0.000000, e_0=0.000000; bond: particle_type1=CT3, particle_type2=CPH1, bond_type=harmonic, k_b=229.630000, r_0=1.500000, k=0.000000, e_0=0.000000; bond: particle_type1=CT3, particle_type2=CC, bond_type=harmonic, k_b=200.000000, r_0=1.522000, k=0.000000, e_0=0.000000; bond: particle_type1=CT3, particle_type2=CT3, bond_type=harmonic, k_b=222.500000, r_0=1.530000, k=0.000000, e_0=0.000000; bond: particle_type1=CT3, particle_type2=CT1, bond_type=harmonic, k_b=222.500000, r_0=1.538000, k=0.000000, e_0=0.000000; bond: particle_type1=CT3, particle_type2=CT2, bond_type=harmonic, k_b=222.500000, r_0=1.528000, k=0.000000, e_0=0.000000; bond: particle_type1=CT3, particle_type2=CS, bond_type=harmonic, k_b=190.000000, r_0=1.531000, k=0.000000, e_0=0.000000; bond: particle_type1=CT3, particle_type2=CD, bond_type=harmonic, k_b=200.000000, r_0=1.522000, k=0.000000, e_0=0.000000; bond: particle_type1=CT3, particle_type2=C, bond_type=harmonic, k_b=250.000000, r_0=1.490000, k=0.000000, e_0=0.000000; bond: particle_type1=CT3, particle_type2=CPB, bond_type=harmonic, k_b=230.000000, r_0=1.490000, k=0.000000, e_0=0.000000; bond: particle_type1=CT3, particle_type2=CA, bond_type=harmonic, k_b=230.000000, r_0=1.490000, k=0.000000, e_0=0.000000; bond: particle_type1=CT1, particle_type2=CD, bond_type=harmonic, k_b=200.000000, r_0=1.522000, k=0.000000, e_0=0.000000; bond: particle_type1=CT1, particle_type2=CC, bond_type=harmonic, k_b=200.000000, r_0=1.522000, k=0.000000, e_0=0.000000; bond: particle_type1=CT1, particle_type2=CT1, bond_type=harmonic, k_b=222.500000, r_0=1.500000, k=0.000000, e_0=0.000000; bond: particle_type1=CT1, particle_type2=C, bond_type=harmonic, k_b=250.000000, r_0=1.490000, k=0.000000, e_0=0.000000; bond: particle_type1=CT2, particle_type2=CPH1, bond_type=harmonic, k_b=229.630000, r_0=1.500000, k=0.000000, e_0=0.000000; bond: particle_type1=CT2, particle_type2=CD, bond_type=harmonic, k_b=200.000000, r_0=1.522000, k=0.000000, e_0=0.000000; bond: particle_type1=CT2, particle_type2=CC, bond_type=harmonic, k_b=200.000000, r_0=1.522000, k=0.000000, e_0=0.000000; bond: particle_type1=CT2, particle_type2=CT1, bond_type=harmonic, k_b=222.500000, r_0=1.538000, k=0.000000, e_0=0.000000; bond: particle_type1=CT2, particle_type2=C, bond_type=harmonic, k_b=250.000000, r_0=1.490000, k=0.000000, e_0=0.000000; bond: particle_type1=CT2, particle_type2=CPB, bond_type=harmonic, k_b=230.000000, r_0=1.490000, k=0.000000, e_0=0.000000; bond: particle_type1=CT2, particle_type2=CA, bond_type=harmonic, k_b=230.000000, r_0=1.490000, k=0.000000, e_0=0.000000; bond: particle_type1=CT2, particle_type2=CT2, bond_type=harmonic, k_b=222.500000, r_0=1.530000, k=0.000000, e_0=0.000000; bond: particle_type1=HP, particle_type2=CY, bond_type=harmonic, k_b=350.000000, r_0=1.080000, k=0.000000, e_0=0.000000; bond: particle_type1=HP, particle_type2=CA, bond_type=harmonic, k_b=340.000000, r_0=1.080000, k=0.000000, e_0=0.000000; }; angles { angle: particle_type1=S, particle_type2=CT3, particle_type3=HA, angle_type=harmonic, k_th=46.100000, theta_0=111.300000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=S, particle_type2=CT2, particle_type3=CT3, angle_type=harmonic, k_th=58.000000, theta_0=114.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=S, particle_type2=CT2, particle_type3=CT1, angle_type=harmonic, k_th=58.000000, theta_0=112.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=S, particle_type2=CT2, particle_type3=HA, angle_type=harmonic, k_th=46.100000, theta_0=111.300000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=S, particle_type2=CT2, particle_type3=CT2, angle_type=harmonic, k_th=58.000000, theta_0=114.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=P2, particle_type2=ON2, particle_type3=P2, angle_type=harmonic, k_th=15.000000, theta_0=140.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=P2, particle_type2=ON2, particle_type3=P, angle_type=harmonic, k_th=15.000000, theta_0=140.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NY, particle_type2=CPT, particle_type3=CPT, angle_type=harmonic, k_th=110.000000, theta_0=107.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NY, particle_type2=CPT, particle_type3=CA, angle_type=harmonic, k_th=160.000000, theta_0=130.600000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NY, particle_type2=CA, particle_type3=CY, angle_type=harmonic, k_th=120.000000, theta_0=110.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NY, particle_type2=CA, particle_type3=HA, angle_type=harmonic, k_th=32.000000, theta_0=125.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NY, particle_type2=CA, particle_type3=HP, angle_type=harmonic, k_th=32.000000, theta_0=125.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NN2, particle_type2=CN3C, particle_type3=HN6, angle_type=harmonic, k_th=42.000000, theta_0=119.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NN2, particle_type2=CN5, particle_type3=NN3A, angle_type=harmonic, k_th=100.000000, theta_0=126.900000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NN2, particle_type2=CN4, particle_type3=NN4, angle_type=harmonic, k_th=100.000000, theta_0=113.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NN2, particle_type2=CN4, particle_type3=HN3, angle_type=harmonic, k_th=39.000000, theta_0=121.800000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NN2, particle_type2=CN1, particle_type3=NN3, angle_type=harmonic, k_th=50.000000, theta_0=116.800000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NN2, particle_type2=CN1, particle_type3=ON1C, angle_type=harmonic, k_th=130.000000, theta_0=119.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3, particle_type2=CN3D, particle_type3=CN9, angle_type=harmonic, k_th=40.000000, theta_0=124.200000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3, particle_type2=CN3T, particle_type3=CN9, angle_type=harmonic, k_th=38.000000, theta_0=124.600000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3, particle_type2=CN9, particle_type3=HN9, angle_type=harmonic, k_th=33.430000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3, particle_type2=NN2B, particle_type3=HN2, angle_type=harmonic, k_th=32.000000, theta_0=116.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3, particle_type2=NN2B, particle_type3=CN7B, angle_type=harmonic, k_th=45.000000, theta_0=119.600000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3, particle_type2=NN2B, particle_type3=CN9, angle_type=harmonic, k_th=70.000000, theta_0=122.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3, particle_type2=NN2, particle_type3=HN2, angle_type=harmonic, k_th=37.000000, theta_0=114.700000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3, particle_type2=NN2, particle_type3=CN7B, angle_type=harmonic, k_th=45.000000, theta_0=115.900000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3, particle_type2=NN2, particle_type3=CN9, angle_type=harmonic, k_th=70.000000, theta_0=120.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3, particle_type2=CN3A, particle_type3=HN3B, angle_type=harmonic, k_th=80.000000, theta_0=121.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3, particle_type2=CN3A, particle_type3=CN3, angle_type=harmonic, k_th=50.000000, theta_0=118.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3, particle_type2=CN3, particle_type3=CN8, angle_type=harmonic, k_th=53.500000, theta_0=108.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3, particle_type2=CN3, particle_type3=NN2B, angle_type=harmonic, k_th=100.000000, theta_0=123.600000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3, particle_type2=CN3, particle_type3=NN2, angle_type=harmonic, k_th=85.000000, theta_0=122.900000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3, particle_type2=CN3, particle_type3=HN3, angle_type=harmonic, k_th=38.000000, theta_0=122.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3, particle_type2=CN3C, particle_type3=NN2, angle_type=harmonic, k_th=60.000000, theta_0=122.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3, particle_type2=CN3C, particle_type3=HN3, angle_type=harmonic, k_th=42.000000, theta_0=119.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3, particle_type2=CN2, particle_type3=NN3, angle_type=harmonic, k_th=85.000000, theta_0=119.300000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3, particle_type2=CN2, particle_type3=NN1, angle_type=harmonic, k_th=81.000000, theta_0=118.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3, particle_type2=CN8, particle_type3=HN8, angle_type=harmonic, k_th=55.000000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3, particle_type2=CN8, particle_type3=CN3, angle_type=harmonic, k_th=125.000000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3, particle_type2=CN3B, particle_type3=NN2, angle_type=harmonic, k_th=120.000000, theta_0=122.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3, particle_type2=CN3B, particle_type3=HN3B, angle_type=harmonic, k_th=80.000000, theta_0=120.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3, particle_type2=CN1, particle_type3=ON1, angle_type=harmonic, k_th=100.000000, theta_0=125.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3, particle_type2=CN1A, particle_type3=ON1, angle_type=harmonic, k_th=85.000000, theta_0=118.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3, particle_type2=CN1A, particle_type3=NN1, angle_type=harmonic, k_th=85.000000, theta_0=113.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OB, particle_type2=CD, particle_type3=CP1, angle_type=harmonic, k_th=70.000000, theta_0=125.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OB, particle_type2=CD, particle_type3=CT3, angle_type=harmonic, k_th=70.000000, theta_0=125.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OB, particle_type2=CD, particle_type3=CT1, angle_type=harmonic, k_th=70.000000, theta_0=125.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OB, particle_type2=CD, particle_type3=CT2, angle_type=harmonic, k_th=70.000000, theta_0=125.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HT, particle_type2=OT, particle_type3=HT, angle_type=harmonic, k_th=55.000000, theta_0=104.520000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NN2U, particle_type2=CN1, particle_type3=ON1, angle_type=harmonic, k_th=100.000000, theta_0=121.900000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NN2U, particle_type2=CN1, particle_type3=CN3, angle_type=harmonic, k_th=70.000000, theta_0=112.600000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NN2U, particle_type2=CN1T, particle_type3=ON1, angle_type=harmonic, k_th=100.000000, theta_0=124.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OH1, particle_type2=CD, particle_type3=CT3, angle_type=harmonic, k_th=55.000000, theta_0=110.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OH1, particle_type2=CD, particle_type3=OB, angle_type=harmonic, k_th=50.000000, theta_0=123.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OH1, particle_type2=CD, particle_type3=CT2, angle_type=harmonic, k_th=55.000000, theta_0=110.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OH1, particle_type2=CT3, particle_type3=HA, angle_type=harmonic, k_th=45.900000, theta_0=108.890000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OH1, particle_type2=CT1, particle_type3=CT3, angle_type=harmonic, k_th=75.700000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OH1, particle_type2=CT1, particle_type3=CT1, angle_type=harmonic, k_th=75.700000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OH1, particle_type2=CT1, particle_type3=HA, angle_type=harmonic, k_th=45.900000, theta_0=108.890000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OH1, particle_type2=CA, particle_type3=CA, angle_type=harmonic, k_th=45.200000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OH1, particle_type2=CT2, particle_type3=CT3, angle_type=harmonic, k_th=75.700000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OH1, particle_type2=CT2, particle_type3=CT1, angle_type=harmonic, k_th=75.700000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OH1, particle_type2=CT2, particle_type3=HA, angle_type=harmonic, k_th=45.900000, theta_0=108.890000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OH1, particle_type2=CT2, particle_type3=CT2, angle_type=harmonic, k_th=75.700000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CP2, particle_type2=CP1, particle_type3=CD, angle_type=harmonic, k_th=50.000000, theta_0=112.300000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CP2, particle_type2=CP1, particle_type3=CC, angle_type=harmonic, k_th=52.000000, theta_0=112.300000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CP2, particle_type2=CP1, particle_type3=C, angle_type=harmonic, k_th=52.000000, theta_0=112.300000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CP2, particle_type2=CP2, particle_type3=CP1, angle_type=harmonic, k_th=70.000000, theta_0=108.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON6B, particle_type2=CN7B, particle_type3=NR1, angle_type=harmonic, k_th=140.000000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON6B, particle_type2=CN7B, particle_type3=CN7B, angle_type=harmonic, k_th=90.000000, theta_0=106.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON6B, particle_type2=CN7B, particle_type3=NN2B, angle_type=harmonic, k_th=110.000000, theta_0=112.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON6B, particle_type2=CN7B, particle_type3=NN2, angle_type=harmonic, k_th=110.000000, theta_0=112.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON6B, particle_type2=CN7, particle_type3=CN8B, angle_type=harmonic, k_th=90.000000, theta_0=108.200000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NR2, particle_type2=CPH1, particle_type3=CPH1, angle_type=harmonic, k_th=130.000000, theta_0=110.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NR2, particle_type2=CPH1, particle_type3=HR3, angle_type=harmonic, k_th=25.000000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NR2, particle_type2=CPH1, particle_type3=CT2, angle_type=harmonic, k_th=45.800000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NR2, particle_type2=CPH2, particle_type3=NR1, angle_type=harmonic, k_th=130.000000, theta_0=112.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NR2, particle_type2=CPH2, particle_type3=HR1, angle_type=harmonic, k_th=25.000000, theta_0=125.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NR2, particle_type2=FE, particle_type3=CM, angle_type=harmonic, k_th=50.000000, theta_0=180.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NR2, particle_type2=FE, particle_type3=NPH, angle_type=harmonic, k_th=50.000000, theta_0=90.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=SS, particle_type2=CS, particle_type3=CT3, angle_type=harmonic, k_th=55.000000, theta_0=118.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=SS, particle_type2=CS, particle_type3=HA, angle_type=harmonic, k_th=40.000000, theta_0=112.300000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN6, particle_type2=CN3C, particle_type3=CN3, angle_type=harmonic, k_th=42.000000, theta_0=119.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN6, particle_type2=CN3, particle_type3=CN8, angle_type=harmonic, k_th=30.000000, theta_0=116.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NR1, particle_type2=CPH1, particle_type3=CPH1, angle_type=harmonic, k_th=130.000000, theta_0=106.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NR1, particle_type2=CPH1, particle_type3=CT3, angle_type=harmonic, k_th=45.800000, theta_0=124.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NR1, particle_type2=CPH1, particle_type3=HR3, angle_type=harmonic, k_th=25.000000, theta_0=124.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NR1, particle_type2=CPH1, particle_type3=CT2, angle_type=harmonic, k_th=45.800000, theta_0=124.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NR1, particle_type2=CPH2, particle_type3=HR1, angle_type=harmonic, k_th=25.000000, theta_0=122.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN4, particle_type2=ON4, particle_type3=P, angle_type=harmonic, k_th=30.000000, theta_0=115.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON2, particle_type2=P2, particle_type3=ON3, angle_type=harmonic, k_th=88.900000, theta_0=111.600000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON2, particle_type2=P2, particle_type3=ON2, angle_type=harmonic, k_th=80.000000, theta_0=104.300000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON2, particle_type2=P, particle_type3=ON3, angle_type=harmonic, k_th=98.900000, theta_0=111.600000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON2, particle_type2=P, particle_type3=ON4, angle_type=harmonic, k_th=48.100000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON2, particle_type2=P, particle_type3=ON2, angle_type=harmonic, k_th=80.000000, theta_0=104.300000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON2, particle_type2=CN7, particle_type3=CN7B, angle_type=harmonic, k_th=90.000000, theta_0=110.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CP1, particle_type2=N, particle_type3=C, angle_type=harmonic, k_th=60.000000, theta_0=117.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON4, particle_type2=P, particle_type3=ON4, angle_type=harmonic, k_th=98.900000, theta_0=104.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON4, particle_type2=P, particle_type3=ON2b, angle_type=harmonic, k_th=48.100000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON5, particle_type2=CN7C, particle_type3=CN7B, angle_type=harmonic, k_th=80.000000, theta_0=108.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON5, particle_type2=CN7C, particle_type3=CN7, angle_type=harmonic, k_th=90.000000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON5, particle_type2=CN7B, particle_type3=CN7B, angle_type=harmonic, k_th=80.000000, theta_0=108.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON5, particle_type2=CN7B, particle_type3=CN7, angle_type=harmonic, k_th=90.000000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON5, particle_type2=P, particle_type3=ON3, angle_type=harmonic, k_th=98.900000, theta_0=111.600000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON5, particle_type2=CN7, particle_type3=CN7C, angle_type=harmonic, k_th=75.700000, theta_0=110.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON5, particle_type2=CN7, particle_type3=CN7B, angle_type=harmonic, k_th=90.000000, theta_0=110.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON5, particle_type2=CN7, particle_type3=CN8, angle_type=harmonic, k_th=75.700000, theta_0=110.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON5, particle_type2=CN7, particle_type3=CN7, angle_type=harmonic, k_th=75.700000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CE1, particle_type2=CE1, particle_type3=CT3, angle_type=harmonic, k_th=48.000000, theta_0=123.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CE1, particle_type2=CT2, particle_type3=CT3, angle_type=harmonic, k_th=32.000000, theta_0=112.200000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN8, particle_type2=CN8, particle_type3=CN8, angle_type=harmonic, k_th=34.530000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN8, particle_type2=CN8, particle_type3=ON5, angle_type=harmonic, k_th=45.900000, theta_0=108.890000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN8, particle_type2=CN8, particle_type3=NN2B, angle_type=harmonic, k_th=33.430000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN8, particle_type2=CN8, particle_type3=HN8, angle_type=harmonic, k_th=35.500000, theta_0=109.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN8, particle_type2=CN8, particle_type3=NN2, angle_type=harmonic, k_th=33.430000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN8, particle_type2=CN8, particle_type3=ON2, angle_type=harmonic, k_th=60.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN8, particle_type2=CN8, particle_type3=CN7, angle_type=harmonic, k_th=34.530000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN8, particle_type2=CN8B, particle_type3=ON5, angle_type=harmonic, k_th=45.900000, theta_0=108.890000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN8, particle_type2=CN8B, particle_type3=HN8, angle_type=harmonic, k_th=35.500000, theta_0=109.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN8, particle_type2=CN8B, particle_type3=CN7, angle_type=harmonic, k_th=34.530000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN8, particle_type2=CN8B, particle_type3=ON2, angle_type=harmonic, k_th=60.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3D, particle_type2=CN2, particle_type3=NN3, angle_type=harmonic, k_th=30.000000, theta_0=121.300000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3D, particle_type2=CN2, particle_type3=NN1, angle_type=harmonic, k_th=110.000000, theta_0=116.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3D, particle_type2=CN9, particle_type3=HN9, angle_type=harmonic, k_th=33.430000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3D, particle_type2=CN3, particle_type3=NN2, angle_type=harmonic, k_th=100.000000, theta_0=124.200000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3D, particle_type2=CN3, particle_type3=HN3, angle_type=harmonic, k_th=30.000000, theta_0=122.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3T, particle_type2=CN9, particle_type3=HN9, angle_type=harmonic, k_th=33.430000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3T, particle_type2=CN1, particle_type3=ON1, angle_type=harmonic, k_th=100.000000, theta_0=124.600000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3T, particle_type2=CN1, particle_type3=NN2U, angle_type=harmonic, k_th=70.000000, theta_0=113.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3T, particle_type2=CN3, particle_type3=NN2B, angle_type=harmonic, k_th=120.000000, theta_0=123.600000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3T, particle_type2=CN3, particle_type3=HN3, angle_type=harmonic, k_th=30.000000, theta_0=122.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN9, particle_type2=CN8, particle_type3=HN8, angle_type=harmonic, k_th=34.600000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN9, particle_type2=ON2, particle_type3=P2, angle_type=harmonic, k_th=20.000000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN9, particle_type2=ON2, particle_type3=P, angle_type=harmonic, k_th=20.000000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NN4, particle_type2=CN4, particle_type3=HN3, angle_type=harmonic, k_th=39.000000, theta_0=124.800000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HB, particle_type2=CP1, particle_type3=CD, angle_type=harmonic, k_th=50.000000, theta_0=112.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HB, particle_type2=CP1, particle_type3=CC, angle_type=harmonic, k_th=50.000000, theta_0=112.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HB, particle_type2=CP1, particle_type3=CP2, angle_type=harmonic, k_th=35.000000, theta_0=118.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HB, particle_type2=CP1, particle_type3=C, angle_type=harmonic, k_th=50.000000, theta_0=112.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HB, particle_type2=CT3, particle_type3=C, angle_type=harmonic, k_th=50.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HB, particle_type2=CT1, particle_type3=CD, angle_type=harmonic, k_th=50.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HB, particle_type2=CT1, particle_type3=CC, angle_type=harmonic, k_th=50.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HB, particle_type2=CT1, particle_type3=CT3, angle_type=harmonic, k_th=35.000000, theta_0=111.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HB, particle_type2=CT1, particle_type3=CT1, angle_type=harmonic, k_th=35.000000, theta_0=111.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HB, particle_type2=CT1, particle_type3=C, angle_type=harmonic, k_th=50.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HB, particle_type2=CT1, particle_type3=CT2, angle_type=harmonic, k_th=35.000000, theta_0=111.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HB, particle_type2=CT2, particle_type3=CD, angle_type=harmonic, k_th=50.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HB, particle_type2=CT2, particle_type3=CC, angle_type=harmonic, k_th=50.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HB, particle_type2=CT2, particle_type3=HB, angle_type=harmonic, k_th=36.000000, theta_0=115.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HB, particle_type2=CT2, particle_type3=C, angle_type=harmonic, k_th=50.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NN3, particle_type2=CN2, particle_type3=NN1, angle_type=harmonic, k_th=81.000000, theta_0=122.300000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NN3, particle_type2=CN1, particle_type3=ON1C, angle_type=harmonic, k_th=130.000000, theta_0=123.800000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HR3, particle_type2=CPH1, particle_type3=CPH1, angle_type=harmonic, k_th=25.000000, theta_0=130.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3A, particle_type2=CN3, particle_type3=CN3B, angle_type=harmonic, k_th=40.000000, theta_0=118.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3A, particle_type2=CN3, particle_type3=CN1A, angle_type=harmonic, k_th=40.000000, theta_0=110.200000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3A, particle_type2=CN3, particle_type3=HN3B, angle_type=harmonic, k_th=30.000000, theta_0=119.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CPA, particle_type2=NPH, particle_type3=CPA, angle_type=harmonic, k_th=139.300000, theta_0=103.900000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CPA, particle_type2=CPB, particle_type3=C, angle_type=harmonic, k_th=70.000000, theta_0=126.740000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CPA, particle_type2=CPM, particle_type3=CPA, angle_type=harmonic, k_th=94.200000, theta_0=125.120000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NN3A, particle_type2=CN2, particle_type3=NN1, angle_type=harmonic, k_th=50.000000, theta_0=130.700000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NN3A, particle_type2=CN4, particle_type3=NN3A, angle_type=harmonic, k_th=60.000000, theta_0=133.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN7B, particle_type2=CN7C, particle_type3=HN7, angle_type=harmonic, k_th=33.400000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN7B, particle_type2=CN7C, particle_type3=CN7, angle_type=harmonic, k_th=80.000000, theta_0=100.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN7B, particle_type2=NR1, particle_type3=CPH1, angle_type=harmonic, k_th=130.000000, theta_0=126.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN7B, particle_type2=NR1, particle_type3=CPH2, angle_type=harmonic, k_th=130.000000, theta_0=127.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN7B, particle_type2=CN8, particle_type3=HN8, angle_type=harmonic, k_th=33.400000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN7B, particle_type2=CN8, particle_type3=CN7, angle_type=harmonic, k_th=80.000000, theta_0=100.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN7B, particle_type2=CN7B, particle_type3=NR1, angle_type=harmonic, k_th=140.000000, theta_0=113.700000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN7B, particle_type2=CN7B, particle_type3=NN2B, angle_type=harmonic, k_th=110.000000, theta_0=111.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN7B, particle_type2=CN7B, particle_type3=HN7, angle_type=harmonic, k_th=33.400000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN7B, particle_type2=CN7B, particle_type3=NN2, angle_type=harmonic, k_th=110.000000, theta_0=111.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN7B, particle_type2=CN7B, particle_type3=ON2, angle_type=harmonic, k_th=115.000000, theta_0=109.700000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN7B, particle_type2=CN7B, particle_type3=CN7, angle_type=harmonic, k_th=110.000000, theta_0=96.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN7B, particle_type2=ON2, particle_type3=P, angle_type=harmonic, k_th=20.000000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN7B, particle_type2=CN7, particle_type3=CN8, angle_type=harmonic, k_th=58.350000, theta_0=113.600000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN7B, particle_type2=CN7, particle_type3=CN7, angle_type=harmonic, k_th=60.000000, theta_0=100.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN1A, particle_type2=NN1, particle_type3=HN1, angle_type=harmonic, k_th=35.000000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN1A, particle_type2=CN3, particle_type3=CN3C, angle_type=harmonic, k_th=5.000000, theta_0=107.800000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN1A, particle_type2=CN3, particle_type3=CN8, angle_type=harmonic, k_th=125.000000, theta_0=124.200000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NN3I, particle_type2=CN4, particle_type3=NN2G, angle_type=harmonic, k_th=80.000000, theta_0=127.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=FE, particle_type2=NR2, particle_type3=CPH1, angle_type=harmonic, k_th=30.000000, theta_0=133.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=FE, particle_type2=NR2, particle_type3=CPH2, angle_type=harmonic, k_th=30.000000, theta_0=123.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=FE, particle_type2=NPH, particle_type3=CPA, angle_type=harmonic, k_th=96.150000, theta_0=128.050000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CA, particle_type2=ON2b, particle_type3=P, angle_type=harmonic, k_th=90.000000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CA, particle_type2=CA, particle_type3=ON2b, angle_type=harmonic, k_th=75.000000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CA, particle_type2=CA, particle_type3=CA, angle_type=harmonic, k_th=40.000000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NN2G, particle_type2=CN2, particle_type3=NN3G, angle_type=harmonic, k_th=70.000000, theta_0=122.200000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NN2G, particle_type2=CN1, particle_type3=ON1, angle_type=harmonic, k_th=50.000000, theta_0=127.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN5, particle_type2=CN2, particle_type3=NN3A, angle_type=harmonic, k_th=60.000000, theta_0=110.700000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN5, particle_type2=CN2, particle_type3=NN1, angle_type=harmonic, k_th=50.000000, theta_0=118.600000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN5, particle_type2=CN5, particle_type3=NN3A, angle_type=harmonic, k_th=60.000000, theta_0=127.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN5, particle_type2=CN5, particle_type3=NN4, angle_type=harmonic, k_th=100.000000, theta_0=110.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN5, particle_type2=CN5, particle_type3=NN2, angle_type=harmonic, k_th=100.000000, theta_0=105.700000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN5, particle_type2=NN2B, particle_type3=HN2, angle_type=harmonic, k_th=30.000000, theta_0=129.300000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN5, particle_type2=NN2B, particle_type3=CN7B, angle_type=harmonic, k_th=45.000000, theta_0=126.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN5, particle_type2=NN2B, particle_type3=CN8, angle_type=harmonic, k_th=70.000000, theta_0=125.900000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN5, particle_type2=NN2B, particle_type3=CN9, angle_type=harmonic, k_th=70.000000, theta_0=125.900000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN5, particle_type2=CN5G, particle_type3=NN4, angle_type=harmonic, k_th=100.000000, theta_0=111.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN5, particle_type2=NN2, particle_type3=HN2, angle_type=harmonic, k_th=30.000000, theta_0=129.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN5, particle_type2=NN2, particle_type3=CN7B, angle_type=harmonic, k_th=45.000000, theta_0=126.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN5, particle_type2=NN2, particle_type3=CN9, angle_type=harmonic, k_th=70.000000, theta_0=125.900000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN4, particle_type2=NN3A, particle_type3=CN5, angle_type=harmonic, k_th=90.000000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN4, particle_type2=NN2G, particle_type3=HN2, angle_type=harmonic, k_th=40.500000, theta_0=117.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN4, particle_type2=NN2B, particle_type3=HN2, angle_type=harmonic, k_th=30.000000, theta_0=124.600000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN4, particle_type2=NN2B, particle_type3=CN7B, angle_type=harmonic, k_th=45.000000, theta_0=126.300000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN4, particle_type2=NN2B, particle_type3=CN8, angle_type=harmonic, k_th=70.000000, theta_0=126.900000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN4, particle_type2=NN2B, particle_type3=CN9, angle_type=harmonic, k_th=70.000000, theta_0=126.900000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN4, particle_type2=NN2B, particle_type3=CN5, angle_type=harmonic, k_th=100.000000, theta_0=107.200000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN4, particle_type2=NN4, particle_type3=CN5, angle_type=harmonic, k_th=120.000000, theta_0=104.600000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN4, particle_type2=NN4, particle_type3=CN5G, angle_type=harmonic, k_th=120.000000, theta_0=103.800000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN4, particle_type2=NN3I, particle_type3=CN5, angle_type=harmonic, k_th=90.000000, theta_0=108.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN4, particle_type2=NN2, particle_type3=HN2, angle_type=harmonic, k_th=30.000000, theta_0=125.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN4, particle_type2=NN2, particle_type3=CN7B, angle_type=harmonic, k_th=45.000000, theta_0=127.600000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN4, particle_type2=NN2, particle_type3=CN9, angle_type=harmonic, k_th=70.000000, theta_0=127.800000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN4, particle_type2=NN2, particle_type3=CN5, angle_type=harmonic, k_th=100.000000, theta_0=106.300000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN5G, particle_type2=CN5, particle_type3=NN2B, angle_type=harmonic, k_th=100.000000, theta_0=104.600000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN5G, particle_type2=CN5, particle_type3=NN3G, angle_type=harmonic, k_th=70.000000, theta_0=129.900000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN5G, particle_type2=CN5, particle_type3=NN3I, angle_type=harmonic, k_th=100.000000, theta_0=127.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN5G, particle_type2=CN1, particle_type3=ON1, angle_type=harmonic, k_th=50.000000, theta_0=124.700000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN5G, particle_type2=CN1, particle_type3=NN2G, angle_type=harmonic, k_th=70.000000, theta_0=107.800000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CPH2, particle_type2=NR1, particle_type3=CPH1, angle_type=harmonic, k_th=130.000000, theta_0=107.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CPH2, particle_type2=NR2, particle_type3=CPH1, angle_type=harmonic, k_th=130.000000, theta_0=104.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CPH2, particle_type2=NR3, particle_type3=CPH1, angle_type=harmonic, k_th=145.000000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HS, particle_type2=S, particle_type3=CT3, angle_type=harmonic, k_th=43.000000, theta_0=95.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HS, particle_type2=S, particle_type3=CT2, angle_type=harmonic, k_th=38.800000, theta_0=95.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=P, particle_type2=ON2, particle_type3=P, angle_type=harmonic, k_th=15.000000, theta_0=140.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN7, particle_type2=CN7C, particle_type3=ON5, angle_type=harmonic, k_th=60.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN7, particle_type2=CN7C, particle_type3=HN7, angle_type=harmonic, k_th=35.500000, theta_0=109.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN7, particle_type2=CN7C, particle_type3=CN7, angle_type=harmonic, k_th=34.530000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN7, particle_type2=CN7B, particle_type3=NR1, angle_type=harmonic, k_th=30.000000, theta_0=106.300000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN7, particle_type2=CN7B, particle_type3=NN2B, angle_type=harmonic, k_th=43.000000, theta_0=111.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN7, particle_type2=CN7B, particle_type3=HN7, angle_type=harmonic, k_th=35.500000, theta_0=109.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN7, particle_type2=CN7B, particle_type3=NN2, angle_type=harmonic, k_th=43.000000, theta_0=111.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN7, particle_type2=CN7B, particle_type3=ON2, angle_type=harmonic, k_th=60.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN7, particle_type2=CN7B, particle_type3=ON5, angle_type=harmonic, k_th=60.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN7, particle_type2=CN7B, particle_type3=ON6B, angle_type=harmonic, k_th=45.200000, theta_0=107.240000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN7, particle_type2=CN7B, particle_type3=ON6, angle_type=harmonic, k_th=45.200000, theta_0=107.240000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN7, particle_type2=CN7B, particle_type3=CN7, angle_type=harmonic, k_th=34.530000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN7, particle_type2=CN7, particle_type3=HN7, angle_type=harmonic, k_th=35.500000, theta_0=109.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN7, particle_type2=CN7, particle_type3=ON2, angle_type=harmonic, k_th=60.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN7, particle_type2=CN7, particle_type3=CN7C, angle_type=harmonic, k_th=34.500000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN7, particle_type2=CN7, particle_type3=CN7B, angle_type=harmonic, k_th=34.530000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN7, particle_type2=CN7, particle_type3=ON5, angle_type=harmonic, k_th=60.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN7, particle_type2=CN7, particle_type3=CN8, angle_type=harmonic, k_th=34.500000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN7, particle_type2=CN7, particle_type3=ON6B, angle_type=harmonic, k_th=45.200000, theta_0=107.240000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN7, particle_type2=CN7, particle_type3=CN8B, angle_type=harmonic, k_th=34.500000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN7, particle_type2=CN7, particle_type3=ON6, angle_type=harmonic, k_th=45.200000, theta_0=107.240000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN7, particle_type2=CN7, particle_type3=CN7, angle_type=harmonic, k_th=40.000000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NN1, particle_type2=CN2, particle_type3=NN2G, angle_type=harmonic, k_th=95.000000, theta_0=115.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NN1, particle_type2=CN2, particle_type3=NN3G, angle_type=harmonic, k_th=95.000000, theta_0=122.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NN1, particle_type2=CN1A, particle_type3=ON1, angle_type=harmonic, k_th=85.000000, theta_0=128.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HE1, particle_type2=CE1, particle_type3=CT3, angle_type=harmonic, k_th=22.000000, theta_0=117.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HE1, particle_type2=CE1, particle_type3=CE1, angle_type=harmonic, k_th=52.000000, theta_0=119.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HE1, particle_type2=CE1, particle_type3=CE2, angle_type=harmonic, k_th=42.000000, theta_0=118.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HE1, particle_type2=CE1, particle_type3=CT2, angle_type=harmonic, k_th=40.000000, theta_0=116.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NP, particle_type2=CP1, particle_type3=CD, angle_type=harmonic, k_th=50.000000, theta_0=106.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NP, particle_type2=CP1, particle_type3=CC, angle_type=harmonic, k_th=50.000000, theta_0=106.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NP, particle_type2=CP1, particle_type3=CP2, angle_type=harmonic, k_th=70.000000, theta_0=108.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NP, particle_type2=CP1, particle_type3=HB, angle_type=harmonic, k_th=51.500000, theta_0=107.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NP, particle_type2=CP1, particle_type3=C, angle_type=harmonic, k_th=50.000000, theta_0=106.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NP, particle_type2=CP3, particle_type3=CP2, angle_type=harmonic, k_th=70.000000, theta_0=108.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NP, particle_type2=CP3, particle_type3=HA, angle_type=harmonic, k_th=51.500000, theta_0=109.150000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CE2, particle_type2=CE1, particle_type3=CT3, angle_type=harmonic, k_th=47.000000, theta_0=125.200000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CE2, particle_type2=CE1, particle_type3=CT2, angle_type=harmonic, k_th=48.000000, theta_0=126.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NR3, particle_type2=CPH1, particle_type3=CPH1, angle_type=harmonic, k_th=145.000000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NR3, particle_type2=CPH1, particle_type3=HR1, angle_type=harmonic, k_th=22.000000, theta_0=122.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NR3, particle_type2=CPH1, particle_type3=CT2, angle_type=harmonic, k_th=45.800000, theta_0=122.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NR3, particle_type2=CPH2, particle_type3=HR2, angle_type=harmonic, k_th=32.000000, theta_0=126.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NR3, particle_type2=CPH2, particle_type3=NR3, angle_type=harmonic, k_th=145.000000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NC2, particle_type2=CT3, particle_type3=HA, angle_type=harmonic, k_th=51.500000, theta_0=107.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NC2, particle_type2=C, particle_type3=NC2, angle_type=harmonic, k_th=52.000000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NC2, particle_type2=CT2, particle_type3=HA, angle_type=harmonic, k_th=51.500000, theta_0=107.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NC2, particle_type2=CT2, particle_type3=CT2, angle_type=harmonic, k_th=67.700000, theta_0=107.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=SM, particle_type2=CT3, particle_type3=HA, angle_type=harmonic, k_th=38.000000, theta_0=111.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=SM, particle_type2=SM, particle_type3=CT3, angle_type=harmonic, k_th=72.500000, theta_0=103.300000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=SM, particle_type2=SM, particle_type3=CT2, angle_type=harmonic, k_th=72.500000, theta_0=103.300000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=SM, particle_type2=CT2, particle_type3=CT1, angle_type=harmonic, k_th=58.000000, theta_0=112.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=SM, particle_type2=CT2, particle_type3=HA, angle_type=harmonic, k_th=38.000000, theta_0=111.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN9, particle_type2=CN9, particle_type3=NN2B, angle_type=harmonic, k_th=33.430000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN9, particle_type2=CN9, particle_type3=HN9, angle_type=harmonic, k_th=35.500000, theta_0=108.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN9, particle_type2=CN9, particle_type3=NN2, angle_type=harmonic, k_th=33.430000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN9, particle_type2=CN9, particle_type3=ON2, angle_type=harmonic, k_th=60.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HE2, particle_type2=CE2, particle_type3=CE1, angle_type=harmonic, k_th=45.000000, theta_0=120.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HE2, particle_type2=CE2, particle_type3=HE2, angle_type=harmonic, k_th=19.000000, theta_0=119.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HE2, particle_type2=CE2, particle_type3=CE2, angle_type=harmonic, k_th=55.500000, theta_0=120.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN3, particle_type2=CN3C, particle_type3=NN2, angle_type=harmonic, k_th=42.000000, theta_0=119.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN3, particle_type2=CN4, particle_type3=NN3A, angle_type=harmonic, k_th=38.000000, theta_0=113.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN3, particle_type2=CN4, particle_type3=NN2G, angle_type=harmonic, k_th=35.000000, theta_0=115.750000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN3, particle_type2=CN4, particle_type3=NN2B, angle_type=harmonic, k_th=40.000000, theta_0=122.200000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN3, particle_type2=CN4, particle_type3=NN3I, angle_type=harmonic, k_th=35.000000, theta_0=116.750000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN3, particle_type2=CN3, particle_type3=NN2B, angle_type=harmonic, k_th=30.000000, theta_0=114.300000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN3, particle_type2=CN3, particle_type3=NN2, angle_type=harmonic, k_th=44.000000, theta_0=115.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON3, particle_type2=P2, particle_type3=ON3, angle_type=harmonic, k_th=104.000000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON3, particle_type2=P, particle_type3=ON3, angle_type=harmonic, k_th=120.000000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON3, particle_type2=P, particle_type3=ON4, angle_type=harmonic, k_th=98.900000, theta_0=108.230000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON3, particle_type2=P, particle_type3=ON2b, angle_type=harmonic, k_th=98.900000, theta_0=103.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN1, particle_type2=NN1, particle_type3=HN1, angle_type=harmonic, k_th=31.000000, theta_0=117.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN1, particle_type2=NN5, particle_type3=HN1, angle_type=harmonic, k_th=39.000000, theta_0=106.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=N, particle_type2=CP1, particle_type3=CD, angle_type=harmonic, k_th=50.000000, theta_0=108.200000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=N, particle_type2=CP1, particle_type3=CC, angle_type=harmonic, k_th=50.000000, theta_0=108.200000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=N, particle_type2=CP1, particle_type3=CP2, angle_type=harmonic, k_th=70.000000, theta_0=110.800000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=N, particle_type2=CP1, particle_type3=HB, angle_type=harmonic, k_th=48.000000, theta_0=112.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=N, particle_type2=CP1, particle_type3=C, angle_type=harmonic, k_th=50.000000, theta_0=108.200000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=N, particle_type2=CP3, particle_type3=CP2, angle_type=harmonic, k_th=70.000000, theta_0=110.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=N, particle_type2=CP3, particle_type3=HA, angle_type=harmonic, k_th=48.000000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=N, particle_type2=C, particle_type3=CP1, angle_type=harmonic, k_th=20.000000, theta_0=112.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=N, particle_type2=C, particle_type3=CT3, angle_type=harmonic, k_th=20.000000, theta_0=112.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=N, particle_type2=C, particle_type3=CT1, angle_type=harmonic, k_th=20.000000, theta_0=112.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=N, particle_type2=C, particle_type3=CT2, angle_type=harmonic, k_th=20.000000, theta_0=112.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH3, particle_type2=CT3, particle_type3=HA, angle_type=harmonic, k_th=45.000000, theta_0=107.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH3, particle_type2=CT1, particle_type3=CC, angle_type=harmonic, k_th=43.700000, theta_0=110.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH3, particle_type2=CT1, particle_type3=CT3, angle_type=harmonic, k_th=67.700000, theta_0=110.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH3, particle_type2=CT1, particle_type3=HB, angle_type=harmonic, k_th=51.500000, theta_0=107.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH3, particle_type2=CT1, particle_type3=CT1, angle_type=harmonic, k_th=67.700000, theta_0=110.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH3, particle_type2=CT1, particle_type3=C, angle_type=harmonic, k_th=43.700000, theta_0=110.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH3, particle_type2=CT1, particle_type3=CT2, angle_type=harmonic, k_th=67.700000, theta_0=110.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH3, particle_type2=CT2, particle_type3=CD, angle_type=harmonic, k_th=43.700000, theta_0=110.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH3, particle_type2=CT2, particle_type3=CC, angle_type=harmonic, k_th=43.700000, theta_0=110.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH3, particle_type2=CT2, particle_type3=HB, angle_type=harmonic, k_th=51.500000, theta_0=107.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH3, particle_type2=CT2, particle_type3=C, angle_type=harmonic, k_th=43.700000, theta_0=110.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH3, particle_type2=CT2, particle_type3=HA, angle_type=harmonic, k_th=45.000000, theta_0=107.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH3, particle_type2=CT2, particle_type3=CT2, angle_type=harmonic, k_th=67.700000, theta_0=110.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CPM, particle_type2=CPA, particle_type3=CPB, angle_type=harmonic, k_th=61.600000, theta_0=124.070000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN2, particle_type2=CN3D, particle_type3=CN9, angle_type=harmonic, k_th=40.000000, theta_0=118.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN2, particle_type2=CN3D, particle_type3=CN3, angle_type=harmonic, k_th=100.000000, theta_0=117.800000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN2, particle_type2=NN3A, particle_type3=CN4, angle_type=harmonic, k_th=90.000000, theta_0=117.800000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN2, particle_type2=NN2G, particle_type3=HN2, angle_type=harmonic, k_th=45.000000, theta_0=115.600000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN2, particle_type2=CN5, particle_type3=CN5, angle_type=harmonic, k_th=60.000000, theta_0=121.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN2, particle_type2=CN5, particle_type3=NN4, angle_type=harmonic, k_th=100.000000, theta_0=129.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN2, particle_type2=NN3G, particle_type3=CN5, angle_type=harmonic, k_th=90.000000, theta_0=109.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN2, particle_type2=NN1, particle_type3=HN1, angle_type=harmonic, k_th=40.000000, theta_0=121.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN2, particle_type2=CN3, particle_type3=HN3, angle_type=harmonic, k_th=38.000000, theta_0=120.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN2, particle_type2=CN3, particle_type3=CN3, angle_type=harmonic, k_th=85.000000, theta_0=117.800000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN8, particle_type2=CN9, particle_type3=HN9, angle_type=harmonic, k_th=34.600000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN8, particle_type2=CN7B, particle_type3=NR1, angle_type=harmonic, k_th=140.000000, theta_0=113.700000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN8, particle_type2=CN7B, particle_type3=NN2B, angle_type=harmonic, k_th=110.000000, theta_0=113.700000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN8, particle_type2=CN7B, particle_type3=HN7, angle_type=harmonic, k_th=33.400000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN8, particle_type2=CN7B, particle_type3=NN2, angle_type=harmonic, k_th=110.000000, theta_0=113.700000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN8, particle_type2=ON2, particle_type3=P, angle_type=harmonic, k_th=20.000000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN8, particle_type2=CN7, particle_type3=ON2, angle_type=harmonic, k_th=115.000000, theta_0=109.700000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN8, particle_type2=CN7, particle_type3=CN7, angle_type=harmonic, k_th=60.000000, theta_0=102.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN8, particle_type2=CN3, particle_type3=HN3, angle_type=harmonic, k_th=30.000000, theta_0=116.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OS, particle_type2=CD, particle_type3=CP1, angle_type=harmonic, k_th=55.000000, theta_0=109.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OS, particle_type2=CD, particle_type3=CT3, angle_type=harmonic, k_th=55.000000, theta_0=109.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OS, particle_type2=CD, particle_type3=CT1, angle_type=harmonic, k_th=55.000000, theta_0=109.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OS, particle_type2=CD, particle_type3=OB, angle_type=harmonic, k_th=90.000000, theta_0=125.900000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OS, particle_type2=CD, particle_type3=CT2, angle_type=harmonic, k_th=55.000000, theta_0=109.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OS, particle_type2=CT3, particle_type3=HA, angle_type=harmonic, k_th=60.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OS, particle_type2=CT2, particle_type3=HA, angle_type=harmonic, k_th=60.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CPB, particle_type2=C, particle_type3=C, angle_type=harmonic, k_th=70.000000, theta_0=121.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CPB, particle_type2=CPB, particle_type3=CPA, angle_type=harmonic, k_th=30.800000, theta_0=106.510000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CPB, particle_type2=CPB, particle_type3=C, angle_type=harmonic, k_th=70.000000, theta_0=126.750000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HR1, particle_type2=CPH1, particle_type3=CPH1, angle_type=harmonic, k_th=22.000000, theta_0=130.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH1, particle_type2=CT3, particle_type3=HA, angle_type=harmonic, k_th=51.500000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH1, particle_type2=CT1, particle_type3=CD, angle_type=harmonic, k_th=50.000000, theta_0=107.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH1, particle_type2=CT1, particle_type3=CC, angle_type=harmonic, k_th=50.000000, theta_0=107.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH1, particle_type2=CT1, particle_type3=CT3, angle_type=harmonic, k_th=70.000000, theta_0=113.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH1, particle_type2=CT1, particle_type3=HB, angle_type=harmonic, k_th=48.000000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH1, particle_type2=CT1, particle_type3=CT1, angle_type=harmonic, k_th=70.000000, theta_0=113.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH1, particle_type2=CT1, particle_type3=C, angle_type=harmonic, k_th=50.000000, theta_0=107.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH1, particle_type2=CT1, particle_type3=CT2, angle_type=harmonic, k_th=70.000000, theta_0=113.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH1, particle_type2=C, particle_type3=CP1, angle_type=harmonic, k_th=80.000000, theta_0=116.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH1, particle_type2=C, particle_type3=CT3, angle_type=harmonic, k_th=80.000000, theta_0=116.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH1, particle_type2=C, particle_type3=CT1, angle_type=harmonic, k_th=80.000000, theta_0=116.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH1, particle_type2=C, particle_type3=CT2, angle_type=harmonic, k_th=80.000000, theta_0=116.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH1, particle_type2=CT2, particle_type3=CD, angle_type=harmonic, k_th=50.000000, theta_0=107.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH1, particle_type2=CT2, particle_type3=CC, angle_type=harmonic, k_th=50.000000, theta_0=107.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH1, particle_type2=CT2, particle_type3=HB, angle_type=harmonic, k_th=48.000000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH1, particle_type2=CT2, particle_type3=C, angle_type=harmonic, k_th=50.000000, theta_0=107.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH1, particle_type2=CT2, particle_type3=HA, angle_type=harmonic, k_th=51.500000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH1, particle_type2=CT2, particle_type3=CT2, angle_type=harmonic, k_th=70.000000, theta_0=113.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH2, particle_type2=CC, particle_type3=CP1, angle_type=harmonic, k_th=80.000000, theta_0=112.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH2, particle_type2=CC, particle_type3=CT3, angle_type=harmonic, k_th=50.000000, theta_0=116.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH2, particle_type2=CC, particle_type3=CT1, angle_type=harmonic, k_th=50.000000, theta_0=116.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH2, particle_type2=CC, particle_type3=HA, angle_type=harmonic, k_th=44.000000, theta_0=111.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH2, particle_type2=CC, particle_type3=CT2, angle_type=harmonic, k_th=50.000000, theta_0=116.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH2, particle_type2=CT3, particle_type3=HA, angle_type=harmonic, k_th=38.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH2, particle_type2=CT2, particle_type3=CD, angle_type=harmonic, k_th=52.000000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NH2, particle_type2=CT2, particle_type3=HB, angle_type=harmonic, k_th=38.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NN2B, particle_type2=CN8, particle_type3=CN9, angle_type=harmonic, k_th=70.000000, theta_0=113.700000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NN2B, particle_type2=CN5, particle_type3=NN3G, angle_type=harmonic, k_th=140.000000, theta_0=125.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NN2B, particle_type2=CN5, particle_type3=NN3I, angle_type=harmonic, k_th=140.000000, theta_0=128.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NN2B, particle_type2=CN4, particle_type3=NN4, angle_type=harmonic, k_th=100.000000, theta_0=113.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NN2B, particle_type2=CN1T, particle_type3=ON1, angle_type=harmonic, k_th=100.000000, theta_0=121.600000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NN2B, particle_type2=CN1T, particle_type3=NN2U, angle_type=harmonic, k_th=50.000000, theta_0=114.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CY, particle_type3=CPT, angle_type=harmonic, k_th=32.000000, theta_0=126.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CY, particle_type3=CA, angle_type=harmonic, k_th=20.000000, theta_0=126.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CT3, particle_type3=CPH1, angle_type=harmonic, k_th=33.430000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CT3, particle_type3=CC, angle_type=harmonic, k_th=33.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CT3, particle_type3=CT3, angle_type=harmonic, k_th=37.500000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CT3, particle_type3=CT1, angle_type=harmonic, k_th=33.430000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CT3, particle_type3=HA, angle_type=harmonic, k_th=35.500000, theta_0=108.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CT3, particle_type3=CT2, angle_type=harmonic, k_th=34.600000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CT3, particle_type3=CS, angle_type=harmonic, k_th=34.600000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CT3, particle_type3=CD, angle_type=harmonic, k_th=33.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CT3, particle_type3=C, angle_type=harmonic, k_th=33.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CT3, particle_type3=CE1, angle_type=harmonic, k_th=42.000000, theta_0=111.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CT3, particle_type3=CPB, angle_type=harmonic, k_th=50.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CT3, particle_type3=CA, angle_type=harmonic, k_th=49.300000, theta_0=107.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CT1, particle_type3=CD, angle_type=harmonic, k_th=33.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CT1, particle_type3=CT3, angle_type=harmonic, k_th=34.500000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CT1, particle_type3=CT1, angle_type=harmonic, k_th=34.500000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CT1, particle_type3=C, angle_type=harmonic, k_th=33.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CT1, particle_type3=HA, angle_type=harmonic, k_th=35.500000, theta_0=109.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CT1, particle_type3=CT2, angle_type=harmonic, k_th=34.500000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CT2, particle_type3=CY, angle_type=harmonic, k_th=33.430000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CT2, particle_type3=CPH1, angle_type=harmonic, k_th=33.430000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CT2, particle_type3=CC, angle_type=harmonic, k_th=33.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CT2, particle_type3=CT3, angle_type=harmonic, k_th=34.600000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CT2, particle_type3=CT1, angle_type=harmonic, k_th=33.430000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CT2, particle_type3=HA, angle_type=harmonic, k_th=35.500000, theta_0=109.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CT2, particle_type3=CT2, angle_type=harmonic, k_th=26.500000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CT2, particle_type3=CD, angle_type=harmonic, k_th=33.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CT2, particle_type3=C, angle_type=harmonic, k_th=33.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CT2, particle_type3=CE1, angle_type=harmonic, k_th=45.000000, theta_0=111.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CT2, particle_type3=CPB, angle_type=harmonic, k_th=50.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CT2, particle_type3=CA, angle_type=harmonic, k_th=49.300000, theta_0=107.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CPM, particle_type3=CPA, angle_type=harmonic, k_th=12.700000, theta_0=117.440000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CPM, particle_type3=FE, angle_type=harmonic, k_th=0.000000, theta_0=180.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CS, particle_type3=CT3, angle_type=harmonic, k_th=34.600000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CS, particle_type3=HA, angle_type=harmonic, k_th=35.500000, theta_0=108.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CP3, particle_type3=CP2, angle_type=harmonic, k_th=26.500000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CP3, particle_type3=HA, angle_type=harmonic, k_th=35.500000, theta_0=109.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CP2, particle_type3=CP1, angle_type=harmonic, k_th=33.430000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CP2, particle_type3=CP3, angle_type=harmonic, k_th=26.500000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CP2, particle_type3=CP2, angle_type=harmonic, k_th=26.500000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CP2, particle_type3=HA, angle_type=harmonic, k_th=35.500000, theta_0=109.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=C, particle_type3=C, angle_type=harmonic, k_th=50.000000, theta_0=120.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=C, particle_type3=HA, angle_type=harmonic, k_th=50.000000, theta_0=118.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=C, particle_type3=CPB, angle_type=harmonic, k_th=50.000000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CA, particle_type3=CY, angle_type=harmonic, k_th=32.000000, theta_0=125.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CA, particle_type3=CPT, angle_type=harmonic, k_th=41.000000, theta_0=122.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HA, particle_type2=CA, particle_type3=CA, angle_type=harmonic, k_th=29.000000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN7C, particle_type2=CN7B, particle_type3=NN2B, angle_type=harmonic, k_th=110.000000, theta_0=111.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN7C, particle_type2=CN7B, particle_type3=HN7, angle_type=harmonic, k_th=33.400000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN7C, particle_type2=CN7B, particle_type3=NN2, angle_type=harmonic, k_th=110.000000, theta_0=111.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN7C, particle_type2=CN7, particle_type3=ON2, angle_type=harmonic, k_th=115.000000, theta_0=109.700000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN7C, particle_type2=CN7, particle_type3=CN7, angle_type=harmonic, k_th=60.000000, theta_0=102.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=H, particle_type2=NR1, particle_type3=CPH1, angle_type=harmonic, k_th=30.000000, theta_0=125.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=H, particle_type2=NR1, particle_type3=CPH2, angle_type=harmonic, k_th=30.000000, theta_0=127.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=H, particle_type2=OH1, particle_type3=CD, angle_type=harmonic, k_th=55.000000, theta_0=115.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=H, particle_type2=OH1, particle_type3=CT3, angle_type=harmonic, k_th=57.500000, theta_0=106.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=H, particle_type2=OH1, particle_type3=CT1, angle_type=harmonic, k_th=57.500000, theta_0=106.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=H, particle_type2=OH1, particle_type3=CA, angle_type=harmonic, k_th=65.000000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=H, particle_type2=OH1, particle_type3=CT2, angle_type=harmonic, k_th=57.500000, theta_0=106.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=H, particle_type2=NY, particle_type3=CPT, angle_type=harmonic, k_th=28.000000, theta_0=126.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=H, particle_type2=NY, particle_type3=CA, angle_type=harmonic, k_th=28.000000, theta_0=126.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=H, particle_type2=NH2, particle_type3=H, angle_type=harmonic, k_th=23.000000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=H, particle_type2=NH2, particle_type3=CC, angle_type=harmonic, k_th=50.000000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=H, particle_type2=NH1, particle_type3=CT3, angle_type=harmonic, k_th=35.000000, theta_0=117.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=H, particle_type2=NH1, particle_type3=CT1, angle_type=harmonic, k_th=35.000000, theta_0=117.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=H, particle_type2=NH1, particle_type3=C, angle_type=harmonic, k_th=34.000000, theta_0=123.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=H, particle_type2=NH1, particle_type3=CT2, angle_type=harmonic, k_th=35.000000, theta_0=117.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=H, particle_type2=NR3, particle_type3=CPH1, angle_type=harmonic, k_th=25.000000, theta_0=126.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=H, particle_type2=NR3, particle_type3=CPH2, angle_type=harmonic, k_th=25.000000, theta_0=126.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CP3, particle_type2=CP2, particle_type3=CP2, angle_type=harmonic, k_th=70.000000, theta_0=108.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CP3, particle_type2=N, particle_type3=CP1, angle_type=harmonic, k_th=100.000000, theta_0=114.200000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CP3, particle_type2=N, particle_type3=C, angle_type=harmonic, k_th=60.000000, theta_0=117.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CP3, particle_type2=NP, particle_type3=CP1, angle_type=harmonic, k_th=100.000000, theta_0=111.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OM, particle_type2=OM, particle_type3=FE, angle_type=harmonic, k_th=0.000000, theta_0=180.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OM, particle_type2=CM, particle_type3=FE, angle_type=harmonic, k_th=35.000000, theta_0=180.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OM, particle_type2=FE, particle_type3=NPH, angle_type=harmonic, k_th=5.000000, theta_0=90.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CPT, particle_type2=CY, particle_type3=CA, angle_type=harmonic, k_th=120.000000, theta_0=107.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CPT, particle_type2=CPT, particle_type3=CA, angle_type=harmonic, k_th=60.000000, theta_0=122.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CPT, particle_type2=NY, particle_type3=CA, angle_type=harmonic, k_th=110.000000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CPT, particle_type2=CA, particle_type3=CA, angle_type=harmonic, k_th=60.000000, theta_0=118.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN8B, particle_type2=ON2, particle_type3=P, angle_type=harmonic, k_th=20.000000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NPH, particle_type2=CPA, particle_type3=CPB, angle_type=harmonic, k_th=122.000000, theta_0=111.540000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NPH, particle_type2=CPA, particle_type3=CPM, angle_type=harmonic, k_th=88.000000, theta_0=124.390000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NPH, particle_type2=FE, particle_type3=CM, angle_type=harmonic, k_th=50.000000, theta_0=90.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NPH, particle_type2=FE, particle_type3=NPH, angle_type=harmonic, k_th=14.390000, theta_0=90.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=NPH, particle_type2=FE, particle_type3=CPM, angle_type=harmonic, k_th=0.000000, theta_0=45.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN7, particle_type2=CN7B, particle_type3=ON2, angle_type=harmonic, k_th=115.000000, theta_0=109.700000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN7, particle_type2=CN8, particle_type3=ON5, angle_type=harmonic, k_th=75.700000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN7, particle_type2=ON6B, particle_type3=CN7B, angle_type=harmonic, k_th=110.000000, theta_0=115.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN7, particle_type2=CN8B, particle_type3=ON5, angle_type=harmonic, k_th=75.700000, theta_0=110.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN7, particle_type2=CN8B, particle_type3=ON2, angle_type=harmonic, k_th=70.000000, theta_0=108.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN7, particle_type2=ON6, particle_type3=CN7B, angle_type=harmonic, k_th=110.000000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN7, particle_type2=ON2, particle_type3=P, angle_type=harmonic, k_th=20.000000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN7, particle_type2=CN7, particle_type3=ON6B, angle_type=harmonic, k_th=100.000000, theta_0=110.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN7, particle_type2=CN7, particle_type3=CN8B, angle_type=harmonic, k_th=45.000000, theta_0=110.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN7, particle_type2=CN7, particle_type3=ON6, angle_type=harmonic, k_th=100.000000, theta_0=104.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN7, particle_type2=CN7, particle_type3=ON2, angle_type=harmonic, k_th=115.000000, theta_0=109.700000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CY, particle_type2=CPT, particle_type3=CPT, angle_type=harmonic, k_th=110.000000, theta_0=107.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CY, particle_type2=CPT, particle_type3=CA, angle_type=harmonic, k_th=160.000000, theta_0=130.600000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CY, particle_type2=CT2, particle_type3=CT3, angle_type=harmonic, k_th=58.350000, theta_0=114.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CY, particle_type2=CT2, particle_type3=CT1, angle_type=harmonic, k_th=58.350000, theta_0=114.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OC, particle_type2=CC, particle_type3=CP1, angle_type=harmonic, k_th=40.000000, theta_0=118.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OC, particle_type2=CC, particle_type3=OC, angle_type=harmonic, k_th=100.000000, theta_0=124.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OC, particle_type2=CC, particle_type3=CT3, angle_type=harmonic, k_th=40.000000, theta_0=118.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OC, particle_type2=CC, particle_type3=CT1, angle_type=harmonic, k_th=40.000000, theta_0=118.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OC, particle_type2=CC, particle_type3=CT2, angle_type=harmonic, k_th=40.000000, theta_0=118.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OC, particle_type2=CT3, particle_type3=HA, angle_type=harmonic, k_th=65.000000, theta_0=118.300000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OC, particle_type2=CA, particle_type3=CA, angle_type=harmonic, k_th=40.000000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OC, particle_type2=CT2, particle_type3=CT3, angle_type=harmonic, k_th=65.000000, theta_0=122.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=OC, particle_type2=CT2, particle_type3=HA, angle_type=harmonic, k_th=65.000000, theta_0=118.300000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3C, particle_type2=NN2, particle_type3=HN2, angle_type=harmonic, k_th=39.000000, theta_0=123.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3C, particle_type2=NN2, particle_type3=CN3C, angle_type=harmonic, k_th=20.000000, theta_0=114.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3C, particle_type2=NN2, particle_type3=CN7B, angle_type=harmonic, k_th=70.000000, theta_0=121.700000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3C, particle_type2=CN3, particle_type3=HN6, angle_type=harmonic, k_th=42.000000, theta_0=119.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3C, particle_type2=CN3, particle_type3=CN8, angle_type=harmonic, k_th=43.500000, theta_0=128.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3C, particle_type2=CN3, particle_type3=HN3, angle_type=harmonic, k_th=42.000000, theta_0=116.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3B, particle_type2=NN2, particle_type3=HN2, angle_type=harmonic, k_th=32.000000, theta_0=117.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3B, particle_type2=NN2, particle_type3=CN7B, angle_type=harmonic, k_th=70.000000, theta_0=121.700000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3B, particle_type2=NN2, particle_type3=CN3B, angle_type=harmonic, k_th=30.000000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3B, particle_type2=CN3, particle_type3=CN8, angle_type=harmonic, k_th=53.500000, theta_0=108.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3B, particle_type2=CN3, particle_type3=CN1A, angle_type=harmonic, k_th=10.000000, theta_0=131.800000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN3B, particle_type2=CN3, particle_type3=HN3B, angle_type=harmonic, k_th=30.000000, theta_0=122.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN5, particle_type2=ON5, particle_type3=CN7C, angle_type=harmonic, k_th=57.500000, theta_0=109.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN5, particle_type2=ON5, particle_type3=CN7B, angle_type=harmonic, k_th=57.500000, theta_0=109.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN5, particle_type2=ON5, particle_type3=CN9, angle_type=harmonic, k_th=57.500000, theta_0=106.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN5, particle_type2=ON5, particle_type3=CN8, angle_type=harmonic, k_th=57.500000, theta_0=106.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN5, particle_type2=ON5, particle_type3=CN8B, angle_type=harmonic, k_th=57.500000, theta_0=106.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN5, particle_type2=ON5, particle_type3=CN7, angle_type=harmonic, k_th=57.500000, theta_0=109.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN1, particle_type2=CN3T, particle_type3=CN9, angle_type=harmonic, k_th=38.000000, theta_0=118.700000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN1, particle_type2=CN3T, particle_type3=CN3, angle_type=harmonic, k_th=120.000000, theta_0=116.700000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN1, particle_type2=NN2U, particle_type3=HN2, angle_type=harmonic, k_th=40.500000, theta_0=115.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN1, particle_type2=NN2G, particle_type3=HN2, angle_type=harmonic, k_th=45.000000, theta_0=113.300000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN1, particle_type2=NN2G, particle_type3=CN2, angle_type=harmonic, k_th=70.000000, theta_0=131.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN1, particle_type2=NN2G, particle_type3=CN4, angle_type=harmonic, k_th=125.000000, theta_0=129.700000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN1, particle_type2=CN5G, particle_type3=CN5, angle_type=harmonic, k_th=70.000000, theta_0=119.600000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN1, particle_type2=CN5G, particle_type3=NN4, angle_type=harmonic, k_th=125.000000, theta_0=129.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN1, particle_type2=NN3, particle_type3=CN2, angle_type=harmonic, k_th=85.000000, theta_0=119.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN1, particle_type2=NN2, particle_type3=HN2, angle_type=harmonic, k_th=37.000000, theta_0=121.200000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN1, particle_type2=NN2, particle_type3=CN7B, angle_type=harmonic, k_th=45.000000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN1, particle_type2=NN2, particle_type3=CN9, angle_type=harmonic, k_th=70.000000, theta_0=115.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN1, particle_type2=NN2, particle_type3=CN3, angle_type=harmonic, k_th=50.000000, theta_0=124.100000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN1, particle_type2=CN3, particle_type3=HN3, angle_type=harmonic, k_th=30.000000, theta_0=120.300000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN1, particle_type2=CN3, particle_type3=CN3, angle_type=harmonic, k_th=100.000000, theta_0=117.600000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON6, particle_type2=CN7B, particle_type3=CN7C, angle_type=harmonic, k_th=90.000000, theta_0=102.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON6, particle_type2=CN7B, particle_type3=NR1, angle_type=harmonic, k_th=140.000000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON6, particle_type2=CN7B, particle_type3=CN8, angle_type=harmonic, k_th=90.000000, theta_0=102.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON6, particle_type2=CN7B, particle_type3=NN2B, angle_type=harmonic, k_th=110.000000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON6, particle_type2=CN7B, particle_type3=NN2, angle_type=harmonic, k_th=110.000000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON6, particle_type2=CN7B, particle_type3=CN7, angle_type=harmonic, k_th=120.000000, theta_0=106.250000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=ON6, particle_type2=CN7, particle_type3=CN8B, angle_type=harmonic, k_th=90.000000, theta_0=108.200000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN1T, particle_type2=NN2U, particle_type3=HN2, angle_type=harmonic, k_th=40.500000, theta_0=114.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN1T, particle_type2=NN2U, particle_type3=CN1, angle_type=harmonic, k_th=50.000000, theta_0=130.200000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN1T, particle_type2=NN2B, particle_type3=HN2, angle_type=harmonic, k_th=40.500000, theta_0=122.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN1T, particle_type2=NN2B, particle_type3=CN7B, angle_type=harmonic, k_th=45.000000, theta_0=118.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN1T, particle_type2=NN2B, particle_type3=CN9, angle_type=harmonic, k_th=70.000000, theta_0=116.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CN1T, particle_type2=NN2B, particle_type3=CN3, angle_type=harmonic, k_th=70.000000, theta_0=122.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HN3B, particle_type2=CN3B, particle_type3=NN2, angle_type=harmonic, k_th=80.000000, theta_0=117.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=O, particle_type2=CC, particle_type3=CP1, angle_type=harmonic, k_th=80.000000, theta_0=118.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=O, particle_type2=CC, particle_type3=CT3, angle_type=harmonic, k_th=15.000000, theta_0=121.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=O, particle_type2=CC, particle_type3=CT1, angle_type=harmonic, k_th=15.000000, theta_0=121.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=O, particle_type2=CC, particle_type3=HA, angle_type=harmonic, k_th=44.000000, theta_0=122.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=O, particle_type2=CC, particle_type3=NH2, angle_type=harmonic, k_th=75.000000, theta_0=122.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=O, particle_type2=CC, particle_type3=CT2, angle_type=harmonic, k_th=15.000000, theta_0=121.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=O, particle_type2=C, particle_type3=H, angle_type=harmonic, k_th=50.000000, theta_0=121.700000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=O, particle_type2=C, particle_type3=CP1, angle_type=harmonic, k_th=80.000000, theta_0=118.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=O, particle_type2=C, particle_type3=CT3, angle_type=harmonic, k_th=80.000000, theta_0=121.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=O, particle_type2=C, particle_type3=N, angle_type=harmonic, k_th=80.000000, theta_0=122.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=O, particle_type2=C, particle_type3=CT1, angle_type=harmonic, k_th=80.000000, theta_0=121.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=O, particle_type2=C, particle_type3=NH1, angle_type=harmonic, k_th=80.000000, theta_0=122.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=O, particle_type2=C, particle_type3=CT2, angle_type=harmonic, k_th=80.000000, theta_0=121.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT3, particle_type2=S, particle_type3=CT2, angle_type=harmonic, k_th=34.000000, theta_0=95.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT3, particle_type2=CPH1, particle_type3=CPH1, angle_type=harmonic, k_th=45.800000, theta_0=130.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT3, particle_type2=CT1, particle_type3=CC, angle_type=harmonic, k_th=52.000000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT3, particle_type2=CT1, particle_type3=CT3, angle_type=harmonic, k_th=53.350000, theta_0=114.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT3, particle_type2=CT1, particle_type3=CT1, angle_type=harmonic, k_th=53.350000, theta_0=108.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT3, particle_type2=CT1, particle_type3=C, angle_type=harmonic, k_th=52.000000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT3, particle_type2=CT1, particle_type3=CT2, angle_type=harmonic, k_th=53.350000, theta_0=114.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT3, particle_type2=CT2, particle_type3=CPH1, angle_type=harmonic, k_th=58.350000, theta_0=113.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT3, particle_type2=CT2, particle_type3=CT3, angle_type=harmonic, k_th=53.350000, theta_0=114.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT3, particle_type2=CT2, particle_type3=CT1, angle_type=harmonic, k_th=58.350000, theta_0=113.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT3, particle_type2=CT2, particle_type3=CA, angle_type=harmonic, k_th=51.800000, theta_0=107.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT3, particle_type2=CT2, particle_type3=CT2, angle_type=harmonic, k_th=58.000000, theta_0=115.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT3, particle_type2=NC2, particle_type3=C, angle_type=harmonic, k_th=62.300000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT3, particle_type2=OS, particle_type3=CD, angle_type=harmonic, k_th=40.000000, theta_0=109.600000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT3, particle_type2=CPB, particle_type3=CPA, angle_type=harmonic, k_th=65.000000, theta_0=126.740000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT3, particle_type2=CPB, particle_type3=CPB, angle_type=harmonic, k_th=65.000000, theta_0=126.750000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT3, particle_type2=CA, particle_type3=CA, angle_type=harmonic, k_th=45.800000, theta_0=122.300000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT3, particle_type2=NH1, particle_type3=C, angle_type=harmonic, k_th=50.000000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT1, particle_type2=CT1, particle_type3=CC, angle_type=harmonic, k_th=52.000000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT1, particle_type2=CT1, particle_type3=CT1, angle_type=harmonic, k_th=53.350000, theta_0=111.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT1, particle_type2=CT1, particle_type3=C, angle_type=harmonic, k_th=52.000000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT1, particle_type2=NH1, particle_type3=C, angle_type=harmonic, k_th=50.000000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT1, particle_type2=CT2, particle_type3=CPH1, angle_type=harmonic, k_th=58.350000, theta_0=113.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT1, particle_type2=CT2, particle_type3=CD, angle_type=harmonic, k_th=52.000000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT1, particle_type2=CT2, particle_type3=CC, angle_type=harmonic, k_th=52.000000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT1, particle_type2=CT2, particle_type3=CT1, angle_type=harmonic, k_th=58.350000, theta_0=113.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT1, particle_type2=CT2, particle_type3=CA, angle_type=harmonic, k_th=51.800000, theta_0=107.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT2, particle_type2=CY, particle_type3=CPT, angle_type=harmonic, k_th=45.800000, theta_0=124.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT2, particle_type2=CY, particle_type3=CA, angle_type=harmonic, k_th=45.800000, theta_0=129.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT2, particle_type2=CPH1, particle_type3=CPH1, angle_type=harmonic, k_th=45.800000, theta_0=130.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT2, particle_type2=CT3, particle_type3=CT1, angle_type=harmonic, k_th=58.350000, theta_0=113.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT2, particle_type2=CT1, particle_type3=CD, angle_type=harmonic, k_th=52.000000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT2, particle_type2=CT1, particle_type3=CC, angle_type=harmonic, k_th=52.000000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT2, particle_type2=CT1, particle_type3=CT1, angle_type=harmonic, k_th=53.350000, theta_0=111.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT2, particle_type2=CT1, particle_type3=C, angle_type=harmonic, k_th=52.000000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT2, particle_type2=CT2, particle_type3=CD, angle_type=harmonic, k_th=52.000000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT2, particle_type2=CT2, particle_type3=CC, angle_type=harmonic, k_th=52.000000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT2, particle_type2=CT2, particle_type3=CT1, angle_type=harmonic, k_th=58.350000, theta_0=113.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT2, particle_type2=CT2, particle_type3=C, angle_type=harmonic, k_th=52.000000, theta_0=108.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT2, particle_type2=CT2, particle_type3=CPB, angle_type=harmonic, k_th=70.000000, theta_0=113.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT2, particle_type2=CT2, particle_type3=CT2, angle_type=harmonic, k_th=58.350000, theta_0=113.600000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT2, particle_type2=NC2, particle_type3=C, angle_type=harmonic, k_th=62.300000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT2, particle_type2=OS, particle_type3=CD, angle_type=harmonic, k_th=40.000000, theta_0=109.600000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT2, particle_type2=CPB, particle_type3=CPA, angle_type=harmonic, k_th=65.000000, theta_0=126.740000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT2, particle_type2=CPB, particle_type3=CPB, angle_type=harmonic, k_th=65.000000, theta_0=126.750000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT2, particle_type2=NH1, particle_type3=C, angle_type=harmonic, k_th=50.000000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=CT2, particle_type2=CA, particle_type3=CA, angle_type=harmonic, k_th=45.800000, theta_0=122.300000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HC, particle_type2=NC2, particle_type3=HC, angle_type=harmonic, k_th=25.000000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HC, particle_type2=NC2, particle_type3=CT3, angle_type=harmonic, k_th=40.400000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HC, particle_type2=NC2, particle_type3=C, angle_type=harmonic, k_th=49.000000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HC, particle_type2=NC2, particle_type3=CT2, angle_type=harmonic, k_th=40.400000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HC, particle_type2=NP, particle_type3=HC, angle_type=harmonic, k_th=51.000000, theta_0=107.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HC, particle_type2=NP, particle_type3=CP1, angle_type=harmonic, k_th=33.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HC, particle_type2=NP, particle_type3=CP3, angle_type=harmonic, k_th=33.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HC, particle_type2=NH3, particle_type3=HC, angle_type=harmonic, k_th=44.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HC, particle_type2=NH3, particle_type3=CT3, angle_type=harmonic, k_th=30.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HC, particle_type2=NH3, particle_type3=CT1, angle_type=harmonic, k_th=30.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HC, particle_type2=NH3, particle_type3=CT2, angle_type=harmonic, k_th=30.000000, theta_0=109.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HC, particle_type2=NH2, particle_type3=HC, angle_type=harmonic, k_th=39.000000, theta_0=106.500000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HC, particle_type2=NH2, particle_type3=CT3, angle_type=harmonic, k_th=50.000000, theta_0=111.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HC, particle_type2=NH2, particle_type3=CT2, angle_type=harmonic, k_th=50.000000, theta_0=111.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HP, particle_type2=CY, particle_type3=CPT, angle_type=harmonic, k_th=32.000000, theta_0=126.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HP, particle_type2=CY, particle_type3=CA, angle_type=harmonic, k_th=32.000000, theta_0=126.400000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HP, particle_type2=CA, particle_type3=CY, angle_type=harmonic, k_th=32.000000, theta_0=125.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HP, particle_type2=CA, particle_type3=CPT, angle_type=harmonic, k_th=30.000000, theta_0=122.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; angle: particle_type1=HP, particle_type2=CA, particle_type3=CA, angle_type=harmonic, k_th=30.000000, theta_0=120.000000, k_1=0.000000, k_2=0.000000, k=0.000000, cos_theta_0=0.000000; }; torsions { torsion: particle_type1=S, particle_type2=CT2, particle_type3=CT2, particle_type4=HA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.010000, n_1=3, delta_1=0.000000; torsion: particle_type1=P2, particle_type2=ON2, particle_type3=P2, particle_type4=ON3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.100000, n_1=2, delta_1=0.000000, k_2=0.030000, n_2=3, delta_2=0.000000; torsion: particle_type1=P2, particle_type2=ON2, particle_type3=P2, particle_type4=ON2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.030000, n_1=2, delta_1=0.000000, k_2=0.030000, n_2=3, delta_2=0.000000; torsion: particle_type1=P2, particle_type2=ON2, particle_type3=P, particle_type4=ON3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.100000, n_1=2, delta_1=0.000000, k_2=0.030000, n_2=3, delta_2=0.000000; torsion: particle_type1=P2, particle_type2=ON2, particle_type3=P, particle_type4=ON2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.030000, n_1=2, delta_1=0.000000, k_2=0.030000, n_2=3, delta_2=0.000000; torsion: particle_type1=NY, particle_type2=CPT, particle_type3=CPT, particle_type4=CY, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=5.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NY, particle_type2=CPT, particle_type3=CPT, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=10.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NY, particle_type2=CPT, particle_type3=CA, particle_type4=HA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=4.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NY, particle_type2=CPT, particle_type3=CA, particle_type4=HP, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NY, particle_type2=CPT, particle_type3=CA, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.800000, n_1=2, delta_1=180.000000; torsion: particle_type1=NY, particle_type2=CA, particle_type3=CY, particle_type4=CPT, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=4.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NY, particle_type2=CA, particle_type3=CY, particle_type4=HA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=NY, particle_type2=CA, particle_type3=CY, particle_type4=HP, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=NY, particle_type2=CA, particle_type3=CY, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN2, particle_type2=CN3C, particle_type3=CN3, particle_type4=HN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=7.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN2, particle_type2=CN7B, particle_type3=CN7B, particle_type4=ON5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=NN2, particle_type2=CN5, particle_type3=CN5, particle_type4=NN4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=14.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN2, particle_type2=CN3B, particle_type3=CN3, particle_type4=HN3B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=7.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN2, particle_type2=CN3B, particle_type3=CN3, particle_type4=CN3A, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=7.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN2, particle_type2=CN1, particle_type3=NN3, particle_type4=CN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.600000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN2, particle_type2=CN3, particle_type3=CN3D, particle_type4=CN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN2, particle_type2=CN3, particle_type3=CN3D, particle_type4=CN9, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=4.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN2, particle_type2=CN3, particle_type3=CN3, particle_type4=HN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.400000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN3, particle_type2=CN3D, particle_type3=CN2, particle_type4=NN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN3, particle_type2=CN3D, particle_type3=CN9, particle_type4=HN9, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN3, particle_type2=CN3T, particle_type3=CN9, particle_type4=HN9, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.460000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN3, particle_type2=NN2B, particle_type3=CN9, particle_type4=HN9, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN3, particle_type2=NN2B, particle_type3=CN1T, particle_type4=NN2U, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN3, particle_type2=NN2, particle_type3=CN3C, particle_type4=HN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=7.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN3, particle_type2=NN2, particle_type3=CN9, particle_type4=HN9, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN3, particle_type2=NN2, particle_type3=CN3B, particle_type4=HN3B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=7.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN3, particle_type2=NN2, particle_type3=CN1, particle_type4=NN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.600000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN3, particle_type2=CN3A, particle_type3=CN3, particle_type4=CN3B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=6.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN3, particle_type2=CN3A, particle_type3=CN3, particle_type4=CN1A, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN3, particle_type2=CN3, particle_type3=NN2B, particle_type4=HN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.600000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN3, particle_type2=CN3, particle_type3=NN2B, particle_type4=CN1T, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN3, particle_type2=CN3, particle_type3=NN2, particle_type4=CN1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.600000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN3, particle_type2=CN2, particle_type3=NN1, particle_type4=HN1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN3, particle_type2=CN1, particle_type3=NN2U, particle_type4=HN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.800000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN3, particle_type2=CN1A, particle_type3=CN3, particle_type4=HN3B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=7.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN3, particle_type2=CN1A, particle_type3=CN3, particle_type4=HN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=7.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=OB, particle_type2=CD, particle_type3=OS, particle_type4=CT3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.965000, n_1=1, delta_1=180.000000, k_2=3.850000, n_2=2, delta_2=180.000000; torsion: particle_type1=OB, particle_type2=CD, particle_type3=OS, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.965000, n_1=1, delta_1=180.000000, k_2=3.850000, n_2=2, delta_2=180.000000; torsion: particle_type1=CD, particle_type2=CP1, particle_type3=N, particle_type4=C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=180.000000; torsion: particle_type1=CD, particle_type2=CT1, particle_type3=NH1, particle_type4=C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.200000, n_1=1, delta_1=180.000000; torsion: particle_type1=CD, particle_type2=CT2, particle_type3=NH1, particle_type4=C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.200000, n_1=1, delta_1=180.000000; torsion: particle_type1=NN2U, particle_type2=CN1, particle_type3=CN3T, particle_type4=CN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.800000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN2U, particle_type2=CN1, particle_type3=CN3, particle_type4=CN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN2U, particle_type2=CN1T, particle_type3=NN2B, particle_type4=HN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.600000, n_1=2, delta_1=180.000000; torsion: particle_type1=OH1, particle_type2=CA, particle_type3=CA, particle_type4=HP, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=4.200000, n_1=2, delta_1=180.000000; torsion: particle_type1=OH1, particle_type2=CA, particle_type3=CA, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.100000, n_1=2, delta_1=180.000000; torsion: particle_type1=CP2, particle_type2=CP1, particle_type3=N, particle_type4=C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.800000, n_1=3, delta_1=0.000000; torsion: particle_type1=CP2, particle_type2=CP3, particle_type3=N, particle_type4=CP1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.100000, n_1=3, delta_1=0.000000; torsion: particle_type1=CP2, particle_type2=CP3, particle_type3=N, particle_type4=C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=180.000000; torsion: particle_type1=CP2, particle_type2=CP3, particle_type3=NP, particle_type4=CP1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.080000, n_1=3, delta_1=0.000000; torsion: particle_type1=ON6B, particle_type2=CN7B, particle_type3=NR1, particle_type4=CPH1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=3, k_1=0.200000, n_1=3, delta_1=0.000000, k_2=0.500000, n_2=2, delta_2=-70.000000, k_3=0.600000, n_3=1, delta_3=180.000000; torsion: particle_type1=ON6B, particle_type2=CN7B, particle_type3=NR1, particle_type4=CPH2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.300000, n_1=1, delta_1=0.000000; torsion: particle_type1=ON6B, particle_type2=CN7B, particle_type3=CN7B, particle_type4=ON5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=ON6B, particle_type2=CN7B, particle_type3=NN2B, particle_type4=CN4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.400000, n_1=1, delta_1=0.000000; torsion: particle_type1=ON6B, particle_type2=CN7B, particle_type3=NN2B, particle_type4=CN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.200000, n_1=3, delta_1=0.000000, k_2=1.100000, n_2=1, delta_2=180.000000; torsion: particle_type1=ON6B, particle_type2=CN7B, particle_type3=NN2B, particle_type4=CN1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=ON6B, particle_type2=CN7B, particle_type3=NN2B, particle_type4=CN1T, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.700000, n_1=3, delta_1=0.000000, k_2=0.800000, n_2=1, delta_2=180.000000; torsion: particle_type1=ON6B, particle_type2=CN7B, particle_type3=NN2B, particle_type4=CN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.900000, n_1=1, delta_1=0.000000; torsion: particle_type1=ON6B, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN3C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=ON6B, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.100000, n_1=1, delta_1=0.000000; torsion: particle_type1=ON6B, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.100000, n_1=1, delta_1=180.000000; torsion: particle_type1=ON6B, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN3B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=ON6B, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=ON6B, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=ON6B, particle_type2=CN7, particle_type3=CN8B, particle_type4=ON5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.400000, n_1=1, delta_1=180.000000; torsion: particle_type1=ON6B, particle_type2=CN7, particle_type3=CN8B, particle_type4=ON2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.400000, n_1=1, delta_1=180.000000; torsion: particle_type1=NR2, particle_type2=CPH1, particle_type3=CPH1, particle_type4=NR1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=14.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NR2, particle_type2=CPH1, particle_type3=CPH1, particle_type4=CT3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NR2, particle_type2=CPH1, particle_type3=CPH1, particle_type4=HR3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NR2, particle_type2=CPH1, particle_type3=CPH1, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NR2, particle_type2=CPH1, particle_type3=CT3, particle_type4=HA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.190000, n_1=3, delta_1=0.000000; torsion: particle_type1=NR2, particle_type2=CPH1, particle_type3=CT2, particle_type4=CT3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.190000, n_1=3, delta_1=0.000000; torsion: particle_type1=NR2, particle_type2=CPH1, particle_type3=CT2, particle_type4=CT1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.190000, n_1=3, delta_1=0.000000; torsion: particle_type1=NR2, particle_type2=CPH1, particle_type3=CT2, particle_type4=HA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.190000, n_1=3, delta_1=0.000000; torsion: particle_type1=NR2, particle_type2=CPH1, particle_type3=CT2, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.190000, n_1=3, delta_1=0.000000; torsion: particle_type1=NR2, particle_type2=CPH2, particle_type3=NR1, particle_type4=H, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NR2, particle_type2=CPH2, particle_type3=NR1, particle_type4=CPH1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=14.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=ON1C, particle_type2=CN1, particle_type3=NN3, particle_type4=CN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.600000, n_1=2, delta_1=180.000000; torsion: particle_type1=ON1C, particle_type2=CN1, particle_type3=NN2, particle_type4=HN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=ON1C, particle_type2=CN1, particle_type3=NN2, particle_type4=CN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.600000, n_1=2, delta_1=180.000000; torsion: particle_type1=SS, particle_type2=CS, particle_type3=CT3, particle_type4=HA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.150000, n_1=3, delta_1=0.000000; torsion: particle_type1=NR1, particle_type2=CPH1, particle_type3=CPH1, particle_type4=CT3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NR1, particle_type2=CPH1, particle_type3=CPH1, particle_type4=HR3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NR1, particle_type2=CPH1, particle_type3=CPH1, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NR1, particle_type2=CPH1, particle_type3=CT3, particle_type4=HA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.190000, n_1=3, delta_1=0.000000; torsion: particle_type1=NR1, particle_type2=CPH1, particle_type3=CT2, particle_type4=CT3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.190000, n_1=3, delta_1=0.000000; torsion: particle_type1=NR1, particle_type2=CPH1, particle_type3=CT2, particle_type4=CT1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.190000, n_1=3, delta_1=0.000000; torsion: particle_type1=NR1, particle_type2=CPH1, particle_type3=CT2, particle_type4=HA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.190000, n_1=3, delta_1=0.000000; torsion: particle_type1=NR1, particle_type2=CPH1, particle_type3=CT2, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.190000, n_1=3, delta_1=0.000000; torsion: particle_type1=NR1, particle_type2=CN7B, particle_type3=CN8, particle_type4=CN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=NR1, particle_type2=CN7B, particle_type3=CN7B, particle_type4=ON5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=NR1, particle_type2=CPH2, particle_type3=NR2, particle_type4=CPH1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=14.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HR2, particle_type2=CPH2, particle_type3=NR3, particle_type4=H, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HR2, particle_type2=CPH2, particle_type3=NR3, particle_type4=CPH1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=ON2, particle_type2=CN7B, particle_type3=CN7B, particle_type4=ON6B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=4, k_1=0.400000, n_1=6, delta_1=0.000000, k_2=0.000000, n_2=5, delta_2=0.000000, k_3=0.000000, n_3=4, delta_3=180.000000, k_4=1.600000, n_4=3, delta_4=0.000000; torsion: particle_type1=ON2, particle_type2=CN7B, particle_type3=CN7B, particle_type4=NN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=ON2, particle_type2=CN7B, particle_type3=CN7, particle_type4=CN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=3, k_1=0.800000, n_1=6, delta_1=0.000000, k_2=0.400000, n_2=5, delta_2=0.000000, k_3=2.000000, n_3=3, delta_3=180.000000; torsion: particle_type1=ON2, particle_type2=P, particle_type3=ON2, particle_type4=CN9, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=4, k_1=1.200000, n_1=1, delta_1=180.000000, k_2=0.100000, n_2=2, delta_2=180.000000, k_3=0.100000, n_3=3, delta_3=180.000000, k_4=0.000000, n_4=6, delta_4=0.000000; torsion: particle_type1=ON2, particle_type2=P, particle_type3=ON2, particle_type4=CN8, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=4, k_1=1.200000, n_1=1, delta_1=180.000000, k_2=0.100000, n_2=2, delta_2=180.000000, k_3=0.100000, n_3=3, delta_3=180.000000, k_4=0.000000, n_4=6, delta_4=0.000000; torsion: particle_type1=ON2, particle_type2=P, particle_type3=ON2, particle_type4=CN8B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=4, k_1=1.200000, n_1=1, delta_1=180.000000, k_2=0.100000, n_2=2, delta_2=180.000000, k_3=0.100000, n_3=3, delta_3=180.000000, k_4=0.000000, n_4=6, delta_4=0.000000; torsion: particle_type1=ON2, particle_type2=P, particle_type3=ON2, particle_type4=CN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=4, k_1=1.200000, n_1=1, delta_1=180.000000, k_2=0.100000, n_2=2, delta_2=180.000000, k_3=0.100000, n_3=3, delta_3=180.000000, k_4=0.000000, n_4=6, delta_4=0.000000; torsion: particle_type1=ON2, particle_type2=CN7, particle_type3=CN7C, particle_type4=CN7B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=3, k_1=0.800000, n_1=6, delta_1=0.000000, k_2=0.400000, n_2=5, delta_2=0.000000, k_3=2.000000, n_3=3, delta_3=180.000000; torsion: particle_type1=ON2, particle_type2=CN7, particle_type3=CN7C, particle_type4=HN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=ON2, particle_type2=CN7, particle_type3=CN8, particle_type4=CN7B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=3, k_1=0.800000, n_1=6, delta_1=0.000000, k_2=0.400000, n_2=5, delta_2=0.000000, k_3=2.000000, n_3=3, delta_3=180.000000; torsion: particle_type1=ON2, particle_type2=CN7, particle_type3=CN8, particle_type4=HN8, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=ON2, particle_type2=CN7, particle_type3=CN7B, particle_type4=CN7B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=3, k_1=0.600000, n_1=6, delta_1=0.000000, k_2=0.000000, n_2=5, delta_2=0.000000, k_3=1.600000, n_3=3, delta_3=180.000000; torsion: particle_type1=ON2, particle_type2=CN7, particle_type3=CN7B, particle_type4=HN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=ON2, particle_type2=CN7, particle_type3=CN7B, particle_type4=ON6, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=4, k_1=0.500000, n_1=6, delta_1=0.000000, k_2=0.300000, n_2=5, delta_2=0.000000, k_3=0.600000, n_3=4, delta_3=180.000000, k_4=0.200000, n_4=3, delta_4=0.000000; torsion: particle_type1=ON2, particle_type2=CN7, particle_type3=CN7B, particle_type4=NN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=ON2, particle_type2=CN7, particle_type3=CN7, particle_type4=ON6B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=4, k_1=0.400000, n_1=6, delta_1=0.000000, k_2=0.000000, n_2=5, delta_2=0.000000, k_3=0.000000, n_3=4, delta_3=180.000000, k_4=1.600000, n_4=3, delta_4=0.000000; torsion: particle_type1=ON2, particle_type2=CN7, particle_type3=CN7, particle_type4=CN8B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.200000, n_1=4, delta_1=0.000000, k_2=0.800000, n_2=3, delta_2=180.000000; torsion: particle_type1=ON2, particle_type2=CN7, particle_type3=CN7, particle_type4=ON6, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=4, k_1=0.500000, n_1=6, delta_1=0.000000, k_2=0.300000, n_2=5, delta_2=0.000000, k_3=0.600000, n_3=4, delta_3=180.000000, k_4=0.200000, n_4=3, delta_4=0.000000; torsion: particle_type1=ON2, particle_type2=CN7, particle_type3=CN7, particle_type4=CN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=3, k_1=0.800000, n_1=6, delta_1=0.000000, k_2=0.400000, n_2=5, delta_2=0.000000, k_3=2.000000, n_3=3, delta_3=180.000000; torsion: particle_type1=CP1, particle_type2=C, particle_type3=N, particle_type4=CP1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=2.750000, n_1=2, delta_1=180.000000, k_2=0.300000, n_2=4, delta_2=0.000000; torsion: particle_type1=ON4, particle_type2=P, particle_type3=ON2, particle_type4=CN9, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.950000, n_1=2, delta_1=0.000000, k_2=0.500000, n_2=3, delta_2=0.000000; torsion: particle_type1=ON4, particle_type2=P, particle_type3=ON2, particle_type4=CN8, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.950000, n_1=2, delta_1=0.000000, k_2=0.500000, n_2=3, delta_2=0.000000; torsion: particle_type1=ON4, particle_type2=P, particle_type3=ON2, particle_type4=CN7B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.950000, n_1=2, delta_1=0.000000, k_2=0.500000, n_2=3, delta_2=0.000000; torsion: particle_type1=ON4, particle_type2=P, particle_type3=ON2, particle_type4=CN8B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.950000, n_1=2, delta_1=0.000000, k_2=0.500000, n_2=3, delta_2=0.000000; torsion: particle_type1=ON4, particle_type2=P, particle_type3=ON2, particle_type4=CN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.950000, n_1=2, delta_1=0.000000, k_2=0.500000, n_2=3, delta_2=0.000000; torsion: particle_type1=ON5, particle_type2=CN7C, particle_type3=CN7, particle_type4=HN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=ON5, particle_type2=CN7C, particle_type3=CN7, particle_type4=ON2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=ON5, particle_type2=CN7B, particle_type3=CN7B, particle_type4=HN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=ON5, particle_type2=CN7B, particle_type3=CN7, particle_type4=ON5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=ON5, particle_type2=CN7B, particle_type3=CN7, particle_type4=ON2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=ON5, particle_type2=CN7, particle_type3=CN7C, particle_type4=CN7B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=3, k_1=0.800000, n_1=6, delta_1=0.000000, k_2=0.400000, n_2=5, delta_2=0.000000, k_3=2.000000, n_3=3, delta_3=180.000000; torsion: particle_type1=ON5, particle_type2=CN7, particle_type3=CN7C, particle_type4=HN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=180.000000; torsion: particle_type1=ON5, particle_type2=CN7, particle_type3=CN8, particle_type4=CN7B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=3, k_1=0.800000, n_1=6, delta_1=0.000000, k_2=0.400000, n_2=5, delta_2=0.000000, k_3=2.000000, n_3=3, delta_3=180.000000; torsion: particle_type1=ON5, particle_type2=CN7, particle_type3=CN8, particle_type4=HN8, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=180.000000; torsion: particle_type1=ON5, particle_type2=CN7, particle_type3=CN7B, particle_type4=CN7B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=3, k_1=0.600000, n_1=6, delta_1=0.000000, k_2=0.000000, n_2=5, delta_2=0.000000, k_3=1.600000, n_3=3, delta_3=180.000000; torsion: particle_type1=ON5, particle_type2=CN7, particle_type3=CN7B, particle_type4=HN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=180.000000; torsion: particle_type1=ON5, particle_type2=CN7, particle_type3=CN7B, particle_type4=NN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=ON5, particle_type2=CN7, particle_type3=CN7B, particle_type4=ON2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=ON5, particle_type2=CN7, particle_type3=CN7, particle_type4=ON5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=ON5, particle_type2=CN7, particle_type3=CN7, particle_type4=ON6B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=4, k_1=0.400000, n_1=6, delta_1=0.000000, k_2=0.000000, n_2=5, delta_2=0.000000, k_3=0.000000, n_3=4, delta_3=180.000000, k_4=1.600000, n_4=3, delta_4=0.000000; torsion: particle_type1=ON5, particle_type2=CN7, particle_type3=CN7, particle_type4=CN8B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.200000, n_1=4, delta_1=0.000000, k_2=0.800000, n_2=3, delta_2=180.000000; torsion: particle_type1=ON5, particle_type2=CN7, particle_type3=CN7, particle_type4=ON6, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=4, k_1=0.500000, n_1=6, delta_1=0.000000, k_2=0.300000, n_2=5, delta_2=0.000000, k_3=0.600000, n_3=4, delta_3=180.000000, k_4=0.200000, n_4=3, delta_4=0.000000; torsion: particle_type1=ON5, particle_type2=CN7, particle_type3=CN7, particle_type4=ON2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=ON5, particle_type2=CN7, particle_type3=CN7, particle_type4=CN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=3, k_1=0.800000, n_1=6, delta_1=0.000000, k_2=0.400000, n_2=5, delta_2=0.000000, k_3=2.000000, n_3=3, delta_3=180.000000; torsion: particle_type1=CE1, particle_type2=CE1, particle_type3=CT3, particle_type4=HA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.030000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN8, particle_type2=CN8, particle_type3=CN8, particle_type4=ON6, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=1, delta_1=0.000000; torsion: particle_type1=HN8, particle_type2=CN8, particle_type3=CN7B, particle_type4=NR1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN8, particle_type2=CN8, particle_type3=CN7B, particle_type4=ON6B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN8, particle_type2=CN8, particle_type3=CN7B, particle_type4=NN2B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN8, particle_type2=CN8, particle_type3=CN7B, particle_type4=ON6, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN8, particle_type2=CN8, particle_type3=CN7B, particle_type4=NN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN8, particle_type2=CN8, particle_type3=CN7, particle_type4=CN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN8, particle_type2=CN8B, particle_type3=ON5, particle_type4=HN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN8, particle_type2=CN8B, particle_type3=CN7, particle_type4=ON6B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=1, delta_1=0.000000; torsion: particle_type1=HN8, particle_type2=CN8B, particle_type3=CN7, particle_type4=ON6, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=1, delta_1=0.000000; torsion: particle_type1=HN8, particle_type2=CN8B, particle_type3=CN7, particle_type4=CN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN3D, particle_type2=CN2, particle_type3=NN3, particle_type4=CN1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=10.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN3D, particle_type2=CN2, particle_type3=NN1, particle_type4=HN1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN3D, particle_type2=CN3, particle_type3=NN2, particle_type4=CN1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN3T, particle_type2=CN1, particle_type3=NN2U, particle_type4=HN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=4.800000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN9, particle_type2=CN3D, particle_type3=CN3, particle_type4=HN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=4.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN4, particle_type2=CN5, particle_type3=CN2, particle_type4=NN1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN4, particle_type2=CN4, particle_type3=NN2B, particle_type4=CN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=6.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN4, particle_type2=CN4, particle_type3=NN2, particle_type4=HN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.200000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN4, particle_type2=CN4, particle_type3=NN2, particle_type4=CN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=6.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HB, particle_type2=CP1, particle_type3=N, particle_type4=CP3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.100000, n_1=3, delta_1=0.000000; torsion: particle_type1=HB, particle_type2=CP1, particle_type3=N, particle_type4=C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.800000, n_1=3, delta_1=0.000000; torsion: particle_type1=HB, particle_type2=CP1, particle_type3=NP, particle_type4=CP3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.080000, n_1=3, delta_1=0.000000; torsion: particle_type1=HB, particle_type2=CT3, particle_type3=NH1, particle_type4=H, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=HB, particle_type2=CT3, particle_type3=NH1, particle_type4=C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=HB, particle_type2=CT1, particle_type3=NH1, particle_type4=H, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=HB, particle_type2=CT1, particle_type3=NH1, particle_type4=C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=HB, particle_type2=CT2, particle_type3=NH1, particle_type4=H, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=HB, particle_type2=CT2, particle_type3=NH1, particle_type4=C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=NN3, particle_type2=CN2, particle_type3=CN3D, particle_type4=CN9, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN3, particle_type2=CN2, particle_type3=NN1, particle_type4=HN1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN3, particle_type2=CN2, particle_type3=CN3, particle_type4=HN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.400000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN3, particle_type2=CN2, particle_type3=CN3, particle_type4=CN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.600000, n_1=2, delta_1=180.000000; torsion: particle_type1=HR3, particle_type2=CPH1, particle_type3=NR1, particle_type4=H, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HR3, particle_type2=CPH1, particle_type3=NR1, particle_type4=CPH2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HR3, particle_type2=CPH1, particle_type3=CPH1, particle_type4=CT3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HR3, particle_type2=CPH1, particle_type3=CPH1, particle_type4=HR3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HR3, particle_type2=CPH1, particle_type3=CPH1, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HR3, particle_type2=CPH1, particle_type3=NR2, particle_type4=CPH2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN3A, particle_type2=CN3, particle_type3=CN1A, particle_type4=ON1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.380000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN3A, particle_type2=CN3, particle_type3=CN1A, particle_type4=NN1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.350000, n_1=1, delta_1=180.000000, k_2=0.620000, n_2=2, delta_2=0.000000; torsion: particle_type1=ON1, particle_type2=CN1, particle_type3=NN2G, particle_type4=HN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=ON1, particle_type2=CN1, particle_type3=NN2G, particle_type4=CN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=14.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=ON1, particle_type2=CN1, particle_type3=NN2U, particle_type4=HN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=ON1, particle_type2=CN1, particle_type3=CN5G, particle_type4=CN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=14.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=ON1, particle_type2=CN1, particle_type3=CN5G, particle_type4=NN4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=ON1, particle_type2=CN1T, particle_type3=NN2U, particle_type4=HN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=ON1, particle_type2=CN1T, particle_type3=NN2B, particle_type4=HN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN3A, particle_type2=CN2, particle_type3=CN5, particle_type4=NN4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN3A, particle_type2=CN2, particle_type3=NN1, particle_type4=HN1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN3A, particle_type2=CN5, particle_type3=CN5, particle_type4=CN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN3A, particle_type2=CN5, particle_type3=CN5, particle_type4=NN4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=7.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN3A, particle_type2=CN5, particle_type3=NN2, particle_type4=CN4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN3A, particle_type2=CN4, particle_type3=NN3A, particle_type4=CN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN7B, particle_type2=NR1, particle_type3=CPH1, particle_type4=CPH1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=CN7B, particle_type2=NR1, particle_type3=CPH1, particle_type4=HR3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN7B, particle_type2=NR1, particle_type3=CPH2, particle_type4=NR2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN7B, particle_type2=NR1, particle_type3=CPH2, particle_type4=HR1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN7B, particle_type2=NN2B, particle_type3=CN5, particle_type4=CN5G, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=11.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN7B, particle_type2=NN2B, particle_type3=CN5, particle_type4=NN3G, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=11.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN7B, particle_type2=NN2B, particle_type3=CN4, particle_type4=NN4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=11.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN7B, particle_type2=NN2B, particle_type3=CN4, particle_type4=HN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.300000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN7B, particle_type2=NN2B, particle_type3=CN1T, particle_type4=ON1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=11.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN7B, particle_type2=NN2B, particle_type3=CN1T, particle_type4=NN2U, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=11.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN7B, particle_type2=NN2B, particle_type3=CN3, particle_type4=CN3T, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=11.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN7B, particle_type2=NN2B, particle_type3=CN3, particle_type4=HN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.300000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN7B, particle_type2=NN2, particle_type3=CN5, particle_type4=CN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=11.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN7B, particle_type2=NN2, particle_type3=CN4, particle_type4=NN3A, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=11.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN7B, particle_type2=NN2, particle_type3=CN4, particle_type4=NN4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=11.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN7B, particle_type2=NN2, particle_type3=CN4, particle_type4=HN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.300000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN7B, particle_type2=NN2, particle_type3=CN1, particle_type4=NN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=11.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN7B, particle_type2=NN2, particle_type3=CN1, particle_type4=ON1C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=11.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN7B, particle_type2=NN2, particle_type3=CN3, particle_type4=CN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=11.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN7B, particle_type2=NN2, particle_type3=CN3, particle_type4=HN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.300000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN7B, particle_type2=CN7C, particle_type3=ON5, particle_type4=HN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7B, particle_type2=CN7C, particle_type3=CN7, particle_type4=CN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.400000, n_1=6, delta_1=0.000000; torsion: particle_type1=CN7B, particle_type2=CN7B, particle_type3=NR1, particle_type4=CPH1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.200000, n_1=4, delta_1=0.000000; torsion: particle_type1=CN7B, particle_type2=CN7B, particle_type3=NR1, particle_type4=CPH2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=3, k_1=0.100000, n_1=3, delta_1=180.000000, k_2=0.300000, n_2=2, delta_2=0.000000, k_3=0.000000, n_3=1, delta_3=180.000000; torsion: particle_type1=CN7B, particle_type2=CN7B, particle_type3=ON6B, particle_type4=CN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=6, delta_1=0.000000; torsion: particle_type1=CN7B, particle_type2=CN7B, particle_type3=NN2B, particle_type4=CN4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=180.000000; torsion: particle_type1=CN7B, particle_type2=CN7B, particle_type3=NN2B, particle_type4=CN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7B, particle_type2=CN7B, particle_type3=NN2B, particle_type4=CN1T, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.200000, n_1=3, delta_1=180.000000; torsion: particle_type1=CN7B, particle_type2=CN7B, particle_type3=NN2B, particle_type4=CN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=180.000000; torsion: particle_type1=CN7B, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN3C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7B, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=180.000000; torsion: particle_type1=CN7B, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.300000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7B, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN3B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7B, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7B, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=180.000000; torsion: particle_type1=CN7B, particle_type2=CN7B, particle_type3=CN7, particle_type4=CN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=6, delta_1=0.000000; torsion: particle_type1=CN7B, particle_type2=CN7B, particle_type3=ON2, particle_type4=P, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.500000, n_1=1, delta_1=180.000000; torsion: particle_type1=CN7B, particle_type2=CN8, particle_type3=CN7, particle_type4=CN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.400000, n_1=6, delta_1=0.000000; torsion: particle_type1=CN7B, particle_type2=ON6B, particle_type3=CN7, particle_type4=CN8B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7B, particle_type2=ON6, particle_type3=CN7, particle_type4=CN9, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7B, particle_type2=ON6, particle_type3=CN7, particle_type4=CN8B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.800000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7B, particle_type2=CN7, particle_type3=ON5, particle_type4=HN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.800000, n_1=3, delta_1=0.000000, k_2=0.500000, n_2=1, delta_2=0.000000; torsion: particle_type1=CN7B, particle_type2=CN7, particle_type3=ON2, particle_type4=P, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.500000, n_1=1, delta_1=180.000000; torsion: particle_type1=CN7B, particle_type2=CN7, particle_type3=CN7, particle_type4=ON6B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7B, particle_type2=CN7, particle_type3=CN7, particle_type4=CN8B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.200000, n_1=4, delta_1=180.000000; torsion: particle_type1=CN7B, particle_type2=CN7, particle_type3=CN7, particle_type4=CN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.400000, n_1=6, delta_1=0.000000; torsion: particle_type1=C, particle_type2=N, particle_type3=CP1, particle_type4=C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.800000, n_1=3, delta_1=0.000000; torsion: particle_type1=C, particle_type2=CT1, particle_type3=NH1, particle_type4=C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.200000, n_1=1, delta_1=180.000000; torsion: particle_type1=C, particle_type2=CT2, particle_type3=NH1, particle_type4=C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.200000, n_1=1, delta_1=180.000000; torsion: particle_type1=CN1A, particle_type2=CN3, particle_type3=CN3C, particle_type4=NN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN1A, particle_type2=CN3, particle_type3=CN3B, particle_type4=HN3B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN1A, particle_type2=CN3, particle_type3=CN3, particle_type4=HN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN1A, particle_type2=CN3, particle_type3=CN3A, particle_type4=HN3B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=5.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN3I, particle_type2=CN4, particle_type3=NN2G, particle_type4=HN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN3I, particle_type2=CN4, particle_type3=NN2G, particle_type4=CN1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=CA, particle_type2=CY, particle_type3=CPT, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CA, particle_type2=ON2b, particle_type3=P, particle_type4=ON3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.100000, n_1=3, delta_1=0.000000; torsion: particle_type1=CA, particle_type2=ON2b, particle_type3=P, particle_type4=ON4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.950000, n_1=2, delta_1=0.000000, k_2=0.500000, n_2=3, delta_2=0.000000; torsion: particle_type1=CA, particle_type2=CPT, particle_type3=CPT, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.100000, n_1=2, delta_1=180.000000; torsion: particle_type1=CA, particle_type2=NY, particle_type3=CPT, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CA, particle_type2=CA, particle_type3=ON2b, particle_type4=P, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=1.400000, n_1=2, delta_1=180.000000, k_2=0.200000, n_2=3, delta_2=180.000000; torsion: particle_type1=CA, particle_type2=CA, particle_type3=CA, particle_type4=ON2b, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.100000, n_1=2, delta_1=180.000000; torsion: particle_type1=CA, particle_type2=CA, particle_type3=CA, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.100000, n_1=2, delta_1=180.000000; torsion: particle_type1=CA, particle_type2=CT2, particle_type3=CT1, particle_type4=C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.040000, n_1=3, delta_1=0.000000; torsion: particle_type1=NN2G, particle_type2=CN2, particle_type3=NN3G, particle_type4=CN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN2G, particle_type2=CN2, particle_type3=NN1, particle_type4=HN1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.200000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN2G, particle_type2=CN4, particle_type3=NN3I, particle_type4=CN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=6.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN2G, particle_type2=CN1, particle_type3=CN5G, particle_type4=NN4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN5, particle_type2=NN3A, particle_type3=CN4, particle_type4=HN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=8.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN5, particle_type2=CN2, particle_type3=NN3A, particle_type4=CN4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=10.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN5, particle_type2=CN2, particle_type3=NN1, particle_type4=HN1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN5, particle_type2=CN5, particle_type3=CN2, particle_type4=NN3A, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.800000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN5, particle_type2=CN5, particle_type3=CN2, particle_type4=NN1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=4.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN5, particle_type2=CN5, particle_type3=NN4, particle_type4=CN4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=6.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN5, particle_type2=CN5, particle_type3=NN3I, particle_type4=CN4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=6.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN5, particle_type2=CN5, particle_type3=NN2, particle_type4=HN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.200000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN5, particle_type2=NN2B, particle_type3=CN8, particle_type4=CN9, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.190000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN5, particle_type2=NN2B, particle_type3=CN8, particle_type4=HN8, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.190000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN5, particle_type2=NN2B, particle_type3=CN9, particle_type4=HN9, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.190000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN5, particle_type2=CN5G, particle_type3=NN4, particle_type4=CN4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=6.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN5, particle_type2=CN5G, particle_type3=CN1, particle_type4=NN2G, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.200000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN5, particle_type2=NN4, particle_type3=CN4, particle_type4=NN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=14.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN5, particle_type2=NN4, particle_type3=CN4, particle_type4=HN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=5.200000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN5, particle_type2=NN2, particle_type3=CN9, particle_type4=HN9, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.190000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN5, particle_type2=NN2, particle_type3=CN4, particle_type4=HN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=5.200000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN4, particle_type2=NN3A, particle_type3=CN2, particle_type4=NN1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=4.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN4, particle_type2=NN3A, particle_type3=CN5, particle_type4=CN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.800000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN4, particle_type2=NN3A, particle_type3=CN5, particle_type4=NN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN4, particle_type2=NN2B, particle_type3=CN8, particle_type4=CN9, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN4, particle_type2=NN2B, particle_type3=CN8, particle_type4=HN8, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN4, particle_type2=NN2B, particle_type3=CN9, particle_type4=HN9, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN4, particle_type2=NN2B, particle_type3=CN5, particle_type4=CN5G, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=6.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN4, particle_type2=NN2, particle_type3=CN9, particle_type4=HN9, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN4, particle_type2=NN2, particle_type3=CN5, particle_type4=CN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=6.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN5G, particle_type2=NN4, particle_type3=CN4, particle_type4=NN2B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=16.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN5G, particle_type2=CN1, particle_type3=NN2G, particle_type4=CN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.200000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=NN2, particle_type3=CN3C, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.100000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=NN2, particle_type3=CN3B, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN3, particle_type3=CN3T, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN3, particle_type3=CN3C, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.100000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN3, particle_type3=CN8, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=3, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN3, particle_type3=CN3B, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN3, particle_type3=NN2B, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN3, particle_type3=NN2, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN3, particle_type3=CN3A, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN3, particle_type3=CN3, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CPA, particle_type3=CPB, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=2, delta_1=0.000000; torsion: particle_type1=X, particle_type2=CPA, particle_type3=CPM, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=2, delta_1=0.000000; torsion: particle_type1=X, particle_type2=CN2, particle_type3=NN3A, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN2, particle_type3=CN5, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN2, particle_type3=NN2G, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN2, particle_type3=NN3G, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN2, particle_type3=NN3, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN2, particle_type3=CN3, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.800000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CD, particle_type3=OH1, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.050000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CD, particle_type3=OS, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.050000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN8, particle_type3=CN9, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.150000, n_1=3, delta_1=0.000000; torsion: particle_type1=X, particle_type2=CN8, particle_type3=CN8, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.150000, n_1=3, delta_1=0.000000; torsion: particle_type1=X, particle_type2=CP2, particle_type3=CP2, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.160000, n_1=3, delta_1=0.000000; torsion: particle_type1=X, particle_type2=C, particle_type3=NC2, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.250000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=C, particle_type3=C, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=4.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN1, particle_type3=CN3T, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN1, particle_type3=NN2U, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.900000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN1, particle_type3=NN2G, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.900000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN1, particle_type3=CN5G, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN1, particle_type3=NN3, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN1, particle_type3=NN2, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.900000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN1, particle_type3=CN3, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN1T, particle_type3=NN2U, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.900000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN1T, particle_type3=NN2B, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.900000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=FE, particle_type3=OM, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=4, delta_1=0.000000; torsion: particle_type1=X, particle_type2=FE, particle_type3=CM, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.050000, n_1=4, delta_1=0.000000; torsion: particle_type1=X, particle_type2=FE, particle_type3=NPH, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=2, delta_1=0.000000; torsion: particle_type1=X, particle_type2=CPB, particle_type3=CT3, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=6, delta_1=0.000000; torsion: particle_type1=X, particle_type2=CPB, particle_type3=C, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CPB, particle_type3=CPB, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=2, delta_1=0.000000; torsion: particle_type1=X, particle_type2=CPB, particle_type3=CT2, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=6, delta_1=0.000000; torsion: particle_type1=X, particle_type2=CN5, particle_type3=NN3A, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN5, particle_type3=CN5, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN5, particle_type3=NN4, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN5, particle_type3=NN2B, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN5, particle_type3=NN3G, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN5, particle_type3=NN3I, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN5, particle_type3=NN2, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN4, particle_type3=NN3A, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN4, particle_type3=NN4, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN4, particle_type3=NN2B, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN4, particle_type3=NN3I, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN4, particle_type3=NN2, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CT3, particle_type3=CC, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.050000, n_1=6, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CT3, particle_type3=CT3, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.155000, n_1=3, delta_1=0.000000; torsion: particle_type1=X, particle_type2=CT3, particle_type3=NH3, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.090000, n_1=3, delta_1=0.000000; torsion: particle_type1=X, particle_type2=CT3, particle_type3=NC2, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=6, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CT3, particle_type3=CD, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=6, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CT3, particle_type3=OH1, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.140000, n_1=3, delta_1=0.000000; torsion: particle_type1=X, particle_type2=CT3, particle_type3=OS, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=-0.100000, n_1=3, delta_1=0.000000; torsion: particle_type1=X, particle_type2=CT3, particle_type3=CA, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=6, delta_1=0.000000; torsion: particle_type1=X, particle_type2=CT3, particle_type3=NH2, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.110000, n_1=3, delta_1=0.000000; torsion: particle_type1=X, particle_type2=CN5G, particle_type3=CN5, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CN5G, particle_type3=NN4, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CT1, particle_type3=CC, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.050000, n_1=6, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CT1, particle_type3=CT3, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.200000, n_1=3, delta_1=0.000000; torsion: particle_type1=X, particle_type2=CT1, particle_type3=CT1, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.200000, n_1=3, delta_1=0.000000; torsion: particle_type1=X, particle_type2=CT1, particle_type3=NH3, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.100000, n_1=3, delta_1=0.000000; torsion: particle_type1=X, particle_type2=CT1, particle_type3=CT2, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.200000, n_1=3, delta_1=0.000000; torsion: particle_type1=X, particle_type2=CT1, particle_type3=CD, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=6, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CT1, particle_type3=OH1, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.140000, n_1=3, delta_1=0.000000; torsion: particle_type1=X, particle_type2=CT1, particle_type3=OS, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=-0.100000, n_1=3, delta_1=0.000000; torsion: particle_type1=X, particle_type2=NN1, particle_type3=CN1A, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CE2, particle_type3=CE2, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=4.900000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CT2, particle_type3=CC, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.050000, n_1=6, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CT2, particle_type3=CT3, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.160000, n_1=3, delta_1=0.000000; torsion: particle_type1=X, particle_type2=CT2, particle_type3=NH3, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.100000, n_1=3, delta_1=0.000000; torsion: particle_type1=X, particle_type2=CT2, particle_type3=CT2, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=X, particle_type2=CT2, particle_type3=NC2, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=6, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CT2, particle_type3=CD, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=6, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CT2, particle_type3=OH1, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.140000, n_1=3, delta_1=0.000000; torsion: particle_type1=X, particle_type2=CT2, particle_type3=OS, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=-0.100000, n_1=3, delta_1=0.000000; torsion: particle_type1=X, particle_type2=CT2, particle_type3=CA, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=6, delta_1=0.000000; torsion: particle_type1=X, particle_type2=CP1, particle_type3=CD, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=6, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CP1, particle_type3=CC, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=6, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CP1, particle_type3=CP2, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.140000, n_1=3, delta_1=0.000000; torsion: particle_type1=X, particle_type2=CP1, particle_type3=C, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=6, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CP3, particle_type3=CP2, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.140000, n_1=3, delta_1=0.000000; torsion: particle_type1=X, particle_type2=ON4, particle_type3=P, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.300000, n_1=3, delta_1=0.000000; torsion: particle_type1=X, particle_type2=CPT, particle_type3=CPT, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=CE1, particle_type3=CE1, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=5.200000, n_1=2, delta_1=180.000000; torsion: particle_type1=X, particle_type2=NPH, particle_type3=CPA, particle_type4=X, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=2, delta_1=0.000000; torsion: particle_type1=CPH2, particle_type2=NR1, particle_type3=CPH1, particle_type4=CPH1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=14.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CPH2, particle_type2=NR2, particle_type3=CPH1, particle_type4=CPH1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=14.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CPH2, particle_type2=NR3, particle_type3=CPH1, particle_type4=CPH1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=12.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HS, particle_type2=S, particle_type3=CT3, particle_type4=HA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.200000, n_1=3, delta_1=0.000000; torsion: particle_type1=HS, particle_type2=S, particle_type3=CT2, particle_type4=CT3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=3, k_1=0.240000, n_1=1, delta_1=0.000000, k_2=0.150000, n_2=2, delta_2=0.000000, k_3=0.270000, n_3=3, delta_3=0.000000; torsion: particle_type1=HS, particle_type2=S, particle_type3=CT2, particle_type4=CT1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=3, k_1=0.240000, n_1=1, delta_1=0.000000, k_2=0.150000, n_2=2, delta_2=0.000000, k_3=0.270000, n_3=3, delta_3=0.000000; torsion: particle_type1=HS, particle_type2=S, particle_type3=CT2, particle_type4=HA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.200000, n_1=3, delta_1=0.000000; torsion: particle_type1=NN3G, particle_type2=CN2, particle_type3=NN1, particle_type4=HN1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.200000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN3G, particle_type2=CN5, particle_type3=NN2B, particle_type4=CN4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN3G, particle_type2=CN5, particle_type3=CN5G, particle_type4=NN4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=10.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN3G, particle_type2=CN5, particle_type3=CN5G, particle_type4=CN1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=P, particle_type2=ON2, particle_type3=CN9, particle_type4=HN9, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=P, particle_type2=ON2, particle_type3=CN8, particle_type4=HN8, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=P, particle_type2=ON2, particle_type3=CN7B, particle_type4=HN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=P, particle_type2=ON2, particle_type3=P2, particle_type4=ON3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.100000, n_1=2, delta_1=0.000000, k_2=0.030000, n_2=3, delta_2=0.000000; torsion: particle_type1=P, particle_type2=ON2, particle_type3=P2, particle_type4=ON2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.030000, n_1=2, delta_1=0.000000, k_2=0.030000, n_2=3, delta_2=0.000000; torsion: particle_type1=P, particle_type2=ON2, particle_type3=P, particle_type4=ON3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.100000, n_1=2, delta_1=0.000000, k_2=0.030000, n_2=3, delta_2=0.000000; torsion: particle_type1=P, particle_type2=ON2, particle_type3=P, particle_type4=ON2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.030000, n_1=2, delta_1=0.000000, k_2=0.030000, n_2=3, delta_2=0.000000; torsion: particle_type1=P, particle_type2=ON2, particle_type3=CN8B, particle_type4=HN8, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=P, particle_type2=ON2, particle_type3=CN7, particle_type4=HN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7C, particle_type3=ON5, particle_type4=HN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7C, particle_type3=CN7B, particle_type4=NN2B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7C, particle_type3=CN7B, particle_type4=ON6, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7C, particle_type3=CN7B, particle_type4=NN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7C, particle_type3=CN7, particle_type4=CN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7B, particle_type3=NR1, particle_type4=CPH1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7B, particle_type3=NR1, particle_type4=CPH2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7B, particle_type3=NN2B, particle_type4=CN4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7B, particle_type3=NN2B, particle_type4=CN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7B, particle_type3=NN2B, particle_type4=CN1T, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7B, particle_type3=NN2B, particle_type4=CN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN3C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN3B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7B, particle_type3=CN7C, particle_type4=ON5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7B, particle_type3=CN7C, particle_type4=HN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7B, particle_type3=CN7C, particle_type4=CN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7B, particle_type3=ON5, particle_type4=HN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7B, particle_type3=CN7B, particle_type4=NR1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7B, particle_type3=CN7B, particle_type4=ON6B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7B, particle_type3=CN7B, particle_type4=NN2B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7B, particle_type3=CN7B, particle_type4=HN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7B, particle_type3=CN7B, particle_type4=NN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7B, particle_type3=CN7B, particle_type4=CN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7B, particle_type3=CN7B, particle_type4=ON2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7B, particle_type3=CN8, particle_type4=HN8, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7B, particle_type3=CN8, particle_type4=CN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7B, particle_type3=ON6B, particle_type4=CN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7B, particle_type3=ON6, particle_type4=CN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7B, particle_type3=CN7, particle_type4=CN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7, particle_type3=CN7C, particle_type4=CN7B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7, particle_type3=CN7C, particle_type4=HN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7, particle_type3=CN8, particle_type4=CN7B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7, particle_type3=CN8, particle_type4=HN8, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7, particle_type3=ON5, particle_type4=HN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7, particle_type3=CN7B, particle_type4=CN7B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7, particle_type3=CN7B, particle_type4=ON5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7, particle_type3=CN7B, particle_type4=ON6, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7, particle_type3=CN7B, particle_type4=HN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7, particle_type3=CN7B, particle_type4=NN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7, particle_type3=CN7B, particle_type4=ON2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7, particle_type3=ON6B, particle_type4=CN7B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7, particle_type3=CN8B, particle_type4=ON5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7, particle_type3=CN8B, particle_type4=HN8, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7, particle_type3=CN8B, particle_type4=ON2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7, particle_type3=ON6, particle_type4=CN7B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7, particle_type3=CN7, particle_type4=HN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7, particle_type3=CN7, particle_type4=ON2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7, particle_type3=CN7, particle_type4=CN7C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7, particle_type3=CN7, particle_type4=CN7B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7, particle_type3=CN7, particle_type4=ON5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7, particle_type3=CN7, particle_type4=CN8, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7, particle_type3=CN7, particle_type4=ON6B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=180.000000; torsion: particle_type1=HN7, particle_type2=CN7, particle_type3=CN7, particle_type4=CN8B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=HN7, particle_type2=CN7, particle_type3=CN7, particle_type4=ON6, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=180.000000; torsion: particle_type1=HN7, particle_type2=CN7, particle_type3=CN7, particle_type4=CN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.195000, n_1=3, delta_1=0.000000; torsion: particle_type1=NN1, particle_type2=CN2, particle_type3=CN3D, particle_type4=CN9, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN1, particle_type2=CN2, particle_type3=CN3D, particle_type4=CN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN1, particle_type2=CN2, particle_type3=NN2G, particle_type4=HN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN1, particle_type2=CN2, particle_type3=NN2G, particle_type4=CN1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=4.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN1, particle_type2=CN2, particle_type3=NN3G, particle_type4=CN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=4.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN1, particle_type2=CN2, particle_type3=NN3, particle_type4=CN1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN1, particle_type2=CN2, particle_type3=CN3, particle_type4=HN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN1, particle_type2=CN2, particle_type3=CN3, particle_type4=CN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HE1, particle_type2=CE1, particle_type3=CT3, particle_type4=HA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.340000, n_1=3, delta_1=0.000000; torsion: particle_type1=HE1, particle_type2=CE1, particle_type3=CE2, particle_type4=HE2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=5.200000, n_1=2, delta_1=180.000000; torsion: particle_type1=HE1, particle_type2=CE1, particle_type3=CT2, particle_type4=CT3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.120000, n_1=3, delta_1=0.000000; torsion: particle_type1=HE1, particle_type2=CE1, particle_type3=CT2, particle_type4=HA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.870000, n_1=3, delta_1=0.000000; torsion: particle_type1=NP, particle_type2=CP1, particle_type3=CC, particle_type4=NH2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.300000, n_1=1, delta_1=0.000000; torsion: particle_type1=NP, particle_type2=CP1, particle_type3=C, particle_type4=N, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.300000, n_1=1, delta_1=0.000000; torsion: particle_type1=NP, particle_type2=CP1, particle_type3=C, particle_type4=NH1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.300000, n_1=1, delta_1=0.000000; torsion: particle_type1=CE2, particle_type2=CE1, particle_type3=CT3, particle_type4=HA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.050000, n_1=3, delta_1=180.000000; torsion: particle_type1=CE2, particle_type2=CE1, particle_type3=CT2, particle_type4=CT3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.500000, n_1=3, delta_1=0.000000; torsion: particle_type1=CE2, particle_type2=CE1, particle_type3=CT2, particle_type4=HA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.120000, n_1=3, delta_1=0.000000; torsion: particle_type1=NR3, particle_type2=CPH1, particle_type3=CPH1, particle_type4=CT3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=NR3, particle_type2=CPH1, particle_type3=CPH1, particle_type4=HR1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=NR3, particle_type2=CPH1, particle_type3=CPH1, particle_type4=NR3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=12.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NR3, particle_type2=CPH1, particle_type3=CPH1, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=NR3, particle_type2=CPH1, particle_type3=CT3, particle_type4=HA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.190000, n_1=3, delta_1=0.000000; torsion: particle_type1=NR3, particle_type2=CPH1, particle_type3=CT2, particle_type4=CT3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.190000, n_1=3, delta_1=0.000000; torsion: particle_type1=NR3, particle_type2=CPH1, particle_type3=CT2, particle_type4=CT1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.190000, n_1=3, delta_1=0.000000; torsion: particle_type1=NR3, particle_type2=CPH1, particle_type3=CT2, particle_type4=HA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.190000, n_1=3, delta_1=0.000000; torsion: particle_type1=NR3, particle_type2=CPH1, particle_type3=CT2, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.190000, n_1=3, delta_1=0.000000; torsion: particle_type1=NR3, particle_type2=CPH2, particle_type3=NR3, particle_type4=H, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.400000, n_1=2, delta_1=180.000000; torsion: particle_type1=NR3, particle_type2=CPH2, particle_type3=NR3, particle_type4=CPH1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=12.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=SM, particle_type2=SM, particle_type3=CT3, particle_type4=HA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.158000, n_1=3, delta_1=0.000000; torsion: particle_type1=SM, particle_type2=SM, particle_type3=CT2, particle_type4=CT1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.310000, n_1=3, delta_1=0.000000; torsion: particle_type1=SM, particle_type2=SM, particle_type3=CT2, particle_type4=HA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.158000, n_1=3, delta_1=0.000000; torsion: particle_type1=SM, particle_type2=SM, particle_type3=CT2, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.310000, n_1=3, delta_1=0.000000; torsion: particle_type1=SM, particle_type2=CT2, particle_type3=CT2, particle_type4=HA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.010000, n_1=3, delta_1=0.000000; torsion: particle_type1=HE2, particle_type2=CE2, particle_type3=CE1, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=5.200000, n_1=2, delta_1=180.000000; torsion: particle_type1=HN3, particle_type2=CN4, particle_type3=NN2G, particle_type4=HN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=HN3, particle_type2=CN4, particle_type3=NN2G, particle_type4=CN1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=HN3, particle_type2=CN4, particle_type3=NN2B, particle_type4=HN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HN3, particle_type2=CN4, particle_type3=NN2B, particle_type4=CN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=5.600000, n_1=2, delta_1=180.000000; torsion: particle_type1=HN3, particle_type2=CN4, particle_type3=NN4, particle_type4=CN5G, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=5.600000, n_1=2, delta_1=180.000000; torsion: particle_type1=HN3, particle_type2=CN3, particle_type3=CN1, particle_type4=ON1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=6.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HN3, particle_type2=CN3, particle_type3=CN3, particle_type4=HN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN9, particle_type2=CN8, particle_type3=CN8, particle_type4=CN8, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.150000, n_1=1, delta_1=0.000000; torsion: particle_type1=CN9, particle_type2=CN8, particle_type3=CN8, particle_type4=CN9, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.150000, n_1=1, delta_1=0.000000; torsion: particle_type1=HN2, particle_type2=NN2G, particle_type3=CN2, particle_type4=NN3G, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.600000, n_1=2, delta_1=180.000000; torsion: particle_type1=HN2, particle_type2=NN2G, particle_type3=CN1, particle_type4=CN5G, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.600000, n_1=2, delta_1=180.000000; torsion: particle_type1=HN2, particle_type2=NN2B, particle_type3=CN4, particle_type4=NN4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.200000, n_1=2, delta_1=180.000000; torsion: particle_type1=HN2, particle_type2=NN2B, particle_type3=CN5, particle_type4=CN5G, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.200000, n_1=2, delta_1=180.000000; torsion: particle_type1=HN2, particle_type2=NN2B, particle_type3=CN5, particle_type4=NN3G, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.200000, n_1=2, delta_1=180.000000; torsion: particle_type1=HN2, particle_type2=NN2B, particle_type3=CN3, particle_type4=HN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=HN2, particle_type2=NN2, particle_type3=CN3C, particle_type4=HN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=4.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HN2, particle_type2=NN2, particle_type3=CN4, particle_type4=HN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HN2, particle_type2=NN2, particle_type3=CN3B, particle_type4=HN3B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CC, particle_type2=CP1, particle_type3=N, particle_type4=C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.800000, n_1=3, delta_1=0.000000; torsion: particle_type1=CC, particle_type2=CT1, particle_type3=NH1, particle_type4=C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.200000, n_1=1, delta_1=180.000000; torsion: particle_type1=CC, particle_type2=CT1, particle_type3=CT2, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.040000, n_1=3, delta_1=0.000000; torsion: particle_type1=CC, particle_type2=CT2, particle_type3=NH1, particle_type4=C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.200000, n_1=1, delta_1=180.000000; torsion: particle_type1=ON3, particle_type2=P, particle_type3=ON2, particle_type4=CN9, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.100000, n_1=3, delta_1=0.000000; torsion: particle_type1=ON3, particle_type2=P, particle_type3=ON2, particle_type4=CN8, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.100000, n_1=3, delta_1=0.000000; torsion: particle_type1=ON3, particle_type2=P, particle_type3=ON2, particle_type4=CN7B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.100000, n_1=3, delta_1=0.000000; torsion: particle_type1=ON3, particle_type2=P, particle_type3=ON2, particle_type4=CN8B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.100000, n_1=3, delta_1=0.000000; torsion: particle_type1=ON3, particle_type2=P, particle_type3=ON2, particle_type4=CN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.100000, n_1=3, delta_1=0.000000; torsion: particle_type1=N, particle_type2=CT1, particle_type3=CT2, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.040000, n_1=3, delta_1=0.000000; torsion: particle_type1=N, particle_type2=C, particle_type3=CP1, particle_type4=CP2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.400000, n_1=1, delta_1=0.000000, k_2=0.600000, n_2=2, delta_2=0.000000; torsion: particle_type1=N, particle_type2=C, particle_type3=CP1, particle_type4=N, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.300000, n_1=1, delta_1=0.000000, k_2=-0.300000, n_2=4, delta_2=0.000000; torsion: particle_type1=N, particle_type2=C, particle_type3=CP1, particle_type4=HB, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.400000, n_1=1, delta_1=180.000000, k_2=0.600000, n_2=2, delta_2=0.000000; torsion: particle_type1=N, particle_type2=C, particle_type3=CT3, particle_type4=HA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=N, particle_type2=C, particle_type3=CT1, particle_type4=CT3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=N, particle_type2=C, particle_type3=CT1, particle_type4=HB, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=N, particle_type2=C, particle_type3=CT1, particle_type4=CT1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=N, particle_type2=C, particle_type3=CT1, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=N, particle_type2=C, particle_type3=CT2, particle_type4=HB, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=NH3, particle_type2=CT1, particle_type3=CC, particle_type4=NH2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.400000, n_1=1, delta_1=0.000000; torsion: particle_type1=NH3, particle_type2=CT1, particle_type3=C, particle_type4=N, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.400000, n_1=1, delta_1=0.000000; torsion: particle_type1=NH3, particle_type2=CT1, particle_type3=C, particle_type4=NH1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.600000, n_1=1, delta_1=0.000000; torsion: particle_type1=NH3, particle_type2=CT2, particle_type3=CC, particle_type4=NH2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.400000, n_1=1, delta_1=0.000000; torsion: particle_type1=NH3, particle_type2=CT2, particle_type3=C, particle_type4=N, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.400000, n_1=1, delta_1=0.000000; torsion: particle_type1=NH3, particle_type2=CT2, particle_type3=C, particle_type4=NH1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.400000, n_1=1, delta_1=0.000000; torsion: particle_type1=CN2, particle_type2=CN3D, particle_type3=CN9, particle_type4=HN9, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.350000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN2, particle_type2=CN3D, particle_type3=CN3, particle_type4=HN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=4.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN2, particle_type2=NN3A, particle_type3=CN4, particle_type4=NN3A, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.800000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN2, particle_type2=NN3A, particle_type3=CN4, particle_type4=HN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=8.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN2, particle_type2=CN5, particle_type3=CN5, particle_type4=NN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=7.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN2, particle_type2=CN5, particle_type3=NN4, particle_type4=CN4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN2, particle_type2=NN3G, particle_type3=CN5, particle_type4=NN2B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN2, particle_type2=NN3G, particle_type3=CN5, particle_type4=CN5G, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.200000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN2, particle_type2=CN3, particle_type3=CN3, particle_type4=NN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=6.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN2, particle_type2=CN3, particle_type3=CN3, particle_type4=HN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=4.600000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN8, particle_type2=CN8, particle_type3=CN7B, particle_type4=NR1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN8, particle_type2=CN7B, particle_type3=NR1, particle_type4=CPH1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.200000, n_1=4, delta_1=0.000000; torsion: particle_type1=CN8, particle_type2=CN7B, particle_type3=NR1, particle_type4=CPH2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=3, k_1=0.100000, n_1=3, delta_1=180.000000, k_2=0.300000, n_2=2, delta_2=0.000000, k_3=0.000000, n_3=1, delta_3=180.000000; torsion: particle_type1=CN8, particle_type2=CN7B, particle_type3=NN2B, particle_type4=CN4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=180.000000; torsion: particle_type1=CN8, particle_type2=CN7B, particle_type3=NN2B, particle_type4=CN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN8, particle_type2=CN7B, particle_type3=NN2B, particle_type4=CN1T, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.200000, n_1=3, delta_1=180.000000; torsion: particle_type1=CN8, particle_type2=CN7B, particle_type3=NN2B, particle_type4=CN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=180.000000; torsion: particle_type1=CN8, particle_type2=CN7B, particle_type3=ON6, particle_type4=CN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.600000, n_1=6, delta_1=180.000000; torsion: particle_type1=CN8, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=180.000000; torsion: particle_type1=CN8, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.300000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN8, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN8, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=180.000000; torsion: particle_type1=CN8, particle_type2=ON6, particle_type3=CN7B, particle_type4=NR1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN8, particle_type2=CN7, particle_type3=ON5, particle_type4=HN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=3, k_1=0.500000, n_1=3, delta_1=0.000000, k_2=1.000000, n_2=2, delta_2=180.000000, k_3=0.300000, n_3=1, delta_3=0.000000; torsion: particle_type1=CN8, particle_type2=CN7, particle_type3=ON2, particle_type4=P, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.500000, n_1=1, delta_1=180.000000; torsion: particle_type1=CN8, particle_type2=CN7, particle_type3=CN7, particle_type4=CN8B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.500000, n_1=4, delta_1=180.000000; torsion: particle_type1=CN8, particle_type2=CN7, particle_type3=CN7, particle_type4=ON6, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN8, particle_type2=CN3, particle_type3=CN3C, particle_type4=NN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.100000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN8, particle_type2=CN3, particle_type3=CN1A, particle_type4=ON1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=3, k_1=1.000000, n_1=2, delta_1=180.000000, k_2=1.000000, n_2=3, delta_2=0.000000, k_3=0.400000, n_3=6, delta_3=0.000000; torsion: particle_type1=CN8, particle_type2=CN3, particle_type3=CN1A, particle_type4=NN1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=3, k_1=0.500000, n_1=2, delta_1=180.000000, k_2=0.350000, n_2=3, delta_2=180.000000, k_3=0.400000, n_3=6, delta_3=0.000000; torsion: particle_type1=HR1, particle_type2=CPH1, particle_type3=CPH1, particle_type4=CT3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HR1, particle_type2=CPH1, particle_type3=CPH1, particle_type4=HR1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HR1, particle_type2=CPH1, particle_type3=CPH1, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HR1, particle_type2=CPH1, particle_type3=NR3, particle_type4=H, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HR1, particle_type2=CPH1, particle_type3=NR3, particle_type4=CPH2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=HR1, particle_type2=CPH2, particle_type3=NR1, particle_type4=H, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HR1, particle_type2=CPH2, particle_type3=NR1, particle_type4=CPH1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HR1, particle_type2=CPH2, particle_type3=NR2, particle_type4=CPH1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NH1, particle_type2=CT1, particle_type3=C, particle_type4=N, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.400000, n_1=1, delta_1=0.000000; torsion: particle_type1=NH1, particle_type2=C, particle_type3=CP1, particle_type4=CP2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.400000, n_1=1, delta_1=0.000000, k_2=0.600000, n_2=2, delta_2=0.000000; torsion: particle_type1=NH1, particle_type2=C, particle_type3=CP1, particle_type4=N, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.300000, n_1=1, delta_1=0.000000, k_2=-0.300000, n_2=4, delta_2=0.000000; torsion: particle_type1=NH1, particle_type2=C, particle_type3=CP1, particle_type4=HB, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.400000, n_1=1, delta_1=180.000000, k_2=0.600000, n_2=2, delta_2=0.000000; torsion: particle_type1=NH1, particle_type2=C, particle_type3=CT3, particle_type4=HA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=NH1, particle_type2=C, particle_type3=CT1, particle_type4=CT3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=NH1, particle_type2=C, particle_type3=CT1, particle_type4=HB, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=NH1, particle_type2=C, particle_type3=CT1, particle_type4=CT1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=NH1, particle_type2=C, particle_type3=CT1, particle_type4=NH1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.600000, n_1=1, delta_1=0.000000; torsion: particle_type1=NH1, particle_type2=C, particle_type3=CT1, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=NH1, particle_type2=C, particle_type3=CT2, particle_type4=HB, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=NH1, particle_type2=C, particle_type3=CT2, particle_type4=HA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=NH1, particle_type2=C, particle_type3=CT2, particle_type4=NH1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.600000, n_1=1, delta_1=0.000000; torsion: particle_type1=NH1, particle_type2=C, particle_type3=CT2, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=NH1, particle_type2=CT2, particle_type3=C, particle_type4=N, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.400000, n_1=1, delta_1=0.000000; torsion: particle_type1=NH2, particle_type2=CC, particle_type3=CP1, particle_type4=CP2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.400000, n_1=1, delta_1=0.000000, k_2=0.600000, n_2=2, delta_2=0.000000; torsion: particle_type1=NH2, particle_type2=CC, particle_type3=CP1, particle_type4=N, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.300000, n_1=1, delta_1=0.000000, k_2=-0.300000, n_2=4, delta_2=0.000000; torsion: particle_type1=NH2, particle_type2=CC, particle_type3=CP1, particle_type4=HB, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.400000, n_1=1, delta_1=180.000000, k_2=0.600000, n_2=2, delta_2=0.000000; torsion: particle_type1=NH2, particle_type2=CC, particle_type3=CT2, particle_type4=HA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=180.000000; torsion: particle_type1=NN2B, particle_type2=CN7B, particle_type3=CN7B, particle_type4=ON5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=NN2B, particle_type2=CN5, particle_type3=CN5G, particle_type4=NN4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=10.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN2B, particle_type2=CN1, particle_type3=CN3T, particle_type4=CN9, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=5.600000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN2B, particle_type2=CN1T, particle_type3=NN2U, particle_type4=HN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.800000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN2B, particle_type2=CN1T, particle_type3=NN2U, particle_type4=CN1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=NN2B, particle_type2=CN3, particle_type3=CN3T, particle_type4=CN9, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=5.600000, n_1=2, delta_1=180.000000; torsion: particle_type1=HA, particle_type2=CY, particle_type3=CPT, particle_type4=CPT, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HA, particle_type2=CY, particle_type3=CPT, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HA, particle_type2=CY, particle_type3=CA, particle_type4=CPT, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.200000, n_1=2, delta_1=180.000000; torsion: particle_type1=HA, particle_type2=CY, particle_type3=CA, particle_type4=HA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.200000, n_1=2, delta_1=180.000000; torsion: particle_type1=HA, particle_type2=CP3, particle_type3=N, particle_type4=CP1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.100000, n_1=3, delta_1=0.000000; torsion: particle_type1=HA, particle_type2=CP3, particle_type3=N, particle_type4=C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=180.000000; torsion: particle_type1=HA, particle_type2=CP3, particle_type3=NP, particle_type4=CP1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.080000, n_1=3, delta_1=0.000000; torsion: particle_type1=HA, particle_type2=CC, particle_type3=NH2, particle_type4=H, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.400000, n_1=2, delta_1=180.000000; torsion: particle_type1=HA, particle_type2=CT3, particle_type3=S, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.280000, n_1=3, delta_1=0.000000; torsion: particle_type1=HA, particle_type2=CT3, particle_type3=CS, particle_type4=HA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.160000, n_1=3, delta_1=0.000000; torsion: particle_type1=HA, particle_type2=CT3, particle_type3=CPH1, particle_type4=CPH1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=HA, particle_type2=CT3, particle_type3=NH1, particle_type4=H, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=HA, particle_type2=CT3, particle_type3=NH1, particle_type4=C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=HA, particle_type2=CT3, particle_type3=CT2, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.040000, n_1=3, delta_1=0.000000; torsion: particle_type1=HA, particle_type2=CT1, particle_type3=CT2, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.040000, n_1=3, delta_1=0.000000; torsion: particle_type1=HA, particle_type2=CA, particle_type3=CY, particle_type4=CPT, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.200000, n_1=2, delta_1=180.000000; torsion: particle_type1=HA, particle_type2=CA, particle_type3=CY, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.200000, n_1=2, delta_1=180.000000; torsion: particle_type1=HA, particle_type2=CA, particle_type3=CPT, particle_type4=CY, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=4.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HA, particle_type2=CA, particle_type3=CPT, particle_type4=CPT, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HA, particle_type2=CA, particle_type3=NY, particle_type4=H, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HA, particle_type2=CA, particle_type3=NY, particle_type4=CPT, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HA, particle_type2=CA, particle_type3=CA, particle_type4=CPT, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=HA, particle_type2=CA, particle_type3=CA, particle_type4=HA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=HA, particle_type2=CA, particle_type3=CA, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=HA, particle_type2=CT2, particle_type3=S, particle_type4=CT3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.280000, n_1=3, delta_1=0.000000; torsion: particle_type1=HA, particle_type2=CT2, particle_type3=CY, particle_type4=CPT, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.250000, n_1=2, delta_1=180.000000; torsion: particle_type1=HA, particle_type2=CT2, particle_type3=CY, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.250000, n_1=2, delta_1=180.000000; torsion: particle_type1=HA, particle_type2=CT2, particle_type3=CPH1, particle_type4=CPH1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=HA, particle_type2=CT2, particle_type3=NH1, particle_type4=H, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=HA, particle_type2=CT2, particle_type3=NH1, particle_type4=C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7C, particle_type2=CN7B, particle_type3=NN2B, particle_type4=CN4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=180.000000; torsion: particle_type1=CN7C, particle_type2=CN7B, particle_type3=NN2B, particle_type4=CN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7C, particle_type2=CN7B, particle_type3=NN2B, particle_type4=CN1T, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.200000, n_1=3, delta_1=180.000000; torsion: particle_type1=CN7C, particle_type2=CN7B, particle_type3=NN2B, particle_type4=CN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=180.000000; torsion: particle_type1=CN7C, particle_type2=CN7B, particle_type3=ON6, particle_type4=CN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.600000, n_1=6, delta_1=180.000000; torsion: particle_type1=CN7C, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=180.000000; torsion: particle_type1=CN7C, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.300000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7C, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7C, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=180.000000; torsion: particle_type1=CN7C, particle_type2=CN7, particle_type3=ON5, particle_type4=HN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.800000, n_1=3, delta_1=0.000000, k_2=0.500000, n_2=1, delta_2=0.000000; torsion: particle_type1=CN7C, particle_type2=CN7, particle_type3=ON2, particle_type4=P, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.500000, n_1=1, delta_1=180.000000; torsion: particle_type1=CN7C, particle_type2=CN7, particle_type3=CN7, particle_type4=CN8B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.500000, n_1=4, delta_1=180.000000; torsion: particle_type1=CN7C, particle_type2=CN7, particle_type3=CN7, particle_type4=ON6, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=H, particle_type2=NR1, particle_type3=CPH1, particle_type4=CPH1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=H, particle_type2=NR1, particle_type3=CPH1, particle_type4=CT3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=H, particle_type2=NR1, particle_type3=CPH1, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=H, particle_type2=OH1, particle_type3=CT1, particle_type4=CT3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=3, k_1=1.330000, n_1=1, delta_1=0.000000, k_2=0.180000, n_2=2, delta_2=0.000000, k_3=0.320000, n_3=3, delta_3=0.000000; torsion: particle_type1=H, particle_type2=OH1, particle_type3=CT1, particle_type4=CT1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=3, k_1=1.330000, n_1=1, delta_1=0.000000, k_2=0.180000, n_2=2, delta_2=0.000000, k_3=0.320000, n_3=3, delta_3=0.000000; torsion: particle_type1=H, particle_type2=OH1, particle_type3=CA, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.990000, n_1=2, delta_1=180.000000; torsion: particle_type1=H, particle_type2=OH1, particle_type3=CT2, particle_type4=CT3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=3, k_1=1.300000, n_1=1, delta_1=0.000000, k_2=0.300000, n_2=2, delta_2=0.000000, k_3=0.420000, n_3=3, delta_3=0.000000; torsion: particle_type1=H, particle_type2=OH1, particle_type3=CT2, particle_type4=CT1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=3, k_1=1.300000, n_1=1, delta_1=0.000000, k_2=0.300000, n_2=2, delta_2=0.000000, k_3=0.420000, n_3=3, delta_3=0.000000; torsion: particle_type1=H, particle_type2=OH1, particle_type3=CT2, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=3, k_1=1.300000, n_1=1, delta_1=0.000000, k_2=0.300000, n_2=2, delta_2=0.000000, k_3=0.420000, n_3=3, delta_3=0.000000; torsion: particle_type1=H, particle_type2=NY, particle_type3=CPT, particle_type4=CPT, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.800000, n_1=2, delta_1=180.000000; torsion: particle_type1=H, particle_type2=NY, particle_type3=CPT, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.800000, n_1=2, delta_1=180.000000; torsion: particle_type1=H, particle_type2=NY, particle_type3=CA, particle_type4=CY, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.800000, n_1=2, delta_1=180.000000; torsion: particle_type1=H, particle_type2=NH2, particle_type3=CC, particle_type4=CP1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=H, particle_type2=NH2, particle_type3=CC, particle_type4=CT3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.400000, n_1=2, delta_1=180.000000; torsion: particle_type1=H, particle_type2=NH2, particle_type3=CC, particle_type4=CT1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.400000, n_1=2, delta_1=180.000000; torsion: particle_type1=H, particle_type2=NH2, particle_type3=CC, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.400000, n_1=2, delta_1=180.000000; torsion: particle_type1=H, particle_type2=NH1, particle_type3=CT1, particle_type4=CD, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=H, particle_type2=NH1, particle_type3=CT1, particle_type4=CC, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=H, particle_type2=NH1, particle_type3=CT1, particle_type4=CT3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=H, particle_type2=NH1, particle_type3=CT1, particle_type4=CT1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=H, particle_type2=NH1, particle_type3=CT1, particle_type4=C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=H, particle_type2=NH1, particle_type3=CT1, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=H, particle_type2=NH1, particle_type3=C, particle_type4=CP1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=H, particle_type2=NH1, particle_type3=C, particle_type4=CT3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=H, particle_type2=NH1, particle_type3=C, particle_type4=CT1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=H, particle_type2=NH1, particle_type3=C, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=H, particle_type2=NH1, particle_type3=CT2, particle_type4=CD, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=H, particle_type2=NH1, particle_type3=CT2, particle_type4=CC, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=H, particle_type2=NH1, particle_type3=CT2, particle_type4=CT3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=H, particle_type2=NH1, particle_type3=CT2, particle_type4=C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=H, particle_type2=NH1, particle_type3=CT2, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=H, particle_type2=NR3, particle_type3=CPH1, particle_type4=CPH1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.400000, n_1=2, delta_1=180.000000; torsion: particle_type1=H, particle_type2=NR3, particle_type3=CPH1, particle_type4=CT3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=H, particle_type2=NR3, particle_type3=CPH1, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CP3, particle_type2=N, particle_type3=CP1, particle_type4=CC, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.100000, n_1=3, delta_1=0.000000; torsion: particle_type1=CP3, particle_type2=N, particle_type3=CP1, particle_type4=CP2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.100000, n_1=3, delta_1=0.000000; torsion: particle_type1=CP3, particle_type2=N, particle_type3=CP1, particle_type4=C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.100000, n_1=3, delta_1=0.000000; torsion: particle_type1=CP3, particle_type2=N, particle_type3=C, particle_type4=CP1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=2.750000, n_1=2, delta_1=180.000000, k_2=0.300000, n_2=4, delta_2=0.000000; torsion: particle_type1=CP3, particle_type2=NP, particle_type3=CP1, particle_type4=CD, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.080000, n_1=3, delta_1=0.000000; torsion: particle_type1=CP3, particle_type2=NP, particle_type3=CP1, particle_type4=CC, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.080000, n_1=3, delta_1=0.000000; torsion: particle_type1=CP3, particle_type2=NP, particle_type3=CP1, particle_type4=CP2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.080000, n_1=3, delta_1=0.000000; torsion: particle_type1=CP3, particle_type2=NP, particle_type3=CP1, particle_type4=C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.080000, n_1=3, delta_1=0.000000; torsion: particle_type1=CPT, particle_type2=CPT, particle_type3=CY, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=4.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CPT, particle_type2=CPT, particle_type3=NY, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=5.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CPT, particle_type2=CPT, particle_type3=CA, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.100000, n_1=2, delta_1=180.000000; torsion: particle_type1=CPT, particle_type2=CA, particle_type3=CA, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.100000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN7, particle_type2=CN7C, particle_type3=ON5, particle_type4=HN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7, particle_type2=CN7C, particle_type3=CN7B, particle_type4=NN2B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7, particle_type2=CN7C, particle_type3=CN7B, particle_type4=ON6, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.600000, n_1=6, delta_1=0.000000; torsion: particle_type1=CN7, particle_type2=CN7C, particle_type3=CN7B, particle_type4=NN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7, particle_type2=CN8, particle_type3=CN7B, particle_type4=NN2B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7, particle_type2=CN8, particle_type3=CN7B, particle_type4=ON6, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.600000, n_1=6, delta_1=0.000000; torsion: particle_type1=CN7, particle_type2=CN8, particle_type3=CN7B, particle_type4=NN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7, particle_type2=CN7B, particle_type3=CN7B, particle_type4=NR1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7, particle_type2=CN7B, particle_type3=CN7B, particle_type4=ON6B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.400000, n_1=6, delta_1=0.000000; torsion: particle_type1=CN7, particle_type2=CN7B, particle_type3=CN7B, particle_type4=NN2B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7, particle_type2=CN7B, particle_type3=CN7B, particle_type4=NN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7, particle_type2=CN7B, particle_type3=ON6, particle_type4=CN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.600000, n_1=6, delta_1=180.000000; torsion: particle_type1=CN7, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN3C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=180.000000; torsion: particle_type1=CN7, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.300000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN3B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7, particle_type2=CN7B, particle_type3=ON2, particle_type4=P, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.500000, n_1=1, delta_1=180.000000; torsion: particle_type1=CN7, particle_type2=ON6B, particle_type3=CN7B, particle_type4=NR1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7, particle_type2=ON6B, particle_type3=CN7B, particle_type4=NN2B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7, particle_type2=ON6B, particle_type3=CN7B, particle_type4=NN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7, particle_type2=CN8B, particle_type3=ON5, particle_type4=HN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=3, k_1=1.330000, n_1=1, delta_1=0.000000, k_2=0.180000, n_2=2, delta_2=0.000000, k_3=0.320000, n_3=3, delta_3=0.000000; torsion: particle_type1=CN7, particle_type2=CN8B, particle_type3=ON2, particle_type4=P, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.200000, n_1=1, delta_1=120.000000; torsion: particle_type1=CN7, particle_type2=ON6, particle_type3=CN7B, particle_type4=NR1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7, particle_type2=ON6, particle_type3=CN7B, particle_type4=NN2B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7, particle_type2=ON6, particle_type3=CN7B, particle_type4=NN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7, particle_type2=CN7, particle_type3=CN7C, particle_type4=ON5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7, particle_type2=CN7, particle_type3=ON5, particle_type4=HN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=3, k_1=0.500000, n_1=3, delta_1=0.000000, k_2=0.300000, n_2=2, delta_2=180.000000, k_3=1.500000, n_3=1, delta_3=0.000000; torsion: particle_type1=CN7, particle_type2=CN7, particle_type3=CN7B, particle_type4=ON5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7, particle_type2=CN7, particle_type3=CN7B, particle_type4=ON6, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.600000, n_1=6, delta_1=0.000000; torsion: particle_type1=CN7, particle_type2=CN7, particle_type3=CN7B, particle_type4=NN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN7, particle_type2=CN7, particle_type3=ON6B, particle_type4=CN7B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=6, delta_1=180.000000; torsion: particle_type1=CN7, particle_type2=CN7, particle_type3=CN8B, particle_type4=ON5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=4, k_1=0.200000, n_1=4, delta_1=180.000000, k_2=0.800000, n_2=3, delta_2=180.000000, k_3=0.400000, n_3=2, delta_3=0.000000, k_4=2.500000, n_4=1, delta_4=180.000000; torsion: particle_type1=CN7, particle_type2=CN7, particle_type3=CN8B, particle_type4=ON2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=4, k_1=0.200000, n_1=4, delta_1=180.000000, k_2=0.800000, n_2=3, delta_2=180.000000, k_3=0.400000, n_3=2, delta_3=0.000000, k_4=2.500000, n_4=1, delta_4=180.000000; torsion: particle_type1=CN7, particle_type2=CN7, particle_type3=ON6, particle_type4=CN7B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.600000, n_1=6, delta_1=180.000000; torsion: particle_type1=CN7, particle_type2=CN7, particle_type3=ON2, particle_type4=P, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=5, k_1=0.600000, n_1=5, delta_1=0.000000, k_2=0.200000, n_2=4, delta_2=0.000000, k_3=0.000000, n_3=3, delta_3=180.000000, k_4=0.400000, n_4=2, delta_4=0.000000, k_5=1.900000, n_5=1, delta_5=180.000000; torsion: particle_type1=CN7, particle_type2=CN7, particle_type3=CN7, particle_type4=CN8B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.500000, n_1=4, delta_1=180.000000; torsion: particle_type1=CN7, particle_type2=CN7, particle_type3=CN7, particle_type4=ON6, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.600000, n_1=6, delta_1=0.000000; torsion: particle_type1=CY, particle_type2=CPT, particle_type3=CPT, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=10.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CY, particle_type2=CPT, particle_type3=CA, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CY, particle_type2=CA, particle_type3=NY, particle_type4=CPT, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=5.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=OC, particle_type2=CC, particle_type3=CP1, particle_type4=CP2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.160000, n_1=3, delta_1=0.000000; torsion: particle_type1=OC, particle_type2=CC, particle_type3=CP1, particle_type4=N, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.160000, n_1=3, delta_1=0.000000; torsion: particle_type1=OC, particle_type2=CC, particle_type3=CP1, particle_type4=HB, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.160000, n_1=3, delta_1=0.000000; torsion: particle_type1=OC, particle_type2=CC, particle_type3=CP1, particle_type4=NP, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.160000, n_1=3, delta_1=0.000000; torsion: particle_type1=OC, particle_type2=CC, particle_type3=CT1, particle_type4=NH3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.200000, n_1=2, delta_1=180.000000; torsion: particle_type1=OC, particle_type2=CC, particle_type3=CT2, particle_type4=NH3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.200000, n_1=2, delta_1=180.000000; torsion: particle_type1=OC, particle_type2=CA, particle_type3=CA, particle_type4=HP, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=4.200000, n_1=2, delta_1=180.000000; torsion: particle_type1=OC, particle_type2=CA, particle_type3=CA, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.100000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN3C, particle_type2=NN2, particle_type3=CN3C, particle_type4=CN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.100000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN3C, particle_type2=CN3, particle_type3=CN8, particle_type4=CN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=4.000000, n_1=3, delta_1=180.000000; torsion: particle_type1=CN3C, particle_type2=CN3, particle_type3=CN1A, particle_type4=ON1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.300000, n_1=1, delta_1=0.000000, k_2=1.950000, n_2=2, delta_2=180.000000; torsion: particle_type1=CN3C, particle_type2=CN3, particle_type3=CN1A, particle_type4=NN1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=1.100000, n_1=1, delta_1=180.000000, k_2=1.950000, n_2=2, delta_2=180.000000; torsion: particle_type1=CN3B, particle_type2=NN2, particle_type3=CN3B, particle_type4=CN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=4.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN3B, particle_type2=CN3, particle_type3=CN1A, particle_type4=ON1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.380000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN3B, particle_type2=CN3, particle_type3=CN1A, particle_type4=NN1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.350000, n_1=1, delta_1=0.000000, k_2=0.620000, n_2=2, delta_2=0.000000; torsion: particle_type1=HN5, particle_type2=ON5, particle_type3=CN7B, particle_type4=CN7B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=4, k_1=0.000000, n_1=6, delta_1=180.000000, k_2=0.800000, n_2=3, delta_2=0.000000, k_3=0.000000, n_3=2, delta_3=180.000000, k_4=0.000000, n_4=1, delta_4=180.000000; torsion: particle_type1=HN5, particle_type2=ON5, particle_type3=CN7B, particle_type4=CN7, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.300000, n_1=3, delta_1=0.000000, k_2=0.000000, n_2=1, delta_2=0.000000; torsion: particle_type1=CN1, particle_type2=CN3T, particle_type3=CN9, particle_type4=HN9, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.460000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN1, particle_type2=CN3T, particle_type3=CN3, particle_type4=NN2B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN1, particle_type2=NN2G, particle_type3=CN2, particle_type4=NN3G, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.200000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN1, particle_type2=NN2B, particle_type3=CN9, particle_type4=HN9, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.190000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN1, particle_type2=CN5G, particle_type3=CN5, particle_type4=NN2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=10.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN1, particle_type2=CN5G, particle_type3=NN4, particle_type4=CN4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN1, particle_type2=NN3, particle_type3=CN2, particle_type4=CN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=6.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN1, particle_type2=NN2, particle_type3=CN9, particle_type4=HN9, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.190000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN1, particle_type2=NN2, particle_type3=CN3, particle_type4=HN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=4.600000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN1, particle_type2=CN3, particle_type3=CN3, particle_type4=NN2B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=6.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=ON6, particle_type2=CN7B, particle_type3=CN7C, particle_type4=ON5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=ON6, particle_type2=CN7B, particle_type3=NR1, particle_type4=CPH1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=3, k_1=0.200000, n_1=3, delta_1=0.000000, k_2=0.500000, n_2=2, delta_2=-70.000000, k_3=0.600000, n_3=1, delta_3=180.000000; torsion: particle_type1=ON6, particle_type2=CN7B, particle_type3=NR1, particle_type4=CPH2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.300000, n_1=1, delta_1=0.000000; torsion: particle_type1=ON6, particle_type2=CN7B, particle_type3=NN2B, particle_type4=CN4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.400000, n_1=1, delta_1=0.000000; torsion: particle_type1=ON6, particle_type2=CN7B, particle_type3=NN2B, particle_type4=CN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.200000, n_1=3, delta_1=0.000000, k_2=1.100000, n_2=1, delta_2=180.000000; torsion: particle_type1=ON6, particle_type2=CN7B, particle_type3=NN2B, particle_type4=CN1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=ON6, particle_type2=CN7B, particle_type3=NN2B, particle_type4=CN1T, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.700000, n_1=3, delta_1=0.000000, k_2=0.800000, n_2=1, delta_2=180.000000; torsion: particle_type1=ON6, particle_type2=CN7B, particle_type3=NN2B, particle_type4=CN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.900000, n_1=1, delta_1=0.000000; torsion: particle_type1=ON6, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN3C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=ON6, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN4, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.100000, n_1=1, delta_1=0.000000; torsion: particle_type1=ON6, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.100000, n_1=1, delta_1=180.000000; torsion: particle_type1=ON6, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN3B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=ON6, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=0.000000; torsion: particle_type1=ON6, particle_type2=CN7B, particle_type3=NN2, particle_type4=CN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=ON6, particle_type2=CN7B, particle_type3=CN7, particle_type4=ON5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.400000, n_1=1, delta_1=180.000000; torsion: particle_type1=ON6, particle_type2=CN7, particle_type3=CN8B, particle_type4=ON5, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.400000, n_1=1, delta_1=180.000000; torsion: particle_type1=ON6, particle_type2=CN7, particle_type3=CN8B, particle_type4=ON2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.400000, n_1=1, delta_1=180.000000; torsion: particle_type1=CN1T, particle_type2=NN2U, particle_type3=CN1, particle_type4=CN3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=CN1T, particle_type2=NN2B, particle_type3=CN9, particle_type4=HN9, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.190000, n_1=3, delta_1=0.000000; torsion: particle_type1=CN1T, particle_type2=NN2B, particle_type3=CN3, particle_type4=CN3T, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.800000, n_1=2, delta_1=180.000000; torsion: particle_type1=HN3B, particle_type2=CN3, particle_type3=CN3B, particle_type4=HN3B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HN3B, particle_type2=CN3, particle_type3=CN3A, particle_type4=HN3B, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=O, particle_type2=CC, particle_type3=CP1, particle_type4=CP2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.400000, n_1=1, delta_1=180.000000, k_2=0.600000, n_2=2, delta_2=0.000000; torsion: particle_type1=O, particle_type2=CC, particle_type3=CP1, particle_type4=N, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=-0.300000, n_1=4, delta_1=0.000000; torsion: particle_type1=O, particle_type2=CC, particle_type3=CP1, particle_type4=HB, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.400000, n_1=1, delta_1=0.000000, k_2=0.600000, n_2=2, delta_2=0.000000; torsion: particle_type1=O, particle_type2=CC, particle_type3=NH2, particle_type4=H, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.400000, n_1=2, delta_1=180.000000; torsion: particle_type1=O, particle_type2=CC, particle_type3=CT2, particle_type4=HA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=180.000000; torsion: particle_type1=O, particle_type2=C, particle_type3=CP1, particle_type4=CP2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.400000, n_1=1, delta_1=180.000000, k_2=0.600000, n_2=2, delta_2=0.000000; torsion: particle_type1=O, particle_type2=C, particle_type3=CP1, particle_type4=N, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=-0.300000, n_1=4, delta_1=0.000000; torsion: particle_type1=O, particle_type2=C, particle_type3=CP1, particle_type4=HB, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.400000, n_1=1, delta_1=0.000000, k_2=0.600000, n_2=2, delta_2=0.000000; torsion: particle_type1=O, particle_type2=C, particle_type3=CT3, particle_type4=HA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=180.000000; torsion: particle_type1=O, particle_type2=C, particle_type3=N, particle_type4=CP1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=2.750000, n_1=2, delta_1=180.000000, k_2=0.300000, n_2=4, delta_2=0.000000; torsion: particle_type1=O, particle_type2=C, particle_type3=N, particle_type4=CP3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=2.750000, n_1=2, delta_1=180.000000, k_2=0.300000, n_2=4, delta_2=0.000000; torsion: particle_type1=O, particle_type2=C, particle_type3=CT1, particle_type4=CT3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.400000, n_1=1, delta_1=0.000000; torsion: particle_type1=O, particle_type2=C, particle_type3=CT1, particle_type4=HB, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=O, particle_type2=C, particle_type3=CT1, particle_type4=CT1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.400000, n_1=1, delta_1=0.000000; torsion: particle_type1=O, particle_type2=C, particle_type3=CT1, particle_type4=NH3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=O, particle_type2=C, particle_type3=CT1, particle_type4=NH1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=O, particle_type2=C, particle_type3=CT1, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.400000, n_1=1, delta_1=0.000000; torsion: particle_type1=O, particle_type2=C, particle_type3=NH1, particle_type4=H, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=O, particle_type2=C, particle_type3=NH1, particle_type4=CT3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=O, particle_type2=C, particle_type3=NH1, particle_type4=CT1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=O, particle_type2=C, particle_type3=NH1, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=O, particle_type2=C, particle_type3=CT2, particle_type4=HB, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=O, particle_type2=C, particle_type3=CT2, particle_type4=NH3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=O, particle_type2=C, particle_type3=CT2, particle_type4=HA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=3, delta_1=180.000000; torsion: particle_type1=O, particle_type2=C, particle_type3=CT2, particle_type4=NH1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.000000, n_1=1, delta_1=0.000000; torsion: particle_type1=O, particle_type2=C, particle_type3=CT2, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.400000, n_1=1, delta_1=0.000000; torsion: particle_type1=CT3, particle_type2=S, particle_type3=CT2, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.240000, n_1=1, delta_1=180.000000, k_2=0.370000, n_2=3, delta_2=0.000000; torsion: particle_type1=CT3, particle_type2=CPH1, particle_type3=NR1, particle_type4=CPH2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CT3, particle_type2=CT1, particle_type3=NH1, particle_type4=C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.800000, n_1=1, delta_1=0.000000; torsion: particle_type1=CT3, particle_type2=CT2, particle_type3=S, particle_type4=CT3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=0.240000, n_1=1, delta_1=180.000000, k_2=0.370000, n_2=3, delta_2=0.000000; torsion: particle_type1=CT3, particle_type2=CT2, particle_type3=CY, particle_type4=CPT, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.230000, n_1=2, delta_1=180.000000; torsion: particle_type1=CT3, particle_type2=CT2, particle_type3=CY, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.230000, n_1=2, delta_1=180.000000; torsion: particle_type1=CT3, particle_type2=CT2, particle_type3=CPH1, particle_type4=CPH1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=3, k_1=0.200000, n_1=1, delta_1=0.000000, k_2=0.270000, n_2=2, delta_2=0.000000, k_3=0.000000, n_3=3, delta_3=0.000000; torsion: particle_type1=CT3, particle_type2=CT2, particle_type3=CA, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.230000, n_1=2, delta_1=180.000000; torsion: particle_type1=CT3, particle_type2=CT2, particle_type3=CT2, particle_type4=CT3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.150000, n_1=1, delta_1=0.000000; torsion: particle_type1=CT3, particle_type2=CT2, particle_type3=CT2, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.150000, n_1=1, delta_1=0.000000; torsion: particle_type1=CT3, particle_type2=C, particle_type3=N, particle_type4=CP1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=2.750000, n_1=2, delta_1=180.000000, k_2=0.300000, n_2=4, delta_2=0.000000; torsion: particle_type1=CT3, particle_type2=C, particle_type3=N, particle_type4=CP3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=2.750000, n_1=2, delta_1=180.000000, k_2=0.300000, n_2=4, delta_2=0.000000; torsion: particle_type1=CT3, particle_type2=C, particle_type3=NH1, particle_type4=CT3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=1.600000, n_1=1, delta_1=0.000000, k_2=2.500000, n_2=2, delta_2=180.000000; torsion: particle_type1=CT3, particle_type2=C, particle_type3=NH1, particle_type4=CT1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=1.600000, n_1=1, delta_1=0.000000, k_2=2.500000, n_2=2, delta_2=180.000000; torsion: particle_type1=CT3, particle_type2=C, particle_type3=NH1, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=1.600000, n_1=1, delta_1=0.000000, k_2=2.500000, n_2=2, delta_2=180.000000; torsion: particle_type1=CT3, particle_type2=CE1, particle_type3=CE2, particle_type4=HE2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=5.200000, n_1=2, delta_1=180.000000; torsion: particle_type1=CT3, particle_type2=SM, particle_type3=SM, particle_type4=CT3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=3, k_1=1.000000, n_1=1, delta_1=0.000000, k_2=4.100000, n_2=2, delta_2=0.000000, k_3=0.900000, n_3=3, delta_3=0.000000; torsion: particle_type1=CT3, particle_type2=CA, particle_type3=CA, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.100000, n_1=2, delta_1=180.000000; torsion: particle_type1=CT3, particle_type2=NH1, particle_type3=C, particle_type4=CP1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=1.600000, n_1=1, delta_1=0.000000, k_2=2.500000, n_2=2, delta_2=180.000000; torsion: particle_type1=CT3, particle_type2=NH1, particle_type3=C, particle_type4=CT1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=1.600000, n_1=1, delta_1=0.000000, k_2=2.500000, n_2=2, delta_2=180.000000; torsion: particle_type1=CT1, particle_type2=CT1, particle_type3=NH1, particle_type4=C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.800000, n_1=1, delta_1=0.000000; torsion: particle_type1=CT1, particle_type2=C, particle_type3=N, particle_type4=CP1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=2.750000, n_1=2, delta_1=180.000000, k_2=0.300000, n_2=4, delta_2=0.000000; torsion: particle_type1=CT1, particle_type2=C, particle_type3=N, particle_type4=CP3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=2.750000, n_1=2, delta_1=180.000000, k_2=0.300000, n_2=4, delta_2=0.000000; torsion: particle_type1=CT1, particle_type2=C, particle_type3=NH1, particle_type4=CT1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=1.600000, n_1=1, delta_1=0.000000, k_2=2.500000, n_2=2, delta_2=180.000000; torsion: particle_type1=CT1, particle_type2=NH1, particle_type3=C, particle_type4=CP1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=1.600000, n_1=1, delta_1=0.000000, k_2=2.500000, n_2=2, delta_2=180.000000; torsion: particle_type1=CT1, particle_type2=CT2, particle_type3=CY, particle_type4=CPT, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.230000, n_1=2, delta_1=180.000000; torsion: particle_type1=CT1, particle_type2=CT2, particle_type3=CY, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.230000, n_1=2, delta_1=180.000000; torsion: particle_type1=CT1, particle_type2=CT2, particle_type3=CPH1, particle_type4=CPH1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=3, k_1=0.200000, n_1=1, delta_1=0.000000, k_2=0.270000, n_2=2, delta_2=0.000000, k_3=0.000000, n_3=3, delta_3=0.000000; torsion: particle_type1=CT1, particle_type2=CT2, particle_type3=CA, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.230000, n_1=2, delta_1=180.000000; torsion: particle_type1=CT2, particle_type2=CY, particle_type3=CPT, particle_type4=CPT, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CT2, particle_type2=CY, particle_type3=CPT, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CT2, particle_type2=CPH1, particle_type3=NR1, particle_type4=CPH2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CT2, particle_type2=CPH1, particle_type3=NR2, particle_type4=CPH2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=CT2, particle_type2=CPH1, particle_type3=NR3, particle_type4=CPH2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.500000, n_1=2, delta_1=180.000000; torsion: particle_type1=CT2, particle_type2=CT1, particle_type3=NH1, particle_type4=C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.800000, n_1=1, delta_1=0.000000; torsion: particle_type1=CT2, particle_type2=CT2, particle_type3=CPH1, particle_type4=CPH1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.400000, n_1=1, delta_1=0.000000; torsion: particle_type1=CT2, particle_type2=CT2, particle_type3=NH1, particle_type4=C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.800000, n_1=1, delta_1=0.000000; torsion: particle_type1=CT2, particle_type2=CT2, particle_type3=CT2, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.150000, n_1=1, delta_1=0.000000; torsion: particle_type1=CT2, particle_type2=C, particle_type3=N, particle_type4=CP1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=2.750000, n_1=2, delta_1=180.000000, k_2=0.300000, n_2=4, delta_2=0.000000; torsion: particle_type1=CT2, particle_type2=C, particle_type3=N, particle_type4=CP3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=2.750000, n_1=2, delta_1=180.000000, k_2=0.300000, n_2=4, delta_2=0.000000; torsion: particle_type1=CT2, particle_type2=C, particle_type3=NH1, particle_type4=CT3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=1.600000, n_1=1, delta_1=0.000000, k_2=2.500000, n_2=2, delta_2=180.000000; torsion: particle_type1=CT2, particle_type2=C, particle_type3=NH1, particle_type4=CT1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=1.600000, n_1=1, delta_1=0.000000, k_2=2.500000, n_2=2, delta_2=180.000000; torsion: particle_type1=CT2, particle_type2=C, particle_type3=NH1, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=1.600000, n_1=1, delta_1=0.000000, k_2=2.500000, n_2=2, delta_2=180.000000; torsion: particle_type1=CT2, particle_type2=SM, particle_type3=SM, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=3, k_1=1.000000, n_1=1, delta_1=0.000000, k_2=4.100000, n_2=2, delta_2=0.000000, k_3=0.900000, n_3=3, delta_3=0.000000; torsion: particle_type1=CT2, particle_type2=CA, particle_type3=CA, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.100000, n_1=2, delta_1=180.000000; torsion: particle_type1=CT2, particle_type2=NH1, particle_type3=C, particle_type4=CP1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=1.600000, n_1=1, delta_1=0.000000, k_2=2.500000, n_2=2, delta_2=180.000000; torsion: particle_type1=CT2, particle_type2=NH1, particle_type3=C, particle_type4=CT1, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=2, k_1=1.600000, n_1=1, delta_1=0.000000, k_2=2.500000, n_2=2, delta_2=180.000000; torsion: particle_type1=HC, particle_type2=NP, particle_type3=CP1, particle_type4=CD, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.080000, n_1=3, delta_1=0.000000; torsion: particle_type1=HC, particle_type2=NP, particle_type3=CP1, particle_type4=CC, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.080000, n_1=3, delta_1=0.000000; torsion: particle_type1=HC, particle_type2=NP, particle_type3=CP1, particle_type4=CP2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.080000, n_1=3, delta_1=0.000000; torsion: particle_type1=HC, particle_type2=NP, particle_type3=CP1, particle_type4=HB, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.080000, n_1=3, delta_1=0.000000; torsion: particle_type1=HC, particle_type2=NP, particle_type3=CP1, particle_type4=C, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.080000, n_1=3, delta_1=0.000000; torsion: particle_type1=HC, particle_type2=NP, particle_type3=CP3, particle_type4=CP2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.080000, n_1=3, delta_1=0.000000; torsion: particle_type1=HC, particle_type2=NP, particle_type3=CP3, particle_type4=HA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.080000, n_1=3, delta_1=0.000000; torsion: particle_type1=HC, particle_type2=NH2, particle_type3=CT2, particle_type4=CD, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.110000, n_1=3, delta_1=0.000000; torsion: particle_type1=HC, particle_type2=NH2, particle_type3=CT2, particle_type4=HB, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.110000, n_1=3, delta_1=0.000000; torsion: particle_type1=HP, particle_type2=CY, particle_type3=CPT, particle_type4=CPT, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.800000, n_1=2, delta_1=180.000000; torsion: particle_type1=HP, particle_type2=CY, particle_type3=CPT, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.800000, n_1=2, delta_1=180.000000; torsion: particle_type1=HP, particle_type2=CY, particle_type3=CA, particle_type4=HP, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HP, particle_type2=CA, particle_type3=CY, particle_type4=CPT, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HP, particle_type2=CA, particle_type3=CY, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=1.200000, n_1=2, delta_1=180.000000; torsion: particle_type1=HP, particle_type2=CA, particle_type3=CPT, particle_type4=CY, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HP, particle_type2=CA, particle_type3=CPT, particle_type4=CPT, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HP, particle_type2=CA, particle_type3=NY, particle_type4=H, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=0.400000, n_1=2, delta_1=180.000000; torsion: particle_type1=HP, particle_type2=CA, particle_type3=NY, particle_type4=CPT, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HP, particle_type2=CA, particle_type3=CA, particle_type4=ON2b, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=4.200000, n_1=2, delta_1=180.000000; torsion: particle_type1=HP, particle_type2=CA, particle_type3=CA, particle_type4=CT3, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=4.200000, n_1=2, delta_1=180.000000; torsion: particle_type1=HP, particle_type2=CA, particle_type3=CA, particle_type4=CPT, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=3.000000, n_1=2, delta_1=180.000000; torsion: particle_type1=HP, particle_type2=CA, particle_type3=CA, particle_type4=HP, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=2.400000, n_1=2, delta_1=180.000000; torsion: particle_type1=HP, particle_type2=CA, particle_type3=CA, particle_type4=CA, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=4.200000, n_1=2, delta_1=180.000000; torsion: particle_type1=HP, particle_type2=CA, particle_type3=CA, particle_type4=CT2, torsion_type=cosine, k=0.000000, a0=0.000000, a1=0.000000, a2=0.000000, a3=0.000000, a4=0.000000, a5=0.000000, mult=1, k_1=4.200000, n_1=2, delta_1=180.000000; }; impropers { improper: particle_type1=HN2, particle_type2=X, particle_type3=X, particle_type4=NN2, improper_type=harmonic, k_psi=1.000000, psi_0=0.000000; improper: particle_type1=HN2, particle_type2=CN3, particle_type3=CN3B, particle_type4=NN2, improper_type=harmonic, k_psi=50.000000, psi_0=0.000000; improper: particle_type1=CC, particle_type2=X, particle_type3=X, particle_type4=CT3, improper_type=harmonic, k_psi=96.000000, psi_0=0.000000; improper: particle_type1=CC, particle_type2=X, particle_type3=X, particle_type4=CT1, improper_type=harmonic, k_psi=96.000000, psi_0=0.000000; improper: particle_type1=CC, particle_type2=X, particle_type3=X, particle_type4=CT2, improper_type=harmonic, k_psi=96.000000, psi_0=0.000000; improper: particle_type1=HN1, particle_type2=HN1, particle_type3=CN1A, particle_type4=NN1, improper_type=harmonic, k_psi=-5.000000, psi_0=0.000000; improper: particle_type1=HN1, particle_type2=X, particle_type3=X, particle_type4=NN1, improper_type=harmonic, k_psi=4.000000, psi_0=0.000000; improper: particle_type1=N, particle_type2=C, particle_type3=CP1, particle_type4=CP3, improper_type=harmonic, k_psi=0.000000, psi_0=0.000000; improper: particle_type1=NY, particle_type2=CA, particle_type3=CY, particle_type4=CPT, improper_type=harmonic, k_psi=100.000000, psi_0=0.000000; improper: particle_type1=CN3, particle_type2=CN3C, particle_type3=CN8, particle_type4=HN6, improper_type=harmonic, k_psi=15.000000, psi_0=0.000000; improper: particle_type1=OB, particle_type2=X, particle_type3=X, particle_type4=CD, improper_type=harmonic, k_psi=100.000000, psi_0=0.000000; improper: particle_type1=CN2, particle_type2=NN3A, particle_type3=CN5, particle_type4=NN1, improper_type=harmonic, k_psi=40.000000, psi_0=0.000000; improper: particle_type1=CN2, particle_type2=X, particle_type3=X, particle_type4=NN1, improper_type=harmonic, k_psi=90.000000, psi_0=0.000000; improper: particle_type1=CN2, particle_type2=NN3, particle_type3=CN3, particle_type4=NN1, improper_type=harmonic, k_psi=60.000000, psi_0=0.000000; improper: particle_type1=CN2, particle_type2=NN3G, particle_type3=NN2G, particle_type4=NN1, improper_type=harmonic, k_psi=40.000000, psi_0=0.000000; improper: particle_type1=CPB, particle_type2=CPA, particle_type3=NPH, particle_type4=CPA, improper_type=harmonic, k_psi=20.800000, psi_0=0.000000; improper: particle_type1=CPB, particle_type2=X, particle_type3=X, particle_type4=C, improper_type=harmonic, k_psi=90.000000, psi_0=0.000000; improper: particle_type1=HR1, particle_type2=NR1, particle_type3=NR2, particle_type4=CPH2, improper_type=harmonic, k_psi=0.500000, psi_0=0.000000; improper: particle_type1=HR1, particle_type2=NR2, particle_type3=NR1, particle_type4=CPH2, improper_type=harmonic, k_psi=0.500000, psi_0=0.000000; improper: particle_type1=NH2, particle_type2=X, particle_type3=X, particle_type4=H, improper_type=harmonic, k_psi=4.000000, psi_0=0.000000; improper: particle_type1=NH1, particle_type2=X, particle_type3=X, particle_type4=H, improper_type=harmonic, k_psi=20.000000, psi_0=0.000000; improper: particle_type1=HN6, particle_type2=X, particle_type3=X, particle_type4=CN3C, improper_type=harmonic, k_psi=53.000000, psi_0=0.000000; improper: particle_type1=NR1, particle_type2=CPH1, particle_type3=CPH2, particle_type4=H, improper_type=harmonic, k_psi=0.450000, psi_0=0.000000; improper: particle_type1=NR1, particle_type2=CPH2, particle_type3=CPH1, particle_type4=H, improper_type=harmonic, k_psi=0.450000, psi_0=0.000000; improper: particle_type1=NN2B, particle_type2=CN4, particle_type3=CN5, particle_type4=HN2, improper_type=harmonic, k_psi=7.000000, psi_0=0.000000; improper: particle_type1=HA, particle_type2=CPA, particle_type3=CPA, particle_type4=CPM, improper_type=harmonic, k_psi=29.400000, psi_0=0.000000; improper: particle_type1=HA, particle_type2=C, particle_type3=C, particle_type4=HA, improper_type=harmonic, k_psi=20.000000, psi_0=0.000000; improper: particle_type1=HA, particle_type2=HA, particle_type3=C, particle_type4=C, improper_type=harmonic, k_psi=20.000000, psi_0=180.000000; improper: particle_type1=HA, particle_type2=CPB, particle_type3=C, particle_type4=C, improper_type=harmonic, k_psi=20.000000, psi_0=0.000000; improper: particle_type1=HN8, particle_type2=CN3, particle_type3=CN3, particle_type4=CN8, improper_type=harmonic, k_psi=18.000000, psi_0=0.000000; improper: particle_type1=NPH, particle_type2=CPA, particle_type3=CPA, particle_type4=FE, improper_type=harmonic, k_psi=137.400000, psi_0=0.000000; improper: particle_type1=NPH, particle_type2=CPA, particle_type3=CPB, particle_type4=CPB, improper_type=harmonic, k_psi=40.600000, psi_0=0.000000; improper: particle_type1=NPH, particle_type2=CPA, particle_type3=CPM, particle_type4=CPA, improper_type=harmonic, k_psi=18.300000, psi_0=0.000000; improper: particle_type1=NPH, particle_type2=CPM, particle_type3=CPB, particle_type4=CPA, improper_type=harmonic, k_psi=32.700000, psi_0=0.000000; improper: particle_type1=OC, particle_type2=X, particle_type3=X, particle_type4=CC, improper_type=harmonic, k_psi=96.000000, psi_0=0.000000; improper: particle_type1=CN9, particle_type2=X, particle_type3=X, particle_type4=CN3T, improper_type=harmonic, k_psi=14.000000, psi_0=0.000000; improper: particle_type1=HR3, particle_type2=NR1, particle_type3=CPH1, particle_type4=CPH1, improper_type=harmonic, k_psi=0.500000, psi_0=0.000000; improper: particle_type1=HR3, particle_type2=CPH1, particle_type3=NR1, particle_type4=CPH1, improper_type=harmonic, k_psi=0.500000, psi_0=0.000000; improper: particle_type1=HR3, particle_type2=CPH1, particle_type3=NR2, particle_type4=CPH1, improper_type=harmonic, k_psi=0.500000, psi_0=0.000000; improper: particle_type1=HR3, particle_type2=CPH1, particle_type3=NR3, particle_type4=CPH1, improper_type=harmonic, k_psi=1.000000, psi_0=0.000000; improper: particle_type1=HR3, particle_type2=NR2, particle_type3=CPH1, particle_type4=CPH1, improper_type=harmonic, k_psi=0.500000, psi_0=0.000000; improper: particle_type1=ON1, particle_type2=X, particle_type3=X, particle_type4=CN1A, improper_type=harmonic, k_psi=40.000000, psi_0=0.000000; improper: particle_type1=CN1, particle_type2=NN2U, particle_type3=CN3T, particle_type4=ON1, improper_type=harmonic, k_psi=90.000000, psi_0=0.000000; improper: particle_type1=CN1, particle_type2=NN2G, particle_type3=CN5G, particle_type4=ON1, improper_type=harmonic, k_psi=90.000000, psi_0=0.000000; improper: particle_type1=CN1, particle_type2=X, particle_type3=X, particle_type4=ON1, improper_type=harmonic, k_psi=90.000000, psi_0=0.000000; improper: particle_type1=CN1, particle_type2=X, particle_type3=X, particle_type4=ON1C, improper_type=harmonic, k_psi=80.000000, psi_0=0.000000; improper: particle_type1=CN1T, particle_type2=NN2B, particle_type3=NN2U, particle_type4=ON1, improper_type=harmonic, k_psi=110.000000, psi_0=0.000000; improper: particle_type1=CN1T, particle_type2=X, particle_type3=X, particle_type4=ON1, improper_type=harmonic, k_psi=90.000000, psi_0=0.000000; improper: particle_type1=HN3B, particle_type2=X, particle_type3=X, particle_type4=CN3B, improper_type=harmonic, k_psi=13.000000, psi_0=0.000000; improper: particle_type1=HN3B, particle_type2=X, particle_type3=X, particle_type4=CN3A, improper_type=harmonic, k_psi=13.000000, psi_0=0.000000; improper: particle_type1=HN3B, particle_type2=X, particle_type3=X, particle_type4=CN3, improper_type=harmonic, k_psi=15.000000, psi_0=0.000000; improper: particle_type1=O, particle_type2=CT3, particle_type3=NH2, particle_type4=CC, improper_type=harmonic, k_psi=45.000000, psi_0=0.000000; improper: particle_type1=O, particle_type2=X, particle_type3=X, particle_type4=C, improper_type=harmonic, k_psi=120.000000, psi_0=0.000000; improper: particle_type1=O, particle_type2=N, particle_type3=CT2, particle_type4=CC, improper_type=harmonic, k_psi=120.000000, psi_0=0.000000; improper: particle_type1=O, particle_type2=CT1, particle_type3=NH2, particle_type4=CC, improper_type=harmonic, k_psi=45.000000, psi_0=0.000000; improper: particle_type1=O, particle_type2=HA, particle_type3=NH2, particle_type4=CC, improper_type=harmonic, k_psi=45.000000, psi_0=0.000000; improper: particle_type1=O, particle_type2=CT2, particle_type3=NH2, particle_type4=CC, improper_type=harmonic, k_psi=45.000000, psi_0=0.000000; improper: particle_type1=O, particle_type2=CP1, particle_type3=NH2, particle_type4=CC, improper_type=harmonic, k_psi=45.000000, psi_0=0.000000; improper: particle_type1=O, particle_type2=NH2, particle_type3=CP1, particle_type4=CC, improper_type=harmonic, k_psi=45.000000, psi_0=0.000000; improper: particle_type1=O, particle_type2=NH2, particle_type3=CT3, particle_type4=CC, improper_type=harmonic, k_psi=45.000000, psi_0=0.000000; improper: particle_type1=O, particle_type2=NH2, particle_type3=CT1, particle_type4=CC, improper_type=harmonic, k_psi=45.000000, psi_0=0.000000; improper: particle_type1=O, particle_type2=NH2, particle_type3=HA, particle_type4=CC, improper_type=harmonic, k_psi=45.000000, psi_0=0.000000; improper: particle_type1=O, particle_type2=NH2, particle_type3=CT2, particle_type4=CC, improper_type=harmonic, k_psi=45.000000, psi_0=0.000000; improper: particle_type1=CT3, particle_type2=X, particle_type3=X, particle_type4=CPB, improper_type=harmonic, k_psi=90.000000, psi_0=0.000000; improper: particle_type1=NN2G, particle_type2=CN4, particle_type3=CN1, particle_type4=HN2, improper_type=harmonic, k_psi=0.800000, psi_0=0.000000; improper: particle_type1=CN4, particle_type2=NN2G, particle_type3=NN3I, particle_type4=HN3, improper_type=harmonic, k_psi=39.000000, psi_0=0.000000; improper: particle_type1=NN1, particle_type2=CN2, particle_type3=HN1, particle_type4=HN1, improper_type=harmonic, k_psi=6.000000, psi_0=0.000000; improper: particle_type1=NR3, particle_type2=CPH1, particle_type3=CPH2, particle_type4=H, improper_type=harmonic, k_psi=1.200000, psi_0=0.000000; improper: particle_type1=NR3, particle_type2=CPH2, particle_type3=CPH1, particle_type4=H, improper_type=harmonic, k_psi=1.200000, psi_0=0.000000; improper: particle_type1=CT2, particle_type2=X, particle_type3=X, particle_type4=CPB, improper_type=harmonic, k_psi=90.000000, psi_0=0.000000; improper: particle_type1=NC2, particle_type2=X, particle_type3=X, particle_type4=C, improper_type=harmonic, k_psi=40.000000, psi_0=0.000000; improper: particle_type1=HE2, particle_type2=HE2, particle_type3=CE2, particle_type4=CE2, improper_type=harmonic, k_psi=3.000000, psi_0=0.000000; improper: particle_type1=HN3, particle_type2=X, particle_type3=X, particle_type4=CN3C, improper_type=harmonic, k_psi=53.000000, psi_0=0.000000; }; nonbonded_2body_potentials { ljspline: particle_type1=S, particle_type2=CAL, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=NY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=ZN, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=NN2C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=OH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CP2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=HNP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=ON1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=HN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=HR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=FNA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=HN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=ON4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=ON5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=OT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CN3T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CN3D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=HB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=NN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=ON1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=NN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CN1A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=NN3I, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=FE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=NN2G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=MG, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CN5G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=HS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CPH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=NN3G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=NN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=NP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=HE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CNA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=NR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CNA2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=HN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=HE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=NN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=HN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=HN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=N, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=NH3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=NN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=NE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=HR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CPB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=NH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=DUM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CES, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=H, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=OM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CPT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=NPH, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=HNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=ON6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=HN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=NN1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CT2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=P2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=NN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=OB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=HT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=HN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=NN2U, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=ON6B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=NR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=SS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=NR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=SOD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=ON2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CP1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=HN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=HE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=NN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=HR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CPA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CN7B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=P, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=HN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=NC2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=SM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=HN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CPH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=ON3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CPM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=OS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CLA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=NH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CN7D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=NN2B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=HA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CN7C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CP3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=S, particle_type2=CN8B, r_cut=3.500000, r_l=3.100000; 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ljspline: particle_type1=CAL, particle_type2=CES, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CAL, particle_type2=H, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CAL, particle_type2=OM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CAL, particle_type2=CPT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CAL, particle_type2=NPH, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CAL, particle_type2=CNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CAL, particle_type2=CN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CAL, particle_type2=HNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CAL, particle_type2=ON6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CAL, particle_type2=HN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CAL, particle_type2=NN1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CAL, particle_type2=CT2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CAL, particle_type2=CS, r_cut=3.500000, r_l=3.100000; 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ljspline: particle_type1=CD, particle_type2=NH3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=CN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=CN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=NN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=NE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=HR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=CPB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=NH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=DUM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=CES, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=H, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=OM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=CPT, r_cut=3.500000, r_l=3.100000; 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ljspline: particle_type1=CD, particle_type2=HR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=CPA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=CN7B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=P, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=HN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=CE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=NC2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=SM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=HN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=CPH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=ON3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=CPM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=OS, r_cut=3.500000, r_l=3.100000; 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ljspline: particle_type1=CD, particle_type2=CN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=HN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=CN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=CN1T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=O, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=CT3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=CT1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=HC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=HNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=POT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CD, particle_type2=HP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OH1, particle_type2=S, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OH1, particle_type2=CAL, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OH1, particle_type2=NY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OH1, particle_type2=ZN, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OH1, particle_type2=NN2C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OH1, particle_type2=CD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OH1, particle_type2=CP2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OH1, particle_type2=HNP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OH1, particle_type2=ON1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OH1, particle_type2=HN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OH1, particle_type2=HR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OH1, particle_type2=FNA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OH1, particle_type2=HN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OH1, particle_type2=ON4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OH1, particle_type2=ON5, r_cut=3.500000, r_l=3.100000; 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ljspline: particle_type1=OH1, particle_type2=FE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OH1, particle_type2=CA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OH1, particle_type2=NN2G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OH1, particle_type2=CN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OH1, particle_type2=CN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OH1, particle_type2=CM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OH1, particle_type2=MG, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OH1, particle_type2=CN5G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OH1, particle_type2=HS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OH1, particle_type2=CPH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OH1, particle_type2=NN3G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OH1, particle_type2=NN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OH1, particle_type2=NP, r_cut=3.500000, r_l=3.100000; 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ljspline: particle_type1=CP2, particle_type2=CN7B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=P, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=HN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=CE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=NC2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=SM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=HN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=CPH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=ON3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=CPM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=OS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=CLA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=NH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=CN7D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=NN2B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=HA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=CN7C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=CP3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=CN8B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=CN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=FN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=CY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=OC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=ON2b, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=CN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=HN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=CN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=CN1T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=O, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=CT3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=CT1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=HC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=HNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=POT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CP2, particle_type2=HP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=S, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CAL, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=NY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=ZN, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=NN2C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=OH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CP2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=ON1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=HN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=HR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=FNA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=HN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=ON4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=ON5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=OT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CN3T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CN3D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=HB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=NN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=ON1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=NN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CN1A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=NN3I, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=FE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=NN2G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=MG, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CN5G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=HS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CPH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=NN3G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=NN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=NP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=HE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CNA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=NR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CNA2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=HN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=HE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=NN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=HN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=HN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=N, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=NH3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=NN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=NE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=HR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CPB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=NH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=DUM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CES, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=H, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=OM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CPT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=NPH, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=HNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=ON6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=HN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=NN1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CT2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=P2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=NN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=OB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=HT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=HN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=NN2U, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=ON6B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=NR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=SS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=NR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=SOD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=ON2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CP1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=HN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=HE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=NN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=HR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CPA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CN7B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=P, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=HN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=NC2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=SM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=HN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CPH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=ON3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CPM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=OS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CLA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=NH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CN7D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=NN2B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=HA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CN7C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CP3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CN8B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=FN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=OC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=ON2b, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=HN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CN1T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=O, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CT3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=CT1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=HC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=HNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=POT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNP, particle_type2=HP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=S, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=CAL, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=NY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=ZN, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=NN2C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=CD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=OH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=CP2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=HNP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=HN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=HR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=FNA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=HN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=ON4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=ON5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=CE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=OT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=CN3T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=CN3D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=CN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=HB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=NN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=CN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=ON1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=NN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=CN1A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=NN3I, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=FE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=CA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=NN2G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=CN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=CN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=CM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=MG, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=CN5G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=HS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=CPH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=NN3G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=NN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=NP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=HE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=CNA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON1C, particle_type2=NR3, r_cut=3.500000, r_l=3.100000; 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ljspline: particle_type1=CA, particle_type2=CN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=HT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=HN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=NN2U, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=ON6B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=NR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=SS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=NR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=SOD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=ON2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=CP1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=HN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=HE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=NN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=HR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=CPA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=CN7B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=P, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=HN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=CE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=NC2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=SM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=HN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=CPH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=ON3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=CPM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=OS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=CLA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=NH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=CN7D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=NN2B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=HA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=CN7C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=CP3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=CN8B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=CN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=FN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=CY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=OC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=ON2b, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=CN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=HN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=CN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=CN1T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=O, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=CT3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=CT1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=HC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=HNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=POT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CA, particle_type2=HP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN2G, particle_type2=S, r_cut=3.500000, r_l=3.100000; 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ljspline: particle_type1=HS, particle_type2=NN1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=CT2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=CS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=P2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=NN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=OB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=CN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=HT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=HN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=NN2U, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=ON6B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=NR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=SS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=NR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=SOD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=ON2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=CP1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=HN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=HE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=NN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=HR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=CPA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=CN7B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=P, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=HN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=CE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=NC2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=SM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=HN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=CPH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=ON3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=CPM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=OS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=CLA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=NH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=CN7D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=NN2B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=HA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=CN7C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=CP3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=CN8B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=CN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=FN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=CY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=OC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=ON2b, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=CN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=HN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=CN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=CN1T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=O, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HS, particle_type2=CT3, r_cut=3.500000, r_l=3.100000; 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ljspline: particle_type1=CPH2, particle_type2=HB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CPH2, particle_type2=NN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CPH2, particle_type2=CN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CPH2, particle_type2=ON1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CPH2, particle_type2=NN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CPH2, particle_type2=C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CPH2, particle_type2=CN1A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CPH2, particle_type2=NN3I, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CPH2, particle_type2=FE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CPH2, particle_type2=CA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CPH2, particle_type2=NN2G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CPH2, particle_type2=CN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CPH2, particle_type2=CN4, r_cut=3.500000, r_l=3.100000; 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ljspline: particle_type1=NN3G, particle_type2=CS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN3G, particle_type2=P2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN3G, particle_type2=NN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN3G, particle_type2=OB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN3G, particle_type2=CN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN3G, particle_type2=HT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN3G, particle_type2=HN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN3G, particle_type2=NN2U, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN3G, particle_type2=ON6B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN3G, particle_type2=NR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN3G, particle_type2=SS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN3G, particle_type2=NR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN3G, particle_type2=SOD, r_cut=3.500000, r_l=3.100000; 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ljspline: particle_type1=NN3G, particle_type2=HNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN3G, particle_type2=POT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN3G, particle_type2=HP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=S, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CAL, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=NY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=ZN, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=NN2C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=OH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CP2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=HNP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=ON1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=HN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=HR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=FNA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=HN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=ON4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=ON5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=OT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CN3T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CN3D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=HB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=NN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=ON1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=NN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CN1A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=NN3I, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=FE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=NN2G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=MG, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CN5G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=HS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CPH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=NN3G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=NP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=HE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CNA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=NR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CNA2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=HN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=HE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=NN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=HN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=HN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=N, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=NH3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=NN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=NE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=HR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CPB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=NH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=DUM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CES, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=H, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=OM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CPT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=NPH, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=HNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=ON6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=HN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=NN1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CT2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=P2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=NN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=OB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=HT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=HN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=NN2U, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=ON6B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=NR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=SS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=NR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=SOD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=ON2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CP1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=HN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=HE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=NN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=HR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CPA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CN7B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=P, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=HN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=NC2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=SM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=HN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CPH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=ON3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CPM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=OS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CLA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=NH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CN7D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=NN2B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=HA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CN7C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CP3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CN8B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=FN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=OC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=ON2b, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=HN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CN1T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=O, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CT3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=CT1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=HC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=HNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=POT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NN1, particle_type2=HP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=S, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CAL, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=NY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=ZN, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=NN2C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=OH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CP2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=HNP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=ON1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=HN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=HR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=FNA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=HN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=ON4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=ON5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=OT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CN3T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CN3D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=HB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=NN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=ON1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=NN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CN1A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=NN3I, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=FE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=NN2G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=MG, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CN5G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=HS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CPH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=NN3G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=NN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=HE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CNA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=NR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CNA2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=HN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=HE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=NN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=HN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=HN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=N, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=NH3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=NN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=NE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=HR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CPB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=NH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=DUM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CES, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=H, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=OM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CPT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=NPH, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=HNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=ON6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=HN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=NN1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CT2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=P2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=NN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=OB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=HT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=HN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=NN2U, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=ON6B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=NR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=SS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=NR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=SOD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=ON2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CP1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=HN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=HE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=NN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=HR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CPA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CN7B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=P, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=HN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=NC2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=SM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=HN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CPH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=ON3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CPM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=OS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CLA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=NH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CN7D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=NN2B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=HA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CN7C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CP3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CN8B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=FN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=OC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=ON2b, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=HN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CN1T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=O, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CT3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=CT1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=HC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=HNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NP, particle_type2=POT, r_cut=3.500000, r_l=3.100000; 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ljspline: particle_type1=HE1, particle_type2=FNA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=HN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=ON4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=ON5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=OT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CN3T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CN3D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=HB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=NN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=ON1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=NN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CN1A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=NN3I, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=FE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=NN2G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=MG, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CN5G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=HS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CPH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=NN3G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=NN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=NP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CNA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=NR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CNA2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=HN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=HE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=NN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=HN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=HN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=N, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=NH3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=NN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=NE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=HR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CPB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=NH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=DUM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CES, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=H, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=OM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CPT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=NPH, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=HNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=ON6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=HN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=NN1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CT2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=P2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=NN2, r_cut=3.500000, r_l=3.100000; 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ljspline: particle_type1=HE1, particle_type2=HE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=NN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=HR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CPA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CN7B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=P, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=HN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=NC2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=SM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=HN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CPH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=ON3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CPM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=OS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CLA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=NH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CN7D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=NN2B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=HA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CN7C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CP3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CN8B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=FN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=OC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=ON2b, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=HN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CN1T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=O, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CT3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=CT1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=HC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=HNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=POT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HE1, particle_type2=HP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=S, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CAL, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=NY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=ZN, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=NN2C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=OH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CP2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=HNP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=ON1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=HN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=HR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=FNA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=HN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=ON4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=ON5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=OT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CN3T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CN3D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=HB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=NN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=ON1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=NN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CN1A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=NN3I, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=FE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=NN2G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=MG, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CN5G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=HS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CPH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=NN3G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=NN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=NP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=HE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=NR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CNA2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=HN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=HE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=NN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=HN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=HN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=N, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=NH3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=NN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=NE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=HR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CPB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=NH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=DUM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CES, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=H, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=OM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CPT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=NPH, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=HNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=ON6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=HN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=NN1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CT2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=P2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=NN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=OB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=HT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=HN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=NN2U, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=ON6B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=NR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=SS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=NR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=SOD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=ON2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CP1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=HN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=HE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=NN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=HR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CPA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CN7B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=P, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=HN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=NC2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=SM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=HN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CPH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=ON3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CPM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=OS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CLA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=NH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CN7D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=NN2B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=HA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CN7C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CP3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CN8B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=FN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=OC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=ON2b, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=HN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CN1T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=O, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CT3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=CT1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=HC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=HNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=POT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNA, particle_type2=HP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=S, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=CAL, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=NY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=ZN, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=NN2C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=CD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=OH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=CP2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=HNP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=ON1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=HN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=HR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=FNA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=HN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=ON4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=ON5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=CE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=OT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=CN3T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=CN3D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=CN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=HB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=NN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=CN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=ON1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=NN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=CN1A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=NN3I, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=FE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=CA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=NN2G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=CN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=CN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=CM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=MG, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=CN5G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=HS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=CPH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=NN3G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=NN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=NP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=HE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=CNA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=CNA2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=HN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=HE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=CNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=NN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=HN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=CC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=HN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=N, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=NH3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=CN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=CN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=NN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=NE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=HR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=CPB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=NH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=DUM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=CES, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=H, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=OM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=CPT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=NPH, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=CNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=CN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=HNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=ON6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=HN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=NN1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=CT2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=CS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=P2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=NN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=OB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR3, particle_type2=CN3, r_cut=3.500000, r_l=3.100000; 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ljspline: particle_type1=CES, particle_type2=CP3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CES, particle_type2=CN8B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CES, particle_type2=CN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CES, particle_type2=FN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CES, particle_type2=CY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CES, particle_type2=OC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CES, particle_type2=ON2b, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CES, particle_type2=CN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CES, particle_type2=HN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CES, particle_type2=CN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CES, particle_type2=CN1T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CES, particle_type2=O, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CES, particle_type2=CT3, r_cut=3.500000, r_l=3.100000; 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ljspline: particle_type1=H, particle_type2=SOD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=H, particle_type2=ON2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=H, particle_type2=CP1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=H, particle_type2=HN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=H, particle_type2=HE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=H, particle_type2=NN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=H, particle_type2=HR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=H, particle_type2=CPA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=H, particle_type2=CN7B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=H, particle_type2=P, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=H, particle_type2=HN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=H, particle_type2=CE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=H, particle_type2=NC2, r_cut=3.500000, r_l=3.100000; 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ljspline: particle_type1=H, particle_type2=CN8B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=H, particle_type2=CN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=H, particle_type2=FN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=H, particle_type2=CY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=H, particle_type2=OC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=H, particle_type2=ON2b, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=H, particle_type2=CN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=H, particle_type2=HN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=H, particle_type2=CN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=H, particle_type2=CN1T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=H, particle_type2=O, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=H, particle_type2=CT3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=H, particle_type2=CT1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=H, particle_type2=HC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=H, particle_type2=HNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=H, particle_type2=POT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=H, particle_type2=HP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=S, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=CAL, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=NY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=ZN, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=NN2C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=CD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=OH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=CP2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=HNP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=ON1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=HN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=HR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=FNA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=HN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=ON4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=ON5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=CE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=OT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=CN3T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=CN3D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=CN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=HB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=NN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=CN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=ON1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=NN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=CN1A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=NN3I, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=FE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=CA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=NN2G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=CN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=CN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=CM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=MG, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=CN5G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=HS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=CPH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=NN3G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=NN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=NP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=HE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=CNA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=NR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=CNA2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=HN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=HE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=CNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=NN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=HN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=CC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=HN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=N, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=NH3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=CN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=CN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=NN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=NE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=HR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=CPB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=NH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=DUM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=CES, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=H, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=CPT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=NPH, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=CNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=CN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=HNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=ON6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=HN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=NN1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=OM, particle_type2=CT2, r_cut=3.500000, r_l=3.100000; 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ljspline: particle_type1=NPH, particle_type2=ON1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=NN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CN1A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=NN3I, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=FE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=NN2G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=MG, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CN5G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=HS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CPH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=NN3G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=NN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=NP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=HE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CNA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=NR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CNA2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=HN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=HE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=NN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=HN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=HN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=N, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=NH3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=NN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=NE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=HR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CPB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=NH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=DUM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CES, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=H, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=OM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CPT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=HNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=ON6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=HN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=NN1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CT2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=P2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=NN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=OB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=HT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=HN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=NN2U, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=ON6B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=NR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=SS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=NR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=SOD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=ON2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CP1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=HN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=HE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=NN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=HR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CPA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CN7B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=P, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=HN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=NC2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=SM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=HN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CPH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=ON3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CPM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=OS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CLA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=NH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CN7D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=NN2B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=HA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CN7C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CP3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CN8B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=FN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=OC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=ON2b, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=HN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CN1T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=O, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CT3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=CT1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=HC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=HNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=POT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NPH, particle_type2=HP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=S, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CAL, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=NY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=ZN, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=NN2C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=OH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CP2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=HNP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=ON1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=HN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=HR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=FNA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=HN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=ON4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=ON5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=OT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CN3T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CN3D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=HB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=NN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=ON1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=NN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CN1A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=NN3I, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=FE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=NN2G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=MG, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CN5G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=HS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CPH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=NN3G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=NN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=NP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=HE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CNA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=NR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CNA2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=HN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=HE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=NN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=HN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=HN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=N, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=NH3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=NN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=NE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=HR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CPB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=NH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=DUM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CES, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=H, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=OM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CPT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=NPH, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=HNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=ON6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=HN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=NN1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CT2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=P2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=NN2, r_cut=3.500000, r_l=3.100000; 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ljspline: particle_type1=CNE2, particle_type2=CPM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=OS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CLA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=NH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CN7D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=NN2B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=HA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CN7C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CP3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CN8B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=FN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CNE2, particle_type2=CY, r_cut=3.500000, r_l=3.100000; 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ljspline: particle_type1=CN3C, particle_type2=HN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CN3C, particle_type2=ON4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CN3C, particle_type2=ON5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CN3C, particle_type2=CE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CN3C, particle_type2=OT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CN3C, particle_type2=CN3T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CN3C, particle_type2=CN3D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CN3C, particle_type2=CN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CN3C, particle_type2=HB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CN3C, particle_type2=NN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CN3C, particle_type2=CN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CN3C, particle_type2=ON1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CN3C, particle_type2=NN3A, r_cut=3.500000, r_l=3.100000; 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ljspline: particle_type1=NR2, particle_type2=NH3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR2, particle_type2=CN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR2, particle_type2=CN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR2, particle_type2=NN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR2, particle_type2=NE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR2, particle_type2=HR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR2, particle_type2=CPB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR2, particle_type2=NH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR2, particle_type2=DUM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR2, particle_type2=CES, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR2, particle_type2=H, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR2, particle_type2=OM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR2, particle_type2=CPT, r_cut=3.500000, r_l=3.100000; 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ljspline: particle_type1=SS, particle_type2=CN7D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SS, particle_type2=NN2B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SS, particle_type2=HA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SS, particle_type2=CN7C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SS, particle_type2=CP3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SS, particle_type2=CN8B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SS, particle_type2=CN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SS, particle_type2=FN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SS, particle_type2=CY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SS, particle_type2=OC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SS, particle_type2=ON2b, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SS, particle_type2=CN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SS, particle_type2=HN5, r_cut=3.500000, r_l=3.100000; 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ljspline: particle_type1=NR1, particle_type2=OT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CN3T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CN3D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=HB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=NN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=ON1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=NN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CN1A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=NN3I, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=FE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=NN2G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=MG, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CN5G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=HS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CPH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=NN3G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=NN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=NP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=HE1, r_cut=3.500000, r_l=3.100000; 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ljspline: particle_type1=NR1, particle_type2=CN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=NN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=NE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=HR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CPB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=NH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=DUM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CES, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=H, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=OM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CPT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=NPH, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CNE2, r_cut=3.500000, r_l=3.100000; 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ljspline: particle_type1=NR1, particle_type2=NN2U, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=ON6B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=NR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=SS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=SOD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=ON2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CP1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=HN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=HE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=NN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=HR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CPA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CN7B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=P, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=HN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=NC2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=SM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=HN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CPH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=ON3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CPM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=OS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CLA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=NH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CN7D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=NN2B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=HA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CN7C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CP3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CN8B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=FN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=OC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=ON2b, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=HN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CN1T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=O, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CT3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=CT1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=HC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=HNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=POT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NR1, particle_type2=HP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=S, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CAL, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=NY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=ZN, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=NN2C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=OH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CP2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=HNP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=ON1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=HN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=HR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=FNA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=HN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=ON4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=ON5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=OT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CN3T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CN3D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=HB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=NN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=ON1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=NN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CN1A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=NN3I, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=FE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=NN2G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=MG, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CN5G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=HS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CPH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=NN3G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=NN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=NP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=HE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CNA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=NR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CNA2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=HN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=HE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=NN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=HN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=HN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=N, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=NH3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=NN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=NE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=HR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CPB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=NH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=DUM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CES, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=H, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=OM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CPT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=NPH, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=HNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=ON6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=HN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=NN1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CT2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=P2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=NN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=OB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=HT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=HN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=NN2U, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=ON6B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=NR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=SS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=NR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=ON2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CP1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=HN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=HE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=NN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=HR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CPA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CN7B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=P, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=HN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=NC2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=SM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=HN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CPH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=ON3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CPM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=OS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CLA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=NH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CN7D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=NN2B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=HA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CN7C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CP3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CN8B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=FN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=OC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=ON2b, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=HN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CN1T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=O, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CT3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=CT1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=HC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=HNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=POT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=SOD, particle_type2=HP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON2, particle_type2=S, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON2, particle_type2=CAL, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON2, particle_type2=NY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON2, particle_type2=ZN, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON2, particle_type2=NN2C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON2, particle_type2=CD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON2, particle_type2=OH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON2, particle_type2=CP2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON2, particle_type2=HNP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON2, particle_type2=ON1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON2, particle_type2=HN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON2, particle_type2=HR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON2, particle_type2=FNA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON2, particle_type2=HN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON2, particle_type2=ON4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON2, particle_type2=ON5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON2, particle_type2=CE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON2, particle_type2=OT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=ON2, particle_type2=CN3T, r_cut=3.500000, r_l=3.100000; 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ljspline: particle_type1=CLA, particle_type2=CP1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=HN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=HE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=NN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=HR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=CPA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=CN7B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=P, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=HN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=CE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=NC2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=SM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=HN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=CPH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=ON3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=CPM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=OS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=NH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=CN7D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=NN2B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=HA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=CN7C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=CP3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=CN8B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=CN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=FN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=CY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=OC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=ON2b, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=CN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=HN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=CN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=CN1T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=O, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=CT3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=CT1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=HC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=HNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=POT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CLA, particle_type2=HP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=S, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CAL, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=NY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=ZN, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=NN2C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=OH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CP2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=HNP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=ON1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=HN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=HR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=FNA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=HN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=ON4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=ON5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=OT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CN3T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CN3D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=HB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=NN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=ON1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=NN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CN1A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=NN3I, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=FE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=NN2G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=MG, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CN5G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=HS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CPH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=NN3G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=NN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=NP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=HE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CNA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=NR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CNA2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=HN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=HE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=NN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=HN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=HN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=N, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=NH3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=NN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=NE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=HR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CPB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=NH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=DUM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CES, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=H, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=OM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CPT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=NPH, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=HNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=ON6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=HN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=NN1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CT2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=P2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=NN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=OB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=HT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=HN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=NN2U, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=ON6B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=NR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=SS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=NR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=SOD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=ON2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CP1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=HN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=HE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=NN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=HR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CPA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CN7B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=P, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=HN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=NC2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=SM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=HN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CPH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=ON3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CPM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=OS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CLA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CN7D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=NN2B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=HA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CN7C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CP3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CN8B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=FN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=OC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=ON2b, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=HN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CN1T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=O, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CT3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=CT1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=HC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=HNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=POT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=NH1, particle_type2=HP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CN7D, particle_type2=S, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CN7D, particle_type2=CAL, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CN7D, particle_type2=NY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CN7D, particle_type2=ZN, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CN7D, particle_type2=NN2C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CN7D, particle_type2=CD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CN7D, particle_type2=OH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CN7D, particle_type2=CP2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CN7D, particle_type2=HNP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CN7D, particle_type2=ON1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CN7D, particle_type2=HN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CN7D, particle_type2=HR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CN7D, particle_type2=FNA, r_cut=3.500000, r_l=3.100000; 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ljspline: particle_type1=CT1, particle_type2=CN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CT1, particle_type2=NN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CT1, particle_type2=NE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CT1, particle_type2=HR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CT1, particle_type2=CPB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CT1, particle_type2=NH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CT1, particle_type2=DUM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CT1, particle_type2=CES, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CT1, particle_type2=H, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CT1, particle_type2=OM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CT1, particle_type2=CPT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CT1, particle_type2=NPH, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=CT1, particle_type2=CNE2, r_cut=3.500000, r_l=3.100000; 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ljspline: particle_type1=HC, particle_type2=NN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=NE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=HR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=CPB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=NH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=DUM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=CES, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=H, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=OM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=CPT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=NPH, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=CNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=CN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=HNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=ON6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=HN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=NN1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=CT2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=CS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=P2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=NN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=OB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=CN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=HT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=HN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=NN2U, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=ON6B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=NR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=SS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=NR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=SOD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=ON2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=CP1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=HN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=HE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=NN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=HR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=CPA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=CN7B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=P, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=HN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=CE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=NC2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=SM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=HN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=CPH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=ON3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=CPM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=OS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=CLA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=NH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=CN7D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=NN2B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=HA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=CN7C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=CP3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=CN8B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=CN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=FN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=CY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=OC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=ON2b, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=CN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=HN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=CN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=CN1T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=O, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=CT3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=CT1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=HNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=POT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HC, particle_type2=HP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=S, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CAL, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=NY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=ZN, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=NN2C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=OH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CP2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=HNP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=ON1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=HN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=HR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=FNA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=HN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=ON4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=ON5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=OT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CN3T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CN3D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=HB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=NN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=ON1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=NN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CN1A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=NN3I, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=FE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=NN2G, r_cut=3.500000, r_l=3.100000; 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ljspline: particle_type1=HNE2, particle_type2=CNA2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=HN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=HE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=NN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=HN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=HN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=N, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=NH3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=NN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=NE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=HR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CPB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=NH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=DUM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CES, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=H, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=OM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CPT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=NPH, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=HNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=ON6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=HN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=NN1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CT2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=P2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=NN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=OB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=HT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=HN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=NN2U, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=ON6B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=NR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=SS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=NR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=SOD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=ON2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CP1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=HN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=HE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=NN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=HR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CPA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CN7B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=P, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=HN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=NC2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=SM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=HN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CPH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=ON3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CPM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=OS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CLA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=NH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CN7D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=NN2B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=HA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CN7C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CP3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CN8B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=FN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=OC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=ON2b, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=HN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CN1T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=O, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CT3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=CT1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=HC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=POT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HNE2, particle_type2=HP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=S, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CAL, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=NY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=ZN, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=NN2C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=OH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CP2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=HNP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=ON1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=HN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=HR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=FNA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=HN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=ON4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=ON5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=OT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CN3T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CN3D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=HB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=NN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=ON1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=NN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CN1A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=NN3I, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=FE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=NN2G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=MG, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CN5G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=HS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CPH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=NN3G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=NN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=NP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=HE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CNA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=NR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CNA2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=HN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=HE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=NN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=HN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=HN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=N, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=NH3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=NN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=NE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=HR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CPB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=NH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=DUM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CES, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=H, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=OM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CPT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=NPH, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=HNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=ON6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=HN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=NN1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CT2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=P2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=NN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=OB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=HT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=HN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=NN2U, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=ON6B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=NR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=SS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=NR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=SOD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=ON2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CP1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=HN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=HE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=NN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=HR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CPA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CN7B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=P, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=HN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=NC2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=SM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=HN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CPH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=ON3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CPM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=OS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CLA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=NH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CN7D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=NN2B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=HA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CN7C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CP3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CN8B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=FN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=OC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=ON2b, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=HN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CN1T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=O, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CT3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=CT1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=HC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=HNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=POT, particle_type2=HP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=S, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CAL, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=NY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=ZN, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=NN2C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=OH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CP2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=HNP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=ON1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=HN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=HR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=FNA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=HN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=ON4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=ON5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=OT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CN3T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CN3D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=HB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=NN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=ON1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=NN3A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CN1A, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=NN3I, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=FE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=NN2G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=MG, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CN5G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=HS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CPH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=NN3G, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=NN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=NP, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=HE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CNA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=NR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CNA2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=HN9, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=HE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=NN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=HN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=HN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=N, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=NH3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=NN6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=NE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=HR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CPB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=NH2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=DUM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CES, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=H, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=OM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CPT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=NPH, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=HNE1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=ON6, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=HN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=NN1C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CT2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=P2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=NN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=OB, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CN3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=HT, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=HN3C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=NN2U, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=ON6B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=NR2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=SS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=NR1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=SOD, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=ON2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CP1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=HN8, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=HE, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=NN4, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=HR3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CPA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CN7B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=P, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=HN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=NC2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=SM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=HN2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CPH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=ON3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CPM, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=OS, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CLA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=NH1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CN7D, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=NN2B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=HA, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CN7C, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CP3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CN8B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CN7, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=FN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CY, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=OC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=ON2b, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CN3B, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=HN5, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CN1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CN1T, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=O, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CT3, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=CT1, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=HC, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=HNE2, r_cut=3.500000, r_l=3.100000; ljspline: particle_type1=HP, particle_type2=POT, r_cut=3.500000, r_l=3.100000; };