| 1 | # ParallelCarParinello - main configuration file - created with molecuilder
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| 2 |
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| 3 | mainname pcp # programm name (for runtime files)
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| 4 | defaultpath not specified # where to put files during runtime
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| 5 | pseudopotpath not specified # where to find pseudopotentials
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| 6 |
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| 7 | ProcPEGamma 8 # for parallel computing: share constants
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| 8 | ProcPEPsi 1 # for parallel computing: share wave functions
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| 9 | DoOutVis 0 # Output data for OpenDX
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| 10 | DoOutMes 1 # Output data for measurements
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| 11 | DoOutOrbitals 0 # Output all Orbitals
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| 12 | DoOutCurr 0 # Ouput current density for OpenDx
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| 13 | DoOutNICS 0 # Output Nucleus independent current shieldings
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| 14 | DoPerturbation 0 # Do perturbation calculate and determine susceptibility and shielding
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| 15 | DoFullCurrent 0 # Do full perturbation
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| 16 | DoConstrainedMD 0 # Do perform a constrained (>0, relating to current MD step) instead of unconstrained (0) MD
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| 17 | Thermostat Berendsen 2.5 # Which Thermostat and its parameters to use in MD case.
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| 18 | CommonWannier 0 # Put virtual centers at indivual orbits, all common, merged by variance, to grid point, to cell center
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| 19 | SawtoothStart 0.01 # Absolute value for smooth transition at cell border
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| 20 | VectorPlane 0 # Cut plane axis (x, y or z: 0,1,2) for two-dim current vector plot
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| 21 | VectorCut 0 # Cut plane axis value
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| 22 | AddGramSch 1 # Additional GramSchmidtOrtogonalization to be safe
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| 23 | Seed 1 # initial value for random seed for Psi coefficients
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| 24 |
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| 25 | MaxOuterStep 0 # number of MolecularDynamics/Structure optimization steps
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| 26 | Deltat 0.01 # time per MD step
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| 27 | OutVisStep 10 # Output visual data every ...th step
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| 28 | OutSrcStep 5 # Output "restart" data every ..th step
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| 29 | TargetTemp 0.000950045 # Target temperature
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| 30 | MaxPsiStep 3 # number of Minimisation steps per state (0 - default)
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| 31 | EpsWannier 1e-07 # tolerance value for spread minimisation of orbitals
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| 32 |
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| 33 | # Values specifying when to stop
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| 34 | MaxMinStep 100 # Maximum number of steps
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| 35 | RelEpsTotalE 1e-07 # relative change in total energy
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| 36 | RelEpsKineticE 1e-05 # relative change in kinetic energy
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| 37 | MaxMinStopStep 672 # check every ..th steps
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| 38 | MaxMinGapStopStep 1 # check every ..th steps
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| 39 |
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| 40 | # Values specifying when to stop for INIT, otherwise same as above
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| 41 | MaxInitMinStep 100 # Maximum number of steps
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| 42 | InitRelEpsTotalE 1e-05 # relative change in total energy
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| 43 | InitRelEpsKineticE 0.0001 # relative change in kinetic energy
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| 44 | InitMaxMinStopStep 672 # check every ..th steps
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| 45 | InitMaxMinGapStopStep 1 # check every ..th steps
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| 46 |
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| 47 | BoxLength # (Length of a unit cell)
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| 48 | 20
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| 49 | 0 20
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| 50 | 0 0 20
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| 51 |
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| 52 | ECut 128 # energy cutoff for discretization in Hartrees
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| 53 | MaxLevel 5 # number of different levels in the code, >=2
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| 54 | Level0Factor 2 # factor by which node number increases from S to 0 level
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| 55 | RiemannTensor 0 # (Use metric)
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| 56 | PsiType 0 # 0 - doubly occupied, 1 - SpinUp,SpinDown
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| 57 | MaxPsiDouble 672 # here: specifying both maximum number of SpinUp- and -Down-states
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| 58 | PsiMaxNoUp 672 # here: specifying maximum number of SpinUp-states
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| 59 | PsiMaxNoDown 672 # here: specifying maximum number of SpinDown-states
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| 60 | AddPsis 0 # Additional unoccupied Psis for bandgap determination
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| 61 |
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| 62 | RCut 20 # R-cut for the ewald summation
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| 63 | StructOpt 0 # Do structure optimization beforehand
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| 64 | IsAngstroem 1 # 0 - Bohr, 1 - Angstroem
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| 65 | RelativeCoord 0 # whether ion coordinates are relative (1) or absolute (0)
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| 66 | MaxTypes 3 # maximum number of different ion types
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| 67 |
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| 68 | # Ion type data (PP = PseudoPotential, Z = atomic number)
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| 69 | #Ion_TypeNr. Amount Z RGauss L_Max(PP)L_Loc(PP)IonMass # chemical name, symbol
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| 70 | Ion_Type1 670 1 1.0 3 3 1.00800000000 Hydrogen H
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| 71 | Ion_Type2 3 6 1.0 3 3 12.01100000000 Carbon C
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| 72 | Ion_Type3 331 8 1.0 3 3 15.99900000000 Oxygen O
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| 73 | #Ion_TypeNr._Nr.R[0] R[1] R[2] MoveType (0 MoveIon, 1 FixedIon)
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| 74 | Ion_Type1_1 9.782085945 2.645886050 2.645886050 0 # molecule nr 0
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| 75 | Ion_Type1_2 9.782085945 2.645886050 4.425886024 0 # molecule nr 1
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| 76 | Ion_Type1_3 10.672039608 3.904536878 3.535886037 0 # molecule nr 2
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| 77 | Ion_Type1_4 8.532785963 4.787886018 2.645886050 0 # molecule nr 3
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| 78 | Ion_Type1_5 8.532785963 4.787886018 4.425886024 0 # molecule nr 4
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| 79 | Ion_Type1_6 6.393632318 3.904536877 3.535886037 0 # molecule nr 5
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| 80 | Ion_Type1_7 7.283585982 2.645886050 2.645886050 0 # molecule nr 6
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| 81 | Ion_Type1_8 7.283585982 2.645886050 4.425886024 0 # molecule nr 7
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| 82 | Ion_Type1_9 17.901459143 17.142857143 18.151425143 0 # molecule nr 8
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| 83 | Ion_Type1_10 17.901459143 17.142857143 17.142857143 0 # molecule nr 9
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| 84 | Ion_Type1_11 0.758602000 0.000000000 6.722853714 0 # molecule nr 10
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| 85 | Ion_Type1_12 0.758602000 0.000000000 5.714285714 0 # molecule nr 11
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| 86 | Ion_Type1_13 0.758602000 0.000000000 9.579996571 0 # molecule nr 12
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| 87 | Ion_Type1_14 0.758602000 0.000000000 8.571428571 0 # molecule nr 13
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| 88 | Ion_Type1_15 0.758602000 0.000000000 12.437139429 0 # molecule nr 14
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| 89 | Ion_Type1_16 0.758602000 0.000000000 11.428571429 0 # molecule nr 15
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| 90 | Ion_Type1_17 0.758602000 0.000000000 15.294282286 0 # molecule nr 16
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| 91 | Ion_Type1_18 0.758602000 0.000000000 14.285714286 0 # molecule nr 17
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| 92 | Ion_Type1_19 0.758602000 0.000000000 18.151425143 0 # molecule nr 18
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| 93 | Ion_Type1_20 0.758602000 0.000000000 17.142857143 0 # molecule nr 19
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| 94 | Ion_Type1_21 0.758602000 2.857142857 1.008568000 0 # molecule nr 20
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| 95 | Ion_Type1_22 0.758602000 2.857142857 0.000000000 0 # molecule nr 21
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| 96 | Ion_Type1_23 0.758602000 2.857142857 3.865710857 0 # molecule nr 22
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| 97 | Ion_Type1_24 0.758602000 2.857142857 2.857142857 0 # molecule nr 23
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| 98 | Ion_Type1_25 0.758602000 2.857142857 6.722853714 0 # molecule nr 24
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| 99 | Ion_Type1_26 0.758602000 2.857142857 5.714285714 0 # molecule nr 25
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| 100 | Ion_Type1_27 0.758602000 2.857142857 9.579996571 0 # molecule nr 26
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| 101 | Ion_Type1_28 0.758602000 2.857142857 8.571428571 0 # molecule nr 27
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| 102 | Ion_Type1_29 0.758602000 2.857142857 12.437139429 0 # molecule nr 28
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| 103 | Ion_Type1_30 0.758602000 2.857142857 11.428571429 0 # molecule nr 29
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| 104 | Ion_Type1_31 0.758602000 2.857142857 15.294282286 0 # molecule nr 30
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| 105 | Ion_Type1_32 0.758602000 2.857142857 14.285714286 0 # molecule nr 31
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| 106 | Ion_Type1_33 0.758602000 2.857142857 18.151425143 0 # molecule nr 32
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| 107 | Ion_Type1_34 0.758602000 2.857142857 17.142857143 0 # molecule nr 33
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| 108 | Ion_Type1_35 0.758602000 5.714285714 1.008568000 0 # molecule nr 34
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| 109 | Ion_Type1_36 0.758602000 5.714285714 0.000000000 0 # molecule nr 35
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| 110 | Ion_Type1_37 0.758602000 5.714285714 3.865710857 0 # molecule nr 36
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| 111 | Ion_Type1_38 0.758602000 5.714285714 2.857142857 0 # molecule nr 37
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| 112 | Ion_Type1_39 0.758602000 5.714285714 6.722853714 0 # molecule nr 38
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| 113 | Ion_Type1_40 0.758602000 5.714285714 5.714285714 0 # molecule nr 39
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| 114 | Ion_Type1_41 0.758602000 5.714285714 9.579996571 0 # molecule nr 40
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| 115 | Ion_Type1_42 0.758602000 5.714285714 8.571428571 0 # molecule nr 41
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| 116 | Ion_Type1_43 0.758602000 5.714285714 12.437139429 0 # molecule nr 42
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| 117 | Ion_Type1_44 0.758602000 5.714285714 11.428571429 0 # molecule nr 43
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| 118 | Ion_Type1_45 0.758602000 5.714285714 15.294282286 0 # molecule nr 44
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| 119 | Ion_Type1_46 0.758602000 5.714285714 14.285714286 0 # molecule nr 45
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| 120 | Ion_Type1_47 0.758602000 5.714285714 18.151425143 0 # molecule nr 46
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| 121 | Ion_Type1_48 0.758602000 5.714285714 17.142857143 0 # molecule nr 47
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| 122 | Ion_Type1_49 0.758602000 8.571428571 1.008568000 0 # molecule nr 48
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| 123 | Ion_Type1_50 0.758602000 8.571428571 0.000000000 0 # molecule nr 49
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| 124 | Ion_Type1_51 0.758602000 8.571428571 3.865710857 0 # molecule nr 50
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| 125 | Ion_Type1_52 0.758602000 8.571428571 2.857142857 0 # molecule nr 51
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| 126 | Ion_Type1_53 0.758602000 8.571428571 6.722853714 0 # molecule nr 52
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| 127 | Ion_Type1_54 0.758602000 8.571428571 5.714285714 0 # molecule nr 53
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| 128 | Ion_Type1_55 0.758602000 8.571428571 9.579996571 0 # molecule nr 54
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| 129 | Ion_Type1_56 0.758602000 8.571428571 8.571428571 0 # molecule nr 55
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| 130 | Ion_Type1_57 0.758602000 8.571428571 12.437139429 0 # molecule nr 56
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| 131 | Ion_Type1_58 0.758602000 8.571428571 11.428571429 0 # molecule nr 57
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| 132 | Ion_Type1_59 0.758602000 8.571428571 15.294282286 0 # molecule nr 58
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| 133 | Ion_Type1_60 0.758602000 8.571428571 14.285714286 0 # molecule nr 59
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| 134 | Ion_Type1_61 0.758602000 8.571428571 18.151425143 0 # molecule nr 60
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| 135 | Ion_Type1_62 0.758602000 8.571428571 17.142857143 0 # molecule nr 61
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| 136 | Ion_Type1_63 0.758602000 11.428571429 1.008568000 0 # molecule nr 62
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| 137 | Ion_Type1_64 0.758602000 11.428571429 0.000000000 0 # molecule nr 63
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| 138 | Ion_Type1_65 0.758602000 11.428571429 3.865710857 0 # molecule nr 64
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| 139 | Ion_Type1_66 0.758602000 11.428571429 2.857142857 0 # molecule nr 65
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| 140 | Ion_Type1_67 0.758602000 11.428571429 6.722853714 0 # molecule nr 66
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| 141 | Ion_Type1_68 0.758602000 11.428571429 5.714285714 0 # molecule nr 67
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| 142 | Ion_Type1_69 0.758602000 11.428571429 9.579996571 0 # molecule nr 68
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| 143 | Ion_Type1_70 0.758602000 11.428571429 8.571428571 0 # molecule nr 69
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| 144 | Ion_Type1_71 0.758602000 11.428571429 12.437139429 0 # molecule nr 70
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| 145 | Ion_Type1_72 0.758602000 11.428571429 11.428571429 0 # molecule nr 71
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| 146 | Ion_Type1_73 0.758602000 11.428571429 15.294282286 0 # molecule nr 72
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| 147 | Ion_Type1_74 0.758602000 11.428571429 14.285714286 0 # molecule nr 73
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| 148 | Ion_Type1_75 0.758602000 11.428571429 18.151425143 0 # molecule nr 74
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| 149 | Ion_Type1_76 0.758602000 11.428571429 17.142857143 0 # molecule nr 75
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| 150 | Ion_Type1_77 0.758602000 14.285714286 1.008568000 0 # molecule nr 76
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| 151 | Ion_Type1_78 0.758602000 14.285714286 0.000000000 0 # molecule nr 77
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| 152 | Ion_Type1_79 0.758602000 14.285714286 3.865710857 0 # molecule nr 78
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| 153 | Ion_Type1_80 0.758602000 14.285714286 2.857142857 0 # molecule nr 79
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| 154 | Ion_Type1_81 0.758602000 14.285714286 6.722853714 0 # molecule nr 80
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| 155 | Ion_Type1_82 0.758602000 14.285714286 5.714285714 0 # molecule nr 81
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| 156 | Ion_Type1_83 0.758602000 14.285714286 9.579996571 0 # molecule nr 82
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| 157 | Ion_Type1_84 0.758602000 14.285714286 8.571428571 0 # molecule nr 83
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| 158 | Ion_Type1_85 0.758602000 14.285714286 12.437139429 0 # molecule nr 84
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| 159 | Ion_Type1_86 0.758602000 14.285714286 11.428571429 0 # molecule nr 85
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| 160 | Ion_Type1_87 0.758602000 14.285714286 15.294282286 0 # molecule nr 86
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| 161 | Ion_Type1_88 0.758602000 14.285714286 14.285714286 0 # molecule nr 87
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| 162 | Ion_Type1_89 0.758602000 14.285714286 18.151425143 0 # molecule nr 88
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| 163 | Ion_Type1_90 0.758602000 14.285714286 17.142857143 0 # molecule nr 89
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| 164 | Ion_Type1_91 0.758602000 17.142857143 1.008568000 0 # molecule nr 90
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| 165 | Ion_Type1_92 0.758602000 17.142857143 0.000000000 0 # molecule nr 91
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| 166 | Ion_Type1_93 0.758602000 17.142857143 3.865710857 0 # molecule nr 92
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| 167 | Ion_Type1_94 0.758602000 17.142857143 2.857142857 0 # molecule nr 93
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| 168 | Ion_Type1_95 0.758602000 17.142857143 6.722853714 0 # molecule nr 94
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| 169 | Ion_Type1_96 0.758602000 17.142857143 5.714285714 0 # molecule nr 95
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| 170 | Ion_Type1_97 0.758602000 17.142857143 9.579996571 0 # molecule nr 96
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| 171 | Ion_Type1_98 0.758602000 17.142857143 8.571428571 0 # molecule nr 97
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| 172 | Ion_Type1_99 0.758602000 17.142857143 12.437139429 0 # molecule nr 98
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| 173 | Ion_Type1_100 0.758602000 17.142857143 11.428571429 0 # molecule nr 99
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| 174 | Ion_Type1_101 0.758602000 17.142857143 15.294282286 0 # molecule nr 100
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| 175 | Ion_Type1_102 0.758602000 17.142857143 14.285714286 0 # molecule nr 101
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| 176 | Ion_Type1_103 0.758602000 17.142857143 18.151425143 0 # molecule nr 102
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| 177 | Ion_Type1_104 0.758602000 17.142857143 17.142857143 0 # molecule nr 103
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| 178 | Ion_Type1_105 3.615744857 0.000000000 3.865710857 0 # molecule nr 104
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| 179 | Ion_Type1_106 3.615744857 0.000000000 2.857142857 0 # molecule nr 105
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| 180 | Ion_Type1_107 3.615744857 0.000000000 6.722853714 0 # molecule nr 106
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| 181 | Ion_Type1_108 3.615744857 0.000000000 5.714285714 0 # molecule nr 107
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| 182 | Ion_Type1_109 3.615744857 0.000000000 9.579996571 0 # molecule nr 108
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| 183 | Ion_Type1_110 3.615744857 0.000000000 8.571428571 0 # molecule nr 109
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| 184 | Ion_Type1_111 3.615744857 0.000000000 12.437139429 0 # molecule nr 110
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| 185 | Ion_Type1_112 3.615744857 0.000000000 11.428571429 0 # molecule nr 111
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| 186 | Ion_Type1_113 3.615744857 0.000000000 15.294282286 0 # molecule nr 112
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| 187 | Ion_Type1_114 3.615744857 0.000000000 14.285714286 0 # molecule nr 113
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| 188 | Ion_Type1_115 3.615744857 0.000000000 18.151425143 0 # molecule nr 114
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| 189 | Ion_Type1_116 3.615744857 0.000000000 17.142857143 0 # molecule nr 115
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| 190 | Ion_Type1_117 3.615744857 2.857142857 1.008568000 0 # molecule nr 116
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| 191 | Ion_Type1_118 3.615744857 2.857142857 0.000000000 0 # molecule nr 117
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| 192 | Ion_Type1_119 3.615744857 2.857142857 3.865710857 0 # molecule nr 118
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| 193 | Ion_Type1_120 3.615744857 2.857142857 2.857142857 0 # molecule nr 119
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| 194 | Ion_Type1_121 3.615744857 2.857142857 6.722853714 0 # molecule nr 120
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| 195 | Ion_Type1_122 3.615744857 2.857142857 5.714285714 0 # molecule nr 121
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| 196 | Ion_Type1_123 3.615744857 2.857142857 9.579996571 0 # molecule nr 122
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| 197 | Ion_Type1_124 3.615744857 2.857142857 8.571428571 0 # molecule nr 123
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| 198 | Ion_Type1_125 3.615744857 2.857142857 12.437139429 0 # molecule nr 124
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| 199 | Ion_Type1_126 3.615744857 2.857142857 11.428571429 0 # molecule nr 125
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| 200 | Ion_Type1_127 3.615744857 2.857142857 15.294282286 0 # molecule nr 126
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| 201 | Ion_Type1_128 3.615744857 2.857142857 14.285714286 0 # molecule nr 127
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| 202 | Ion_Type1_129 3.615744857 2.857142857 18.151425143 0 # molecule nr 128
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| 203 | Ion_Type1_130 3.615744857 2.857142857 17.142857143 0 # molecule nr 129
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| 204 | Ion_Type1_131 3.615744857 5.714285714 1.008568000 0 # molecule nr 130
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| 205 | Ion_Type1_132 3.615744857 5.714285714 0.000000000 0 # molecule nr 131
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| 206 | Ion_Type1_133 3.615744857 5.714285714 3.865710857 0 # molecule nr 132
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| 207 | Ion_Type1_134 3.615744857 5.714285714 2.857142857 0 # molecule nr 133
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| 208 | Ion_Type1_135 3.615744857 5.714285714 6.722853714 0 # molecule nr 134
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| 209 | Ion_Type1_136 3.615744857 5.714285714 5.714285714 0 # molecule nr 135
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| 210 | Ion_Type1_137 3.615744857 5.714285714 9.579996571 0 # molecule nr 136
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| 211 | Ion_Type1_138 3.615744857 5.714285714 8.571428571 0 # molecule nr 137
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| 212 | Ion_Type1_139 3.615744857 5.714285714 12.437139429 0 # molecule nr 138
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| 213 | Ion_Type1_140 3.615744857 5.714285714 11.428571429 0 # molecule nr 139
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| 214 | Ion_Type1_141 3.615744857 5.714285714 15.294282286 0 # molecule nr 140
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| 215 | Ion_Type1_142 3.615744857 5.714285714 14.285714286 0 # molecule nr 141
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| 216 | Ion_Type1_143 3.615744857 5.714285714 18.151425143 0 # molecule nr 142
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| 217 | Ion_Type1_144 3.615744857 5.714285714 17.142857143 0 # molecule nr 143
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| 218 | Ion_Type1_145 3.615744857 8.571428571 1.008568000 0 # molecule nr 144
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| 219 | Ion_Type1_146 3.615744857 8.571428571 0.000000000 0 # molecule nr 145
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| 220 | Ion_Type1_147 3.615744857 8.571428571 3.865710857 0 # molecule nr 146
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| 221 | Ion_Type1_148 3.615744857 8.571428571 2.857142857 0 # molecule nr 147
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| 222 | Ion_Type1_149 3.615744857 8.571428571 6.722853714 0 # molecule nr 148
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| 223 | Ion_Type1_150 3.615744857 8.571428571 5.714285714 0 # molecule nr 149
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| 224 | Ion_Type1_151 3.615744857 8.571428571 9.579996571 0 # molecule nr 150
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| 225 | Ion_Type1_152 3.615744857 8.571428571 8.571428571 0 # molecule nr 151
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| 226 | Ion_Type1_153 3.615744857 8.571428571 12.437139429 0 # molecule nr 152
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| 227 | Ion_Type1_154 3.615744857 8.571428571 11.428571429 0 # molecule nr 153
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| 228 | Ion_Type1_155 3.615744857 8.571428571 15.294282286 0 # molecule nr 154
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| 229 | Ion_Type1_156 3.615744857 8.571428571 14.285714286 0 # molecule nr 155
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| 230 | Ion_Type1_157 3.615744857 8.571428571 18.151425143 0 # molecule nr 156
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| 231 | Ion_Type1_158 3.615744857 8.571428571 17.142857143 0 # molecule nr 157
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| 232 | Ion_Type1_159 3.615744857 11.428571429 1.008568000 0 # molecule nr 158
|
|---|
| 233 | Ion_Type1_160 3.615744857 11.428571429 0.000000000 0 # molecule nr 159
|
|---|
| 234 | Ion_Type1_161 3.615744857 11.428571429 3.865710857 0 # molecule nr 160
|
|---|
| 235 | Ion_Type1_162 3.615744857 11.428571429 2.857142857 0 # molecule nr 161
|
|---|
| 236 | Ion_Type1_163 3.615744857 11.428571429 6.722853714 0 # molecule nr 162
|
|---|
| 237 | Ion_Type1_164 3.615744857 11.428571429 5.714285714 0 # molecule nr 163
|
|---|
| 238 | Ion_Type1_165 3.615744857 11.428571429 9.579996571 0 # molecule nr 164
|
|---|
| 239 | Ion_Type1_166 3.615744857 11.428571429 8.571428571 0 # molecule nr 165
|
|---|
| 240 | Ion_Type1_167 3.615744857 11.428571429 12.437139429 0 # molecule nr 166
|
|---|
| 241 | Ion_Type1_168 3.615744857 11.428571429 11.428571429 0 # molecule nr 167
|
|---|
| 242 | Ion_Type1_169 3.615744857 11.428571429 15.294282286 0 # molecule nr 168
|
|---|
| 243 | Ion_Type1_170 3.615744857 11.428571429 14.285714286 0 # molecule nr 169
|
|---|
| 244 | Ion_Type1_171 3.615744857 11.428571429 18.151425143 0 # molecule nr 170
|
|---|
| 245 | Ion_Type1_172 3.615744857 11.428571429 17.142857143 0 # molecule nr 171
|
|---|
| 246 | Ion_Type1_173 3.615744857 14.285714286 1.008568000 0 # molecule nr 172
|
|---|
| 247 | Ion_Type1_174 3.615744857 14.285714286 0.000000000 0 # molecule nr 173
|
|---|
| 248 | Ion_Type1_175 3.615744857 14.285714286 3.865710857 0 # molecule nr 174
|
|---|
| 249 | Ion_Type1_176 3.615744857 14.285714286 2.857142857 0 # molecule nr 175
|
|---|
| 250 | Ion_Type1_177 3.615744857 14.285714286 6.722853714 0 # molecule nr 176
|
|---|
| 251 | Ion_Type1_178 3.615744857 14.285714286 5.714285714 0 # molecule nr 177
|
|---|
| 252 | Ion_Type1_179 3.615744857 14.285714286 9.579996571 0 # molecule nr 178
|
|---|
| 253 | Ion_Type1_180 3.615744857 14.285714286 8.571428571 0 # molecule nr 179
|
|---|
| 254 | Ion_Type1_181 3.615744857 14.285714286 12.437139429 0 # molecule nr 180
|
|---|
| 255 | Ion_Type1_182 3.615744857 14.285714286 11.428571429 0 # molecule nr 181
|
|---|
| 256 | Ion_Type1_183 3.615744857 14.285714286 15.294282286 0 # molecule nr 182
|
|---|
| 257 | Ion_Type1_184 3.615744857 14.285714286 14.285714286 0 # molecule nr 183
|
|---|
| 258 | Ion_Type1_185 3.615744857 14.285714286 18.151425143 0 # molecule nr 184
|
|---|
| 259 | Ion_Type1_186 3.615744857 14.285714286 17.142857143 0 # molecule nr 185
|
|---|
| 260 | Ion_Type1_187 3.615744857 17.142857143 1.008568000 0 # molecule nr 186
|
|---|
| 261 | Ion_Type1_188 3.615744857 17.142857143 0.000000000 0 # molecule nr 187
|
|---|
| 262 | Ion_Type1_189 3.615744857 17.142857143 3.865710857 0 # molecule nr 188
|
|---|
| 263 | Ion_Type1_190 3.615744857 17.142857143 2.857142857 0 # molecule nr 189
|
|---|
| 264 | Ion_Type1_191 3.615744857 17.142857143 6.722853714 0 # molecule nr 190
|
|---|
| 265 | Ion_Type1_192 3.615744857 17.142857143 5.714285714 0 # molecule nr 191
|
|---|
| 266 | Ion_Type1_193 3.615744857 17.142857143 9.579996571 0 # molecule nr 192
|
|---|
| 267 | Ion_Type1_194 3.615744857 17.142857143 8.571428571 0 # molecule nr 193
|
|---|
| 268 | Ion_Type1_195 3.615744857 17.142857143 12.437139429 0 # molecule nr 194
|
|---|
| 269 | Ion_Type1_196 3.615744857 17.142857143 11.428571429 0 # molecule nr 195
|
|---|
| 270 | Ion_Type1_197 3.615744857 17.142857143 15.294282286 0 # molecule nr 196
|
|---|
| 271 | Ion_Type1_198 3.615744857 17.142857143 14.285714286 0 # molecule nr 197
|
|---|
| 272 | Ion_Type1_199 3.615744857 17.142857143 18.151425143 0 # molecule nr 198
|
|---|
| 273 | Ion_Type1_200 3.615744857 17.142857143 17.142857143 0 # molecule nr 199
|
|---|
| 274 | Ion_Type1_201 6.472887714 0.000000000 1.008568000 0 # molecule nr 200
|
|---|
| 275 | Ion_Type1_202 6.472887714 0.000000000 0.000000000 0 # molecule nr 201
|
|---|
| 276 | Ion_Type1_203 6.472887714 0.000000000 3.865710857 0 # molecule nr 202
|
|---|
| 277 | Ion_Type1_204 6.472887714 0.000000000 2.857142857 0 # molecule nr 203
|
|---|
| 278 | Ion_Type1_205 6.472887714 0.000000000 6.722853714 0 # molecule nr 204
|
|---|
| 279 | Ion_Type1_206 6.472887714 0.000000000 5.714285714 0 # molecule nr 205
|
|---|
| 280 | Ion_Type1_207 6.472887714 0.000000000 9.579996571 0 # molecule nr 206
|
|---|
| 281 | Ion_Type1_208 6.472887714 0.000000000 8.571428571 0 # molecule nr 207
|
|---|
| 282 | Ion_Type1_209 6.472887714 0.000000000 12.437139429 0 # molecule nr 208
|
|---|
| 283 | Ion_Type1_210 6.472887714 0.000000000 11.428571429 0 # molecule nr 209
|
|---|
| 284 | Ion_Type1_211 6.472887714 0.000000000 15.294282286 0 # molecule nr 210
|
|---|
| 285 | Ion_Type1_212 6.472887714 0.000000000 14.285714286 0 # molecule nr 211
|
|---|
| 286 | Ion_Type1_213 6.472887714 0.000000000 18.151425143 0 # molecule nr 212
|
|---|
| 287 | Ion_Type1_214 6.472887714 0.000000000 17.142857143 0 # molecule nr 213
|
|---|
| 288 | Ion_Type1_215 6.472887714 2.857142857 1.008568000 0 # molecule nr 214
|
|---|
| 289 | Ion_Type1_216 6.472887714 2.857142857 0.000000000 0 # molecule nr 215
|
|---|
| 290 | Ion_Type1_217 6.472887714 2.857142857 9.579996571 0 # molecule nr 216
|
|---|
| 291 | Ion_Type1_218 6.472887714 2.857142857 8.571428571 0 # molecule nr 217
|
|---|
| 292 | Ion_Type1_219 6.472887714 2.857142857 12.437139429 0 # molecule nr 218
|
|---|
| 293 | Ion_Type1_220 6.472887714 2.857142857 11.428571429 0 # molecule nr 219
|
|---|
| 294 | Ion_Type1_221 6.472887714 2.857142857 15.294282286 0 # molecule nr 220
|
|---|
| 295 | Ion_Type1_222 6.472887714 2.857142857 14.285714286 0 # molecule nr 221
|
|---|
| 296 | Ion_Type1_223 6.472887714 2.857142857 18.151425143 0 # molecule nr 222
|
|---|
| 297 | Ion_Type1_224 6.472887714 2.857142857 17.142857143 0 # molecule nr 223
|
|---|
| 298 | Ion_Type1_225 6.472887714 5.714285714 1.008568000 0 # molecule nr 224
|
|---|
| 299 | Ion_Type1_226 6.472887714 5.714285714 0.000000000 0 # molecule nr 225
|
|---|
| 300 | Ion_Type1_227 6.472887714 5.714285714 6.722853714 0 # molecule nr 226
|
|---|
| 301 | Ion_Type1_228 6.472887714 5.714285714 5.714285714 0 # molecule nr 227
|
|---|
| 302 | Ion_Type1_229 6.472887714 5.714285714 9.579996571 0 # molecule nr 228
|
|---|
| 303 | Ion_Type1_230 6.472887714 5.714285714 8.571428571 0 # molecule nr 229
|
|---|
| 304 | Ion_Type1_231 6.472887714 5.714285714 12.437139429 0 # molecule nr 230
|
|---|
| 305 | Ion_Type1_232 6.472887714 5.714285714 11.428571429 0 # molecule nr 231
|
|---|
| 306 | Ion_Type1_233 6.472887714 5.714285714 15.294282286 0 # molecule nr 232
|
|---|
| 307 | Ion_Type1_234 6.472887714 5.714285714 14.285714286 0 # molecule nr 233
|
|---|
| 308 | Ion_Type1_235 6.472887714 5.714285714 18.151425143 0 # molecule nr 234
|
|---|
| 309 | Ion_Type1_236 6.472887714 5.714285714 17.142857143 0 # molecule nr 235
|
|---|
| 310 | Ion_Type1_237 6.472887714 8.571428571 1.008568000 0 # molecule nr 236
|
|---|
| 311 | Ion_Type1_238 6.472887714 8.571428571 0.000000000 0 # molecule nr 237
|
|---|
| 312 | Ion_Type1_239 6.472887714 8.571428571 3.865710857 0 # molecule nr 238
|
|---|
| 313 | Ion_Type1_240 6.472887714 8.571428571 2.857142857 0 # molecule nr 239
|
|---|
| 314 | Ion_Type1_241 6.472887714 8.571428571 6.722853714 0 # molecule nr 240
|
|---|
| 315 | Ion_Type1_242 6.472887714 8.571428571 5.714285714 0 # molecule nr 241
|
|---|
| 316 | Ion_Type1_243 6.472887714 8.571428571 9.579996571 0 # molecule nr 242
|
|---|
| 317 | Ion_Type1_244 6.472887714 8.571428571 8.571428571 0 # molecule nr 243
|
|---|
| 318 | Ion_Type1_245 6.472887714 8.571428571 12.437139429 0 # molecule nr 244
|
|---|
| 319 | Ion_Type1_246 6.472887714 8.571428571 11.428571429 0 # molecule nr 245
|
|---|
| 320 | Ion_Type1_247 6.472887714 8.571428571 15.294282286 0 # molecule nr 246
|
|---|
| 321 | Ion_Type1_248 6.472887714 8.571428571 14.285714286 0 # molecule nr 247
|
|---|
| 322 | Ion_Type1_249 6.472887714 8.571428571 18.151425143 0 # molecule nr 248
|
|---|
| 323 | Ion_Type1_250 6.472887714 8.571428571 17.142857143 0 # molecule nr 249
|
|---|
| 324 | Ion_Type1_251 6.472887714 11.428571429 1.008568000 0 # molecule nr 250
|
|---|
| 325 | Ion_Type1_252 6.472887714 11.428571429 0.000000000 0 # molecule nr 251
|
|---|
| 326 | Ion_Type1_253 6.472887714 11.428571429 3.865710857 0 # molecule nr 252
|
|---|
| 327 | Ion_Type1_254 6.472887714 11.428571429 2.857142857 0 # molecule nr 253
|
|---|
| 328 | Ion_Type1_255 6.472887714 11.428571429 6.722853714 0 # molecule nr 254
|
|---|
| 329 | Ion_Type1_256 6.472887714 11.428571429 5.714285714 0 # molecule nr 255
|
|---|
| 330 | Ion_Type1_257 6.472887714 11.428571429 9.579996571 0 # molecule nr 256
|
|---|
| 331 | Ion_Type1_258 6.472887714 11.428571429 8.571428571 0 # molecule nr 257
|
|---|
| 332 | Ion_Type1_259 6.472887714 11.428571429 12.437139429 0 # molecule nr 258
|
|---|
| 333 | Ion_Type1_260 6.472887714 11.428571429 11.428571429 0 # molecule nr 259
|
|---|
| 334 | Ion_Type1_261 6.472887714 11.428571429 15.294282286 0 # molecule nr 260
|
|---|
| 335 | Ion_Type1_262 6.472887714 11.428571429 14.285714286 0 # molecule nr 261
|
|---|
| 336 | Ion_Type1_263 6.472887714 11.428571429 18.151425143 0 # molecule nr 262
|
|---|
| 337 | Ion_Type1_264 6.472887714 11.428571429 17.142857143 0 # molecule nr 263
|
|---|
| 338 | Ion_Type1_265 6.472887714 14.285714286 1.008568000 0 # molecule nr 264
|
|---|
| 339 | Ion_Type1_266 6.472887714 14.285714286 0.000000000 0 # molecule nr 265
|
|---|
| 340 | Ion_Type1_267 6.472887714 14.285714286 3.865710857 0 # molecule nr 266
|
|---|
| 341 | Ion_Type1_268 6.472887714 14.285714286 2.857142857 0 # molecule nr 267
|
|---|
| 342 | Ion_Type1_269 6.472887714 14.285714286 6.722853714 0 # molecule nr 268
|
|---|
| 343 | Ion_Type1_270 6.472887714 14.285714286 5.714285714 0 # molecule nr 269
|
|---|
| 344 | Ion_Type1_271 6.472887714 14.285714286 9.579996571 0 # molecule nr 270
|
|---|
| 345 | Ion_Type1_272 6.472887714 14.285714286 8.571428571 0 # molecule nr 271
|
|---|
| 346 | Ion_Type1_273 6.472887714 14.285714286 12.437139429 0 # molecule nr 272
|
|---|
| 347 | Ion_Type1_274 6.472887714 14.285714286 11.428571429 0 # molecule nr 273
|
|---|
| 348 | Ion_Type1_275 6.472887714 14.285714286 15.294282286 0 # molecule nr 274
|
|---|
| 349 | Ion_Type1_276 6.472887714 14.285714286 14.285714286 0 # molecule nr 275
|
|---|
| 350 | Ion_Type1_277 6.472887714 14.285714286 18.151425143 0 # molecule nr 276
|
|---|
| 351 | Ion_Type1_278 6.472887714 14.285714286 17.142857143 0 # molecule nr 277
|
|---|
| 352 | Ion_Type1_279 6.472887714 17.142857143 1.008568000 0 # molecule nr 278
|
|---|
| 353 | Ion_Type1_280 6.472887714 17.142857143 0.000000000 0 # molecule nr 279
|
|---|
| 354 | Ion_Type1_281 6.472887714 17.142857143 3.865710857 0 # molecule nr 280
|
|---|
| 355 | Ion_Type1_282 6.472887714 17.142857143 2.857142857 0 # molecule nr 281
|
|---|
| 356 | Ion_Type1_283 6.472887714 17.142857143 6.722853714 0 # molecule nr 282
|
|---|
| 357 | Ion_Type1_284 6.472887714 17.142857143 5.714285714 0 # molecule nr 283
|
|---|
| 358 | Ion_Type1_285 6.472887714 17.142857143 9.579996571 0 # molecule nr 284
|
|---|
| 359 | Ion_Type1_286 6.472887714 17.142857143 8.571428571 0 # molecule nr 285
|
|---|
| 360 | Ion_Type1_287 6.472887714 17.142857143 12.437139429 0 # molecule nr 286
|
|---|
| 361 | Ion_Type1_288 6.472887714 17.142857143 11.428571429 0 # molecule nr 287
|
|---|
| 362 | Ion_Type1_289 6.472887714 17.142857143 15.294282286 0 # molecule nr 288
|
|---|
| 363 | Ion_Type1_290 6.472887714 17.142857143 14.285714286 0 # molecule nr 289
|
|---|
| 364 | Ion_Type1_291 6.472887714 17.142857143 18.151425143 0 # molecule nr 290
|
|---|
| 365 | Ion_Type1_292 6.472887714 17.142857143 17.142857143 0 # molecule nr 291
|
|---|
| 366 | Ion_Type1_293 9.330030571 0.000000000 1.008568000 0 # molecule nr 292
|
|---|
| 367 | Ion_Type1_294 9.330030571 0.000000000 0.000000000 0 # molecule nr 293
|
|---|
| 368 | Ion_Type1_295 9.330030571 0.000000000 3.865710857 0 # molecule nr 294
|
|---|
| 369 | Ion_Type1_296 9.330030571 0.000000000 2.857142857 0 # molecule nr 295
|
|---|
| 370 | Ion_Type1_297 9.330030571 0.000000000 6.722853714 0 # molecule nr 296
|
|---|
| 371 | Ion_Type1_298 9.330030571 0.000000000 5.714285714 0 # molecule nr 297
|
|---|
| 372 | Ion_Type1_299 9.330030571 0.000000000 9.579996571 0 # molecule nr 298
|
|---|
| 373 | Ion_Type1_300 9.330030571 0.000000000 8.571428571 0 # molecule nr 299
|
|---|
| 374 | Ion_Type1_301 9.330030571 0.000000000 12.437139429 0 # molecule nr 300
|
|---|
| 375 | Ion_Type1_302 9.330030571 0.000000000 11.428571429 0 # molecule nr 301
|
|---|
| 376 | Ion_Type1_303 9.330030571 0.000000000 15.294282286 0 # molecule nr 302
|
|---|
| 377 | Ion_Type1_304 9.330030571 0.000000000 14.285714286 0 # molecule nr 303
|
|---|
| 378 | Ion_Type1_305 9.330030571 0.000000000 18.151425143 0 # molecule nr 304
|
|---|
| 379 | Ion_Type1_306 9.330030571 0.000000000 17.142857143 0 # molecule nr 305
|
|---|
| 380 | Ion_Type1_307 9.330030571 2.857142857 1.008568000 0 # molecule nr 306
|
|---|
| 381 | Ion_Type1_308 9.330030571 2.857142857 0.000000000 0 # molecule nr 307
|
|---|
| 382 | Ion_Type1_309 9.330030571 2.857142857 9.579996571 0 # molecule nr 308
|
|---|
| 383 | Ion_Type1_310 9.330030571 2.857142857 8.571428571 0 # molecule nr 309
|
|---|
| 384 | Ion_Type1_311 9.330030571 2.857142857 12.437139429 0 # molecule nr 310
|
|---|
| 385 | Ion_Type1_312 9.330030571 2.857142857 11.428571429 0 # molecule nr 311
|
|---|
| 386 | Ion_Type1_313 9.330030571 2.857142857 15.294282286 0 # molecule nr 312
|
|---|
| 387 | Ion_Type1_314 9.330030571 2.857142857 14.285714286 0 # molecule nr 313
|
|---|
| 388 | Ion_Type1_315 9.330030571 2.857142857 18.151425143 0 # molecule nr 314
|
|---|
| 389 | Ion_Type1_316 9.330030571 2.857142857 17.142857143 0 # molecule nr 315
|
|---|
| 390 | Ion_Type1_317 9.330030571 5.714285714 1.008568000 0 # molecule nr 316
|
|---|
| 391 | Ion_Type1_318 9.330030571 5.714285714 0.000000000 0 # molecule nr 317
|
|---|
| 392 | Ion_Type1_319 9.330030571 5.714285714 9.579996571 0 # molecule nr 318
|
|---|
| 393 | Ion_Type1_320 9.330030571 5.714285714 8.571428571 0 # molecule nr 319
|
|---|
| 394 | Ion_Type1_321 9.330030571 5.714285714 12.437139429 0 # molecule nr 320
|
|---|
| 395 | Ion_Type1_322 9.330030571 5.714285714 11.428571429 0 # molecule nr 321
|
|---|
| 396 | Ion_Type1_323 9.330030571 5.714285714 15.294282286 0 # molecule nr 322
|
|---|
| 397 | Ion_Type1_324 9.330030571 5.714285714 14.285714286 0 # molecule nr 323
|
|---|
| 398 | Ion_Type1_325 9.330030571 5.714285714 18.151425143 0 # molecule nr 324
|
|---|
| 399 | Ion_Type1_326 9.330030571 5.714285714 17.142857143 0 # molecule nr 325
|
|---|
| 400 | Ion_Type1_327 9.330030571 8.571428571 1.008568000 0 # molecule nr 326
|
|---|
| 401 | Ion_Type1_328 9.330030571 8.571428571 0.000000000 0 # molecule nr 327
|
|---|
| 402 | Ion_Type1_329 9.330030571 8.571428571 3.865710857 0 # molecule nr 328
|
|---|
| 403 | Ion_Type1_330 9.330030571 8.571428571 2.857142857 0 # molecule nr 329
|
|---|
| 404 | Ion_Type1_331 9.330030571 8.571428571 6.722853714 0 # molecule nr 330
|
|---|
| 405 | Ion_Type1_332 9.330030571 8.571428571 5.714285714 0 # molecule nr 331
|
|---|
| 406 | Ion_Type1_333 9.330030571 8.571428571 9.579996571 0 # molecule nr 332
|
|---|
| 407 | Ion_Type1_334 9.330030571 8.571428571 8.571428571 0 # molecule nr 333
|
|---|
| 408 | Ion_Type1_335 9.330030571 8.571428571 12.437139429 0 # molecule nr 334
|
|---|
| 409 | Ion_Type1_336 9.330030571 8.571428571 11.428571429 0 # molecule nr 335
|
|---|
| 410 | Ion_Type1_337 9.330030571 8.571428571 15.294282286 0 # molecule nr 336
|
|---|
| 411 | Ion_Type1_338 9.330030571 8.571428571 14.285714286 0 # molecule nr 337
|
|---|
| 412 | Ion_Type1_339 9.330030571 8.571428571 18.151425143 0 # molecule nr 338
|
|---|
| 413 | Ion_Type1_340 9.330030571 8.571428571 17.142857143 0 # molecule nr 339
|
|---|
| 414 | Ion_Type1_341 9.330030571 11.428571429 1.008568000 0 # molecule nr 340
|
|---|
| 415 | Ion_Type1_342 9.330030571 11.428571429 0.000000000 0 # molecule nr 341
|
|---|
| 416 | Ion_Type1_343 9.330030571 11.428571429 3.865710857 0 # molecule nr 342
|
|---|
| 417 | Ion_Type1_344 9.330030571 11.428571429 2.857142857 0 # molecule nr 343
|
|---|
| 418 | Ion_Type1_345 9.330030571 11.428571429 6.722853714 0 # molecule nr 344
|
|---|
| 419 | Ion_Type1_346 9.330030571 11.428571429 5.714285714 0 # molecule nr 345
|
|---|
| 420 | Ion_Type1_347 9.330030571 11.428571429 9.579996571 0 # molecule nr 346
|
|---|
| 421 | Ion_Type1_348 9.330030571 11.428571429 8.571428571 0 # molecule nr 347
|
|---|
| 422 | Ion_Type1_349 9.330030571 11.428571429 12.437139429 0 # molecule nr 348
|
|---|
| 423 | Ion_Type1_350 9.330030571 11.428571429 11.428571429 0 # molecule nr 349
|
|---|
| 424 | Ion_Type1_351 9.330030571 11.428571429 15.294282286 0 # molecule nr 350
|
|---|
| 425 | Ion_Type1_352 9.330030571 11.428571429 14.285714286 0 # molecule nr 351
|
|---|
| 426 | Ion_Type1_353 9.330030571 11.428571429 18.151425143 0 # molecule nr 352
|
|---|
| 427 | Ion_Type1_354 9.330030571 11.428571429 17.142857143 0 # molecule nr 353
|
|---|
| 428 | Ion_Type1_355 9.330030571 14.285714286 1.008568000 0 # molecule nr 354
|
|---|
| 429 | Ion_Type1_356 9.330030571 14.285714286 0.000000000 0 # molecule nr 355
|
|---|
| 430 | Ion_Type1_357 9.330030571 14.285714286 3.865710857 0 # molecule nr 356
|
|---|
| 431 | Ion_Type1_358 9.330030571 14.285714286 2.857142857 0 # molecule nr 357
|
|---|
| 432 | Ion_Type1_359 9.330030571 14.285714286 6.722853714 0 # molecule nr 358
|
|---|
| 433 | Ion_Type1_360 9.330030571 14.285714286 5.714285714 0 # molecule nr 359
|
|---|
| 434 | Ion_Type1_361 9.330030571 14.285714286 9.579996571 0 # molecule nr 360
|
|---|
| 435 | Ion_Type1_362 9.330030571 14.285714286 8.571428571 0 # molecule nr 361
|
|---|
| 436 | Ion_Type1_363 9.330030571 14.285714286 12.437139429 0 # molecule nr 362
|
|---|
| 437 | Ion_Type1_364 9.330030571 14.285714286 11.428571429 0 # molecule nr 363
|
|---|
| 438 | Ion_Type1_365 9.330030571 14.285714286 15.294282286 0 # molecule nr 364
|
|---|
| 439 | Ion_Type1_366 9.330030571 14.285714286 14.285714286 0 # molecule nr 365
|
|---|
| 440 | Ion_Type1_367 9.330030571 14.285714286 18.151425143 0 # molecule nr 366
|
|---|
| 441 | Ion_Type1_368 9.330030571 14.285714286 17.142857143 0 # molecule nr 367
|
|---|
| 442 | Ion_Type1_369 9.330030571 17.142857143 1.008568000 0 # molecule nr 368
|
|---|
| 443 | Ion_Type1_370 9.330030571 17.142857143 0.000000000 0 # molecule nr 369
|
|---|
| 444 | Ion_Type1_371 9.330030571 17.142857143 3.865710857 0 # molecule nr 370
|
|---|
| 445 | Ion_Type1_372 9.330030571 17.142857143 2.857142857 0 # molecule nr 371
|
|---|
| 446 | Ion_Type1_373 9.330030571 17.142857143 6.722853714 0 # molecule nr 372
|
|---|
| 447 | Ion_Type1_374 9.330030571 17.142857143 5.714285714 0 # molecule nr 373
|
|---|
| 448 | Ion_Type1_375 9.330030571 17.142857143 9.579996571 0 # molecule nr 374
|
|---|
| 449 | Ion_Type1_376 9.330030571 17.142857143 8.571428571 0 # molecule nr 375
|
|---|
| 450 | Ion_Type1_377 9.330030571 17.142857143 12.437139429 0 # molecule nr 376
|
|---|
| 451 | Ion_Type1_378 9.330030571 17.142857143 11.428571429 0 # molecule nr 377
|
|---|
| 452 | Ion_Type1_379 9.330030571 17.142857143 15.294282286 0 # molecule nr 378
|
|---|
| 453 | Ion_Type1_380 9.330030571 17.142857143 14.285714286 0 # molecule nr 379
|
|---|
| 454 | Ion_Type1_381 9.330030571 17.142857143 18.151425143 0 # molecule nr 380
|
|---|
| 455 | Ion_Type1_382 9.330030571 17.142857143 17.142857143 0 # molecule nr 381
|
|---|
| 456 | Ion_Type1_383 12.187173429 0.000000000 1.008568000 0 # molecule nr 382
|
|---|
| 457 | Ion_Type1_384 12.187173429 0.000000000 0.000000000 0 # molecule nr 383
|
|---|
| 458 | Ion_Type1_385 12.187173429 0.000000000 3.865710857 0 # molecule nr 384
|
|---|
| 459 | Ion_Type1_386 12.187173429 0.000000000 2.857142857 0 # molecule nr 385
|
|---|
| 460 | Ion_Type1_387 12.187173429 0.000000000 6.722853714 0 # molecule nr 386
|
|---|
| 461 | Ion_Type1_388 12.187173429 0.000000000 5.714285714 0 # molecule nr 387
|
|---|
| 462 | Ion_Type1_389 12.187173429 0.000000000 9.579996571 0 # molecule nr 388
|
|---|
| 463 | Ion_Type1_390 12.187173429 0.000000000 8.571428571 0 # molecule nr 389
|
|---|
| 464 | Ion_Type1_391 12.187173429 0.000000000 12.437139429 0 # molecule nr 390
|
|---|
| 465 | Ion_Type1_392 12.187173429 0.000000000 11.428571429 0 # molecule nr 391
|
|---|
| 466 | Ion_Type1_393 12.187173429 0.000000000 15.294282286 0 # molecule nr 392
|
|---|
| 467 | Ion_Type1_394 12.187173429 0.000000000 14.285714286 0 # molecule nr 393
|
|---|
| 468 | Ion_Type1_395 12.187173429 0.000000000 18.151425143 0 # molecule nr 394
|
|---|
| 469 | Ion_Type1_396 12.187173429 0.000000000 17.142857143 0 # molecule nr 395
|
|---|
| 470 | Ion_Type1_397 12.187173429 2.857142857 1.008568000 0 # molecule nr 396
|
|---|
| 471 | Ion_Type1_398 12.187173429 2.857142857 0.000000000 0 # molecule nr 397
|
|---|
| 472 | Ion_Type1_399 12.187173429 2.857142857 6.722853714 0 # molecule nr 398
|
|---|
| 473 | Ion_Type1_400 12.187173429 2.857142857 5.714285714 0 # molecule nr 399
|
|---|
| 474 | Ion_Type1_401 12.187173429 2.857142857 9.579996571 0 # molecule nr 400
|
|---|
| 475 | Ion_Type1_402 12.187173429 2.857142857 8.571428571 0 # molecule nr 401
|
|---|
| 476 | Ion_Type1_403 12.187173429 2.857142857 12.437139429 0 # molecule nr 402
|
|---|
| 477 | Ion_Type1_404 12.187173429 2.857142857 11.428571429 0 # molecule nr 403
|
|---|
| 478 | Ion_Type1_405 12.187173429 2.857142857 15.294282286 0 # molecule nr 404
|
|---|
| 479 | Ion_Type1_406 12.187173429 2.857142857 14.285714286 0 # molecule nr 405
|
|---|
| 480 | Ion_Type1_407 12.187173429 2.857142857 18.151425143 0 # molecule nr 406
|
|---|
| 481 | Ion_Type1_408 12.187173429 2.857142857 17.142857143 0 # molecule nr 407
|
|---|
| 482 | Ion_Type1_409 12.187173429 5.714285714 1.008568000 0 # molecule nr 408
|
|---|
| 483 | Ion_Type1_410 12.187173429 5.714285714 0.000000000 0 # molecule nr 409
|
|---|
| 484 | Ion_Type1_411 12.187173429 5.714285714 6.722853714 0 # molecule nr 410
|
|---|
| 485 | Ion_Type1_412 12.187173429 5.714285714 5.714285714 0 # molecule nr 411
|
|---|
| 486 | Ion_Type1_413 12.187173429 5.714285714 9.579996571 0 # molecule nr 412
|
|---|
| 487 | Ion_Type1_414 12.187173429 5.714285714 8.571428571 0 # molecule nr 413
|
|---|
| 488 | Ion_Type1_415 12.187173429 5.714285714 12.437139429 0 # molecule nr 414
|
|---|
| 489 | Ion_Type1_416 12.187173429 5.714285714 11.428571429 0 # molecule nr 415
|
|---|
| 490 | Ion_Type1_417 12.187173429 5.714285714 15.294282286 0 # molecule nr 416
|
|---|
| 491 | Ion_Type1_418 12.187173429 5.714285714 14.285714286 0 # molecule nr 417
|
|---|
| 492 | Ion_Type1_419 12.187173429 5.714285714 18.151425143 0 # molecule nr 418
|
|---|
| 493 | Ion_Type1_420 12.187173429 5.714285714 17.142857143 0 # molecule nr 419
|
|---|
| 494 | Ion_Type1_421 12.187173429 8.571428571 1.008568000 0 # molecule nr 420
|
|---|
| 495 | Ion_Type1_422 12.187173429 8.571428571 0.000000000 0 # molecule nr 421
|
|---|
| 496 | Ion_Type1_423 12.187173429 8.571428571 3.865710857 0 # molecule nr 422
|
|---|
| 497 | Ion_Type1_424 12.187173429 8.571428571 2.857142857 0 # molecule nr 423
|
|---|
| 498 | Ion_Type1_425 12.187173429 8.571428571 6.722853714 0 # molecule nr 424
|
|---|
| 499 | Ion_Type1_426 12.187173429 8.571428571 5.714285714 0 # molecule nr 425
|
|---|
| 500 | Ion_Type1_427 12.187173429 8.571428571 9.579996571 0 # molecule nr 426
|
|---|
| 501 | Ion_Type1_428 12.187173429 8.571428571 8.571428571 0 # molecule nr 427
|
|---|
| 502 | Ion_Type1_429 12.187173429 8.571428571 12.437139429 0 # molecule nr 428
|
|---|
| 503 | Ion_Type1_430 12.187173429 8.571428571 11.428571429 0 # molecule nr 429
|
|---|
| 504 | Ion_Type1_431 12.187173429 8.571428571 15.294282286 0 # molecule nr 430
|
|---|
| 505 | Ion_Type1_432 12.187173429 8.571428571 14.285714286 0 # molecule nr 431
|
|---|
| 506 | Ion_Type1_433 12.187173429 8.571428571 18.151425143 0 # molecule nr 432
|
|---|
| 507 | Ion_Type1_434 12.187173429 8.571428571 17.142857143 0 # molecule nr 433
|
|---|
| 508 | Ion_Type1_435 12.187173429 11.428571429 1.008568000 0 # molecule nr 434
|
|---|
| 509 | Ion_Type1_436 12.187173429 11.428571429 0.000000000 0 # molecule nr 435
|
|---|
| 510 | Ion_Type1_437 12.187173429 11.428571429 3.865710857 0 # molecule nr 436
|
|---|
| 511 | Ion_Type1_438 12.187173429 11.428571429 2.857142857 0 # molecule nr 437
|
|---|
| 512 | Ion_Type1_439 12.187173429 11.428571429 6.722853714 0 # molecule nr 438
|
|---|
| 513 | Ion_Type1_440 12.187173429 11.428571429 5.714285714 0 # molecule nr 439
|
|---|
| 514 | Ion_Type1_441 12.187173429 11.428571429 9.579996571 0 # molecule nr 440
|
|---|
| 515 | Ion_Type1_442 12.187173429 11.428571429 8.571428571 0 # molecule nr 441
|
|---|
| 516 | Ion_Type1_443 12.187173429 11.428571429 12.437139429 0 # molecule nr 442
|
|---|
| 517 | Ion_Type1_444 12.187173429 11.428571429 11.428571429 0 # molecule nr 443
|
|---|
| 518 | Ion_Type1_445 12.187173429 11.428571429 15.294282286 0 # molecule nr 444
|
|---|
| 519 | Ion_Type1_446 12.187173429 11.428571429 14.285714286 0 # molecule nr 445
|
|---|
| 520 | Ion_Type1_447 12.187173429 11.428571429 18.151425143 0 # molecule nr 446
|
|---|
| 521 | Ion_Type1_448 12.187173429 11.428571429 17.142857143 0 # molecule nr 447
|
|---|
| 522 | Ion_Type1_449 12.187173429 14.285714286 1.008568000 0 # molecule nr 448
|
|---|
| 523 | Ion_Type1_450 12.187173429 14.285714286 0.000000000 0 # molecule nr 449
|
|---|
| 524 | Ion_Type1_451 12.187173429 14.285714286 3.865710857 0 # molecule nr 450
|
|---|
| 525 | Ion_Type1_452 12.187173429 14.285714286 2.857142857 0 # molecule nr 451
|
|---|
| 526 | Ion_Type1_453 12.187173429 14.285714286 6.722853714 0 # molecule nr 452
|
|---|
| 527 | Ion_Type1_454 12.187173429 14.285714286 5.714285714 0 # molecule nr 453
|
|---|
| 528 | Ion_Type1_455 12.187173429 14.285714286 9.579996571 0 # molecule nr 454
|
|---|
| 529 | Ion_Type1_456 12.187173429 14.285714286 8.571428571 0 # molecule nr 455
|
|---|
| 530 | Ion_Type1_457 12.187173429 14.285714286 12.437139429 0 # molecule nr 456
|
|---|
| 531 | Ion_Type1_458 12.187173429 14.285714286 11.428571429 0 # molecule nr 457
|
|---|
| 532 | Ion_Type1_459 12.187173429 14.285714286 15.294282286 0 # molecule nr 458
|
|---|
| 533 | Ion_Type1_460 12.187173429 14.285714286 14.285714286 0 # molecule nr 459
|
|---|
| 534 | Ion_Type1_461 12.187173429 14.285714286 18.151425143 0 # molecule nr 460
|
|---|
| 535 | Ion_Type1_462 12.187173429 14.285714286 17.142857143 0 # molecule nr 461
|
|---|
| 536 | Ion_Type1_463 12.187173429 17.142857143 1.008568000 0 # molecule nr 462
|
|---|
| 537 | Ion_Type1_464 12.187173429 17.142857143 0.000000000 0 # molecule nr 463
|
|---|
| 538 | Ion_Type1_465 12.187173429 17.142857143 3.865710857 0 # molecule nr 464
|
|---|
| 539 | Ion_Type1_466 12.187173429 17.142857143 2.857142857 0 # molecule nr 465
|
|---|
| 540 | Ion_Type1_467 12.187173429 17.142857143 6.722853714 0 # molecule nr 466
|
|---|
| 541 | Ion_Type1_468 12.187173429 17.142857143 5.714285714 0 # molecule nr 467
|
|---|
| 542 | Ion_Type1_469 12.187173429 17.142857143 9.579996571 0 # molecule nr 468
|
|---|
| 543 | Ion_Type1_470 12.187173429 17.142857143 8.571428571 0 # molecule nr 469
|
|---|
| 544 | Ion_Type1_471 12.187173429 17.142857143 12.437139429 0 # molecule nr 470
|
|---|
| 545 | Ion_Type1_472 12.187173429 17.142857143 11.428571429 0 # molecule nr 471
|
|---|
| 546 | Ion_Type1_473 12.187173429 17.142857143 15.294282286 0 # molecule nr 472
|
|---|
| 547 | Ion_Type1_474 12.187173429 17.142857143 14.285714286 0 # molecule nr 473
|
|---|
| 548 | Ion_Type1_475 12.187173429 17.142857143 18.151425143 0 # molecule nr 474
|
|---|
| 549 | Ion_Type1_476 12.187173429 17.142857143 17.142857143 0 # molecule nr 475
|
|---|
| 550 | Ion_Type1_477 15.044316286 0.000000000 1.008568000 0 # molecule nr 476
|
|---|
| 551 | Ion_Type1_478 15.044316286 0.000000000 0.000000000 0 # molecule nr 477
|
|---|
| 552 | Ion_Type1_479 15.044316286 0.000000000 3.865710857 0 # molecule nr 478
|
|---|
| 553 | Ion_Type1_480 15.044316286 0.000000000 2.857142857 0 # molecule nr 479
|
|---|
| 554 | Ion_Type1_481 15.044316286 0.000000000 6.722853714 0 # molecule nr 480
|
|---|
| 555 | Ion_Type1_482 15.044316286 0.000000000 5.714285714 0 # molecule nr 481
|
|---|
| 556 | Ion_Type1_483 15.044316286 0.000000000 9.579996571 0 # molecule nr 482
|
|---|
| 557 | Ion_Type1_484 15.044316286 0.000000000 8.571428571 0 # molecule nr 483
|
|---|
| 558 | Ion_Type1_485 15.044316286 0.000000000 12.437139429 0 # molecule nr 484
|
|---|
| 559 | Ion_Type1_486 15.044316286 0.000000000 11.428571429 0 # molecule nr 485
|
|---|
| 560 | Ion_Type1_487 15.044316286 0.000000000 15.294282286 0 # molecule nr 486
|
|---|
| 561 | Ion_Type1_488 15.044316286 0.000000000 14.285714286 0 # molecule nr 487
|
|---|
| 562 | Ion_Type1_489 15.044316286 0.000000000 18.151425143 0 # molecule nr 488
|
|---|
| 563 | Ion_Type1_490 15.044316286 0.000000000 17.142857143 0 # molecule nr 489
|
|---|
| 564 | Ion_Type1_491 15.044316286 2.857142857 1.008568000 0 # molecule nr 490
|
|---|
| 565 | Ion_Type1_492 15.044316286 2.857142857 0.000000000 0 # molecule nr 491
|
|---|
| 566 | Ion_Type1_493 15.044316286 2.857142857 3.865710857 0 # molecule nr 492
|
|---|
| 567 | Ion_Type1_494 15.044316286 2.857142857 2.857142857 0 # molecule nr 493
|
|---|
| 568 | Ion_Type1_495 15.044316286 2.857142857 6.722853714 0 # molecule nr 494
|
|---|
| 569 | Ion_Type1_496 15.044316286 2.857142857 5.714285714 0 # molecule nr 495
|
|---|
| 570 | Ion_Type1_497 15.044316286 2.857142857 9.579996571 0 # molecule nr 496
|
|---|
| 571 | Ion_Type1_498 15.044316286 2.857142857 8.571428571 0 # molecule nr 497
|
|---|
| 572 | Ion_Type1_499 15.044316286 2.857142857 12.437139429 0 # molecule nr 498
|
|---|
| 573 | Ion_Type1_500 15.044316286 2.857142857 11.428571429 0 # molecule nr 499
|
|---|
| 574 | Ion_Type1_501 15.044316286 2.857142857 15.294282286 0 # molecule nr 500
|
|---|
| 575 | Ion_Type1_502 15.044316286 2.857142857 14.285714286 0 # molecule nr 501
|
|---|
| 576 | Ion_Type1_503 15.044316286 2.857142857 18.151425143 0 # molecule nr 502
|
|---|
| 577 | Ion_Type1_504 15.044316286 2.857142857 17.142857143 0 # molecule nr 503
|
|---|
| 578 | Ion_Type1_505 15.044316286 5.714285714 1.008568000 0 # molecule nr 504
|
|---|
| 579 | Ion_Type1_506 15.044316286 5.714285714 0.000000000 0 # molecule nr 505
|
|---|
| 580 | Ion_Type1_507 15.044316286 5.714285714 3.865710857 0 # molecule nr 506
|
|---|
| 581 | Ion_Type1_508 15.044316286 5.714285714 2.857142857 0 # molecule nr 507
|
|---|
| 582 | Ion_Type1_509 15.044316286 5.714285714 6.722853714 0 # molecule nr 508
|
|---|
| 583 | Ion_Type1_510 15.044316286 5.714285714 5.714285714 0 # molecule nr 509
|
|---|
| 584 | Ion_Type1_511 15.044316286 5.714285714 9.579996571 0 # molecule nr 510
|
|---|
| 585 | Ion_Type1_512 15.044316286 5.714285714 8.571428571 0 # molecule nr 511
|
|---|
| 586 | Ion_Type1_513 15.044316286 5.714285714 12.437139429 0 # molecule nr 512
|
|---|
| 587 | Ion_Type1_514 15.044316286 5.714285714 11.428571429 0 # molecule nr 513
|
|---|
| 588 | Ion_Type1_515 15.044316286 5.714285714 15.294282286 0 # molecule nr 514
|
|---|
| 589 | Ion_Type1_516 15.044316286 5.714285714 14.285714286 0 # molecule nr 515
|
|---|
| 590 | Ion_Type1_517 15.044316286 5.714285714 18.151425143 0 # molecule nr 516
|
|---|
| 591 | Ion_Type1_518 15.044316286 5.714285714 17.142857143 0 # molecule nr 517
|
|---|
| 592 | Ion_Type1_519 15.044316286 8.571428571 1.008568000 0 # molecule nr 518
|
|---|
| 593 | Ion_Type1_520 15.044316286 8.571428571 0.000000000 0 # molecule nr 519
|
|---|
| 594 | Ion_Type1_521 15.044316286 8.571428571 3.865710857 0 # molecule nr 520
|
|---|
| 595 | Ion_Type1_522 15.044316286 8.571428571 2.857142857 0 # molecule nr 521
|
|---|
| 596 | Ion_Type1_523 15.044316286 8.571428571 6.722853714 0 # molecule nr 522
|
|---|
| 597 | Ion_Type1_524 15.044316286 8.571428571 5.714285714 0 # molecule nr 523
|
|---|
| 598 | Ion_Type1_525 15.044316286 8.571428571 9.579996571 0 # molecule nr 524
|
|---|
| 599 | Ion_Type1_526 15.044316286 8.571428571 8.571428571 0 # molecule nr 525
|
|---|
| 600 | Ion_Type1_527 15.044316286 8.571428571 12.437139429 0 # molecule nr 526
|
|---|
| 601 | Ion_Type1_528 15.044316286 8.571428571 11.428571429 0 # molecule nr 527
|
|---|
| 602 | Ion_Type1_529 15.044316286 8.571428571 15.294282286 0 # molecule nr 528
|
|---|
| 603 | Ion_Type1_530 15.044316286 8.571428571 14.285714286 0 # molecule nr 529
|
|---|
| 604 | Ion_Type1_531 15.044316286 8.571428571 18.151425143 0 # molecule nr 530
|
|---|
| 605 | Ion_Type1_532 15.044316286 8.571428571 17.142857143 0 # molecule nr 531
|
|---|
| 606 | Ion_Type1_533 15.044316286 11.428571429 1.008568000 0 # molecule nr 532
|
|---|
| 607 | Ion_Type1_534 15.044316286 11.428571429 0.000000000 0 # molecule nr 533
|
|---|
| 608 | Ion_Type1_535 15.044316286 11.428571429 3.865710857 0 # molecule nr 534
|
|---|
| 609 | Ion_Type1_536 15.044316286 11.428571429 2.857142857 0 # molecule nr 535
|
|---|
| 610 | Ion_Type1_537 15.044316286 11.428571429 6.722853714 0 # molecule nr 536
|
|---|
| 611 | Ion_Type1_538 15.044316286 11.428571429 5.714285714 0 # molecule nr 537
|
|---|
| 612 | Ion_Type1_539 15.044316286 11.428571429 9.579996571 0 # molecule nr 538
|
|---|
| 613 | Ion_Type1_540 15.044316286 11.428571429 8.571428571 0 # molecule nr 539
|
|---|
| 614 | Ion_Type1_541 15.044316286 11.428571429 12.437139429 0 # molecule nr 540
|
|---|
| 615 | Ion_Type1_542 15.044316286 11.428571429 11.428571429 0 # molecule nr 541
|
|---|
| 616 | Ion_Type1_543 15.044316286 11.428571429 15.294282286 0 # molecule nr 542
|
|---|
| 617 | Ion_Type1_544 15.044316286 11.428571429 14.285714286 0 # molecule nr 543
|
|---|
| 618 | Ion_Type1_545 15.044316286 11.428571429 18.151425143 0 # molecule nr 544
|
|---|
| 619 | Ion_Type1_546 15.044316286 11.428571429 17.142857143 0 # molecule nr 545
|
|---|
| 620 | Ion_Type1_547 15.044316286 14.285714286 1.008568000 0 # molecule nr 546
|
|---|
| 621 | Ion_Type1_548 15.044316286 14.285714286 0.000000000 0 # molecule nr 547
|
|---|
| 622 | Ion_Type1_549 15.044316286 14.285714286 3.865710857 0 # molecule nr 548
|
|---|
| 623 | Ion_Type1_550 15.044316286 14.285714286 2.857142857 0 # molecule nr 549
|
|---|
| 624 | Ion_Type1_551 15.044316286 14.285714286 6.722853714 0 # molecule nr 550
|
|---|
| 625 | Ion_Type1_552 15.044316286 14.285714286 5.714285714 0 # molecule nr 551
|
|---|
| 626 | Ion_Type1_553 15.044316286 14.285714286 9.579996571 0 # molecule nr 552
|
|---|
| 627 | Ion_Type1_554 15.044316286 14.285714286 8.571428571 0 # molecule nr 553
|
|---|
| 628 | Ion_Type1_555 15.044316286 14.285714286 12.437139429 0 # molecule nr 554
|
|---|
| 629 | Ion_Type1_556 15.044316286 14.285714286 11.428571429 0 # molecule nr 555
|
|---|
| 630 | Ion_Type1_557 15.044316286 14.285714286 15.294282286 0 # molecule nr 556
|
|---|
| 631 | Ion_Type1_558 15.044316286 14.285714286 14.285714286 0 # molecule nr 557
|
|---|
| 632 | Ion_Type1_559 15.044316286 14.285714286 18.151425143 0 # molecule nr 558
|
|---|
| 633 | Ion_Type1_560 15.044316286 14.285714286 17.142857143 0 # molecule nr 559
|
|---|
| 634 | Ion_Type1_561 15.044316286 17.142857143 1.008568000 0 # molecule nr 560
|
|---|
| 635 | Ion_Type1_562 15.044316286 17.142857143 0.000000000 0 # molecule nr 561
|
|---|
| 636 | Ion_Type1_563 15.044316286 17.142857143 3.865710857 0 # molecule nr 562
|
|---|
| 637 | Ion_Type1_564 15.044316286 17.142857143 2.857142857 0 # molecule nr 563
|
|---|
| 638 | Ion_Type1_565 15.044316286 17.142857143 6.722853714 0 # molecule nr 564
|
|---|
| 639 | Ion_Type1_566 15.044316286 17.142857143 5.714285714 0 # molecule nr 565
|
|---|
| 640 | Ion_Type1_567 15.044316286 17.142857143 9.579996571 0 # molecule nr 566
|
|---|
| 641 | Ion_Type1_568 15.044316286 17.142857143 8.571428571 0 # molecule nr 567
|
|---|
| 642 | Ion_Type1_569 15.044316286 17.142857143 12.437139429 0 # molecule nr 568
|
|---|
| 643 | Ion_Type1_570 15.044316286 17.142857143 11.428571429 0 # molecule nr 569
|
|---|
| 644 | Ion_Type1_571 15.044316286 17.142857143 15.294282286 0 # molecule nr 570
|
|---|
| 645 | Ion_Type1_572 15.044316286 17.142857143 14.285714286 0 # molecule nr 571
|
|---|
| 646 | Ion_Type1_573 15.044316286 17.142857143 18.151425143 0 # molecule nr 572
|
|---|
| 647 | Ion_Type1_574 15.044316286 17.142857143 17.142857143 0 # molecule nr 573
|
|---|
| 648 | Ion_Type1_575 17.901459143 0.000000000 1.008568000 0 # molecule nr 574
|
|---|
| 649 | Ion_Type1_576 17.901459143 0.000000000 0.000000000 0 # molecule nr 575
|
|---|
| 650 | Ion_Type1_577 17.901459143 0.000000000 3.865710857 0 # molecule nr 576
|
|---|
| 651 | Ion_Type1_578 17.901459143 0.000000000 2.857142857 0 # molecule nr 577
|
|---|
| 652 | Ion_Type1_579 17.901459143 0.000000000 6.722853714 0 # molecule nr 578
|
|---|
| 653 | Ion_Type1_580 17.901459143 0.000000000 5.714285714 0 # molecule nr 579
|
|---|
| 654 | Ion_Type1_581 17.901459143 0.000000000 9.579996571 0 # molecule nr 580
|
|---|
| 655 | Ion_Type1_582 17.901459143 0.000000000 8.571428571 0 # molecule nr 581
|
|---|
| 656 | Ion_Type1_583 17.901459143 0.000000000 12.437139429 0 # molecule nr 582
|
|---|
| 657 | Ion_Type1_584 17.901459143 0.000000000 11.428571429 0 # molecule nr 583
|
|---|
| 658 | Ion_Type1_585 17.901459143 0.000000000 15.294282286 0 # molecule nr 584
|
|---|
| 659 | Ion_Type1_586 17.901459143 0.000000000 14.285714286 0 # molecule nr 585
|
|---|
| 660 | Ion_Type1_587 17.901459143 0.000000000 18.151425143 0 # molecule nr 586
|
|---|
| 661 | Ion_Type1_588 17.901459143 0.000000000 17.142857143 0 # molecule nr 587
|
|---|
| 662 | Ion_Type1_589 17.901459143 2.857142857 1.008568000 0 # molecule nr 588
|
|---|
| 663 | Ion_Type1_590 17.901459143 2.857142857 0.000000000 0 # molecule nr 589
|
|---|
| 664 | Ion_Type1_591 17.901459143 2.857142857 3.865710857 0 # molecule nr 590
|
|---|
| 665 | Ion_Type1_592 17.901459143 2.857142857 2.857142857 0 # molecule nr 591
|
|---|
| 666 | Ion_Type1_593 17.901459143 2.857142857 6.722853714 0 # molecule nr 592
|
|---|
| 667 | Ion_Type1_594 17.901459143 2.857142857 5.714285714 0 # molecule nr 593
|
|---|
| 668 | Ion_Type1_595 17.901459143 2.857142857 9.579996571 0 # molecule nr 594
|
|---|
| 669 | Ion_Type1_596 17.901459143 2.857142857 8.571428571 0 # molecule nr 595
|
|---|
| 670 | Ion_Type1_597 17.901459143 2.857142857 12.437139429 0 # molecule nr 596
|
|---|
| 671 | Ion_Type1_598 17.901459143 2.857142857 11.428571429 0 # molecule nr 597
|
|---|
| 672 | Ion_Type1_599 17.901459143 2.857142857 15.294282286 0 # molecule nr 598
|
|---|
| 673 | Ion_Type1_600 17.901459143 2.857142857 14.285714286 0 # molecule nr 599
|
|---|
| 674 | Ion_Type1_601 17.901459143 2.857142857 18.151425143 0 # molecule nr 600
|
|---|
| 675 | Ion_Type1_602 17.901459143 2.857142857 17.142857143 0 # molecule nr 601
|
|---|
| 676 | Ion_Type1_603 17.901459143 5.714285714 1.008568000 0 # molecule nr 602
|
|---|
| 677 | Ion_Type1_604 17.901459143 5.714285714 0.000000000 0 # molecule nr 603
|
|---|
| 678 | Ion_Type1_605 17.901459143 5.714285714 3.865710857 0 # molecule nr 604
|
|---|
| 679 | Ion_Type1_606 17.901459143 5.714285714 2.857142857 0 # molecule nr 605
|
|---|
| 680 | Ion_Type1_607 17.901459143 5.714285714 6.722853714 0 # molecule nr 606
|
|---|
| 681 | Ion_Type1_608 17.901459143 5.714285714 5.714285714 0 # molecule nr 607
|
|---|
| 682 | Ion_Type1_609 17.901459143 5.714285714 9.579996571 0 # molecule nr 608
|
|---|
| 683 | Ion_Type1_610 17.901459143 5.714285714 8.571428571 0 # molecule nr 609
|
|---|
| 684 | Ion_Type1_611 17.901459143 5.714285714 12.437139429 0 # molecule nr 610
|
|---|
| 685 | Ion_Type1_612 17.901459143 5.714285714 11.428571429 0 # molecule nr 611
|
|---|
| 686 | Ion_Type1_613 17.901459143 5.714285714 15.294282286 0 # molecule nr 612
|
|---|
| 687 | Ion_Type1_614 17.901459143 5.714285714 14.285714286 0 # molecule nr 613
|
|---|
| 688 | Ion_Type1_615 17.901459143 5.714285714 18.151425143 0 # molecule nr 614
|
|---|
| 689 | Ion_Type1_616 17.901459143 5.714285714 17.142857143 0 # molecule nr 615
|
|---|
| 690 | Ion_Type1_617 17.901459143 8.571428571 1.008568000 0 # molecule nr 616
|
|---|
| 691 | Ion_Type1_618 17.901459143 8.571428571 0.000000000 0 # molecule nr 617
|
|---|
| 692 | Ion_Type1_619 17.901459143 8.571428571 3.865710857 0 # molecule nr 618
|
|---|
| 693 | Ion_Type1_620 17.901459143 8.571428571 2.857142857 0 # molecule nr 619
|
|---|
| 694 | Ion_Type1_621 17.901459143 8.571428571 6.722853714 0 # molecule nr 620
|
|---|
| 695 | Ion_Type1_622 17.901459143 8.571428571 5.714285714 0 # molecule nr 621
|
|---|
| 696 | Ion_Type1_623 17.901459143 8.571428571 9.579996571 0 # molecule nr 622
|
|---|
| 697 | Ion_Type1_624 17.901459143 8.571428571 8.571428571 0 # molecule nr 623
|
|---|
| 698 | Ion_Type1_625 17.901459143 8.571428571 12.437139429 0 # molecule nr 624
|
|---|
| 699 | Ion_Type1_626 17.901459143 8.571428571 11.428571429 0 # molecule nr 625
|
|---|
| 700 | Ion_Type1_627 17.901459143 8.571428571 15.294282286 0 # molecule nr 626
|
|---|
| 701 | Ion_Type1_628 17.901459143 8.571428571 14.285714286 0 # molecule nr 627
|
|---|
| 702 | Ion_Type1_629 17.901459143 8.571428571 18.151425143 0 # molecule nr 628
|
|---|
| 703 | Ion_Type1_630 17.901459143 8.571428571 17.142857143 0 # molecule nr 629
|
|---|
| 704 | Ion_Type1_631 17.901459143 11.428571429 1.008568000 0 # molecule nr 630
|
|---|
| 705 | Ion_Type1_632 17.901459143 11.428571429 0.000000000 0 # molecule nr 631
|
|---|
| 706 | Ion_Type1_633 17.901459143 11.428571429 3.865710857 0 # molecule nr 632
|
|---|
| 707 | Ion_Type1_634 17.901459143 11.428571429 2.857142857 0 # molecule nr 633
|
|---|
| 708 | Ion_Type1_635 17.901459143 11.428571429 6.722853714 0 # molecule nr 634
|
|---|
| 709 | Ion_Type1_636 17.901459143 11.428571429 5.714285714 0 # molecule nr 635
|
|---|
| 710 | Ion_Type1_637 17.901459143 11.428571429 9.579996571 0 # molecule nr 636
|
|---|
| 711 | Ion_Type1_638 17.901459143 11.428571429 8.571428571 0 # molecule nr 637
|
|---|
| 712 | Ion_Type1_639 17.901459143 11.428571429 12.437139429 0 # molecule nr 638
|
|---|
| 713 | Ion_Type1_640 17.901459143 11.428571429 11.428571429 0 # molecule nr 639
|
|---|
| 714 | Ion_Type1_641 17.901459143 11.428571429 15.294282286 0 # molecule nr 640
|
|---|
| 715 | Ion_Type1_642 17.901459143 11.428571429 14.285714286 0 # molecule nr 641
|
|---|
| 716 | Ion_Type1_643 17.901459143 11.428571429 18.151425143 0 # molecule nr 642
|
|---|
| 717 | Ion_Type1_644 17.901459143 11.428571429 17.142857143 0 # molecule nr 643
|
|---|
| 718 | Ion_Type1_645 17.901459143 14.285714286 1.008568000 0 # molecule nr 644
|
|---|
| 719 | Ion_Type1_646 17.901459143 14.285714286 0.000000000 0 # molecule nr 645
|
|---|
| 720 | Ion_Type1_647 17.901459143 14.285714286 3.865710857 0 # molecule nr 646
|
|---|
| 721 | Ion_Type1_648 17.901459143 14.285714286 2.857142857 0 # molecule nr 647
|
|---|
| 722 | Ion_Type1_649 17.901459143 14.285714286 6.722853714 0 # molecule nr 648
|
|---|
| 723 | Ion_Type1_650 17.901459143 14.285714286 5.714285714 0 # molecule nr 649
|
|---|
| 724 | Ion_Type1_651 17.901459143 14.285714286 9.579996571 0 # molecule nr 650
|
|---|
| 725 | Ion_Type1_652 17.901459143 14.285714286 8.571428571 0 # molecule nr 651
|
|---|
| 726 | Ion_Type1_653 17.901459143 14.285714286 12.437139429 0 # molecule nr 652
|
|---|
| 727 | Ion_Type1_654 17.901459143 14.285714286 11.428571429 0 # molecule nr 653
|
|---|
| 728 | Ion_Type1_655 17.901459143 14.285714286 15.294282286 0 # molecule nr 654
|
|---|
| 729 | Ion_Type1_656 17.901459143 14.285714286 14.285714286 0 # molecule nr 655
|
|---|
| 730 | Ion_Type1_657 17.901459143 14.285714286 18.151425143 0 # molecule nr 656
|
|---|
| 731 | Ion_Type1_658 17.901459143 14.285714286 17.142857143 0 # molecule nr 657
|
|---|
| 732 | Ion_Type1_659 17.901459143 17.142857143 1.008568000 0 # molecule nr 658
|
|---|
| 733 | Ion_Type1_660 17.901459143 17.142857143 0.000000000 0 # molecule nr 659
|
|---|
| 734 | Ion_Type1_661 17.901459143 17.142857143 3.865710857 0 # molecule nr 660
|
|---|
| 735 | Ion_Type1_662 17.901459143 17.142857143 2.857142857 0 # molecule nr 661
|
|---|
| 736 | Ion_Type1_663 17.901459143 17.142857143 6.722853714 0 # molecule nr 662
|
|---|
| 737 | Ion_Type1_664 17.901459143 17.142857143 5.714285714 0 # molecule nr 663
|
|---|
| 738 | Ion_Type1_665 17.901459143 17.142857143 9.579996571 0 # molecule nr 664
|
|---|
| 739 | Ion_Type1_666 17.901459143 17.142857143 8.571428571 0 # molecule nr 665
|
|---|
| 740 | Ion_Type1_667 17.901459143 17.142857143 12.437139429 0 # molecule nr 666
|
|---|
| 741 | Ion_Type1_668 17.901459143 17.142857143 11.428571429 0 # molecule nr 667
|
|---|
| 742 | Ion_Type1_669 17.901459143 17.142857143 15.294282286 0 # molecule nr 668
|
|---|
| 743 | Ion_Type1_670 17.901459143 17.142857143 14.285714286 0 # molecule nr 669
|
|---|
| 744 | Ion_Type2_1 9.782085945 3.275186040 3.535886037 0 # molecule nr 670
|
|---|
| 745 | Ion_Type2_2 8.532785963 4.158586027 3.535886037 0 # molecule nr 671
|
|---|
| 746 | Ion_Type2_3 7.283585982 3.275186040 3.535886037 0 # molecule nr 672
|
|---|
| 747 | Ion_Type3_1 17.142857143 17.142857143 17.647141143 0 # molecule nr 673
|
|---|
| 748 | Ion_Type3_2 0.000000000 0.000000000 6.218569714 0 # molecule nr 674
|
|---|
| 749 | Ion_Type3_3 0.000000000 0.000000000 9.075712571 0 # molecule nr 675
|
|---|
| 750 | Ion_Type3_4 0.000000000 0.000000000 11.932855429 0 # molecule nr 676
|
|---|
| 751 | Ion_Type3_5 0.000000000 0.000000000 14.789998286 0 # molecule nr 677
|
|---|
| 752 | Ion_Type3_6 0.000000000 0.000000000 17.647141143 0 # molecule nr 678
|
|---|
| 753 | Ion_Type3_7 0.000000000 2.857142857 0.504284000 0 # molecule nr 679
|
|---|
| 754 | Ion_Type3_8 0.000000000 2.857142857 3.361426857 0 # molecule nr 680
|
|---|
| 755 | Ion_Type3_9 0.000000000 2.857142857 6.218569714 0 # molecule nr 681
|
|---|
| 756 | Ion_Type3_10 0.000000000 2.857142857 9.075712571 0 # molecule nr 682
|
|---|
| 757 | Ion_Type3_11 0.000000000 2.857142857 11.932855429 0 # molecule nr 683
|
|---|
| 758 | Ion_Type3_12 0.000000000 2.857142857 14.789998286 0 # molecule nr 684
|
|---|
| 759 | Ion_Type3_13 0.000000000 2.857142857 17.647141143 0 # molecule nr 685
|
|---|
| 760 | Ion_Type3_14 0.000000000 5.714285714 0.504284000 0 # molecule nr 686
|
|---|
| 761 | Ion_Type3_15 0.000000000 5.714285714 3.361426857 0 # molecule nr 687
|
|---|
| 762 | Ion_Type3_16 0.000000000 5.714285714 6.218569714 0 # molecule nr 688
|
|---|
| 763 | Ion_Type3_17 0.000000000 5.714285714 9.075712571 0 # molecule nr 689
|
|---|
| 764 | Ion_Type3_18 0.000000000 5.714285714 11.932855429 0 # molecule nr 690
|
|---|
| 765 | Ion_Type3_19 0.000000000 5.714285714 14.789998286 0 # molecule nr 691
|
|---|
| 766 | Ion_Type3_20 0.000000000 5.714285714 17.647141143 0 # molecule nr 692
|
|---|
| 767 | Ion_Type3_21 0.000000000 8.571428571 0.504284000 0 # molecule nr 693
|
|---|
| 768 | Ion_Type3_22 0.000000000 8.571428571 3.361426857 0 # molecule nr 694
|
|---|
| 769 | Ion_Type3_23 0.000000000 8.571428571 6.218569714 0 # molecule nr 695
|
|---|
| 770 | Ion_Type3_24 0.000000000 8.571428571 9.075712571 0 # molecule nr 696
|
|---|
| 771 | Ion_Type3_25 0.000000000 8.571428571 11.932855429 0 # molecule nr 697
|
|---|
| 772 | Ion_Type3_26 0.000000000 8.571428571 14.789998286 0 # molecule nr 698
|
|---|
| 773 | Ion_Type3_27 0.000000000 8.571428571 17.647141143 0 # molecule nr 699
|
|---|
| 774 | Ion_Type3_28 0.000000000 11.428571429 0.504284000 0 # molecule nr 700
|
|---|
| 775 | Ion_Type3_29 0.000000000 11.428571429 3.361426857 0 # molecule nr 701
|
|---|
| 776 | Ion_Type3_30 0.000000000 11.428571429 6.218569714 0 # molecule nr 702
|
|---|
| 777 | Ion_Type3_31 0.000000000 11.428571429 9.075712571 0 # molecule nr 703
|
|---|
| 778 | Ion_Type3_32 0.000000000 11.428571429 11.932855429 0 # molecule nr 704
|
|---|
| 779 | Ion_Type3_33 0.000000000 11.428571429 14.789998286 0 # molecule nr 705
|
|---|
| 780 | Ion_Type3_34 0.000000000 11.428571429 17.647141143 0 # molecule nr 706
|
|---|
| 781 | Ion_Type3_35 0.000000000 14.285714286 0.504284000 0 # molecule nr 707
|
|---|
| 782 | Ion_Type3_36 0.000000000 14.285714286 3.361426857 0 # molecule nr 708
|
|---|
| 783 | Ion_Type3_37 0.000000000 14.285714286 6.218569714 0 # molecule nr 709
|
|---|
| 784 | Ion_Type3_38 0.000000000 14.285714286 9.075712571 0 # molecule nr 710
|
|---|
| 785 | Ion_Type3_39 0.000000000 14.285714286 11.932855429 0 # molecule nr 711
|
|---|
| 786 | Ion_Type3_40 0.000000000 14.285714286 14.789998286 0 # molecule nr 712
|
|---|
| 787 | Ion_Type3_41 0.000000000 14.285714286 17.647141143 0 # molecule nr 713
|
|---|
| 788 | Ion_Type3_42 0.000000000 17.142857143 0.504284000 0 # molecule nr 714
|
|---|
| 789 | Ion_Type3_43 0.000000000 17.142857143 3.361426857 0 # molecule nr 715
|
|---|
| 790 | Ion_Type3_44 0.000000000 17.142857143 6.218569714 0 # molecule nr 716
|
|---|
| 791 | Ion_Type3_45 0.000000000 17.142857143 9.075712571 0 # molecule nr 717
|
|---|
| 792 | Ion_Type3_46 0.000000000 17.142857143 11.932855429 0 # molecule nr 718
|
|---|
| 793 | Ion_Type3_47 0.000000000 17.142857143 14.789998286 0 # molecule nr 719
|
|---|
| 794 | Ion_Type3_48 0.000000000 17.142857143 17.647141143 0 # molecule nr 720
|
|---|
| 795 | Ion_Type3_49 2.857142857 0.000000000 3.361426857 0 # molecule nr 721
|
|---|
| 796 | Ion_Type3_50 2.857142857 0.000000000 6.218569714 0 # molecule nr 722
|
|---|
| 797 | Ion_Type3_51 2.857142857 0.000000000 9.075712571 0 # molecule nr 723
|
|---|
| 798 | Ion_Type3_52 2.857142857 0.000000000 11.932855429 0 # molecule nr 724
|
|---|
| 799 | Ion_Type3_53 2.857142857 0.000000000 14.789998286 0 # molecule nr 725
|
|---|
| 800 | Ion_Type3_54 2.857142857 0.000000000 17.647141143 0 # molecule nr 726
|
|---|
| 801 | Ion_Type3_55 2.857142857 2.857142857 0.504284000 0 # molecule nr 727
|
|---|
| 802 | Ion_Type3_56 2.857142857 2.857142857 3.361426857 0 # molecule nr 728
|
|---|
| 803 | Ion_Type3_57 2.857142857 2.857142857 6.218569714 0 # molecule nr 729
|
|---|
| 804 | Ion_Type3_58 2.857142857 2.857142857 9.075712571 0 # molecule nr 730
|
|---|
| 805 | Ion_Type3_59 2.857142857 2.857142857 11.932855429 0 # molecule nr 731
|
|---|
| 806 | Ion_Type3_60 2.857142857 2.857142857 14.789998286 0 # molecule nr 732
|
|---|
| 807 | Ion_Type3_61 2.857142857 2.857142857 17.647141143 0 # molecule nr 733
|
|---|
| 808 | Ion_Type3_62 2.857142857 5.714285714 0.504284000 0 # molecule nr 734
|
|---|
| 809 | Ion_Type3_63 2.857142857 5.714285714 3.361426857 0 # molecule nr 735
|
|---|
| 810 | Ion_Type3_64 2.857142857 5.714285714 6.218569714 0 # molecule nr 736
|
|---|
| 811 | Ion_Type3_65 2.857142857 5.714285714 9.075712571 0 # molecule nr 737
|
|---|
| 812 | Ion_Type3_66 2.857142857 5.714285714 11.932855429 0 # molecule nr 738
|
|---|
| 813 | Ion_Type3_67 2.857142857 5.714285714 14.789998286 0 # molecule nr 739
|
|---|
| 814 | Ion_Type3_68 2.857142857 5.714285714 17.647141143 0 # molecule nr 740
|
|---|
| 815 | Ion_Type3_69 2.857142857 8.571428571 0.504284000 0 # molecule nr 741
|
|---|
| 816 | Ion_Type3_70 2.857142857 8.571428571 3.361426857 0 # molecule nr 742
|
|---|
| 817 | Ion_Type3_71 2.857142857 8.571428571 6.218569714 0 # molecule nr 743
|
|---|
| 818 | Ion_Type3_72 2.857142857 8.571428571 9.075712571 0 # molecule nr 744
|
|---|
| 819 | Ion_Type3_73 2.857142857 8.571428571 11.932855429 0 # molecule nr 745
|
|---|
| 820 | Ion_Type3_74 2.857142857 8.571428571 14.789998286 0 # molecule nr 746
|
|---|
| 821 | Ion_Type3_75 2.857142857 8.571428571 17.647141143 0 # molecule nr 747
|
|---|
| 822 | Ion_Type3_76 2.857142857 11.428571429 0.504284000 0 # molecule nr 748
|
|---|
| 823 | Ion_Type3_77 2.857142857 11.428571429 3.361426857 0 # molecule nr 749
|
|---|
| 824 | Ion_Type3_78 2.857142857 11.428571429 6.218569714 0 # molecule nr 750
|
|---|
| 825 | Ion_Type3_79 2.857142857 11.428571429 9.075712571 0 # molecule nr 751
|
|---|
| 826 | Ion_Type3_80 2.857142857 11.428571429 11.932855429 0 # molecule nr 752
|
|---|
| 827 | Ion_Type3_81 2.857142857 11.428571429 14.789998286 0 # molecule nr 753
|
|---|
| 828 | Ion_Type3_82 2.857142857 11.428571429 17.647141143 0 # molecule nr 754
|
|---|
| 829 | Ion_Type3_83 2.857142857 14.285714286 0.504284000 0 # molecule nr 755
|
|---|
| 830 | Ion_Type3_84 2.857142857 14.285714286 3.361426857 0 # molecule nr 756
|
|---|
| 831 | Ion_Type3_85 2.857142857 14.285714286 6.218569714 0 # molecule nr 757
|
|---|
| 832 | Ion_Type3_86 2.857142857 14.285714286 9.075712571 0 # molecule nr 758
|
|---|
| 833 | Ion_Type3_87 2.857142857 14.285714286 11.932855429 0 # molecule nr 759
|
|---|
| 834 | Ion_Type3_88 2.857142857 14.285714286 14.789998286 0 # molecule nr 760
|
|---|
| 835 | Ion_Type3_89 2.857142857 14.285714286 17.647141143 0 # molecule nr 761
|
|---|
| 836 | Ion_Type3_90 2.857142857 17.142857143 0.504284000 0 # molecule nr 762
|
|---|
| 837 | Ion_Type3_91 2.857142857 17.142857143 3.361426857 0 # molecule nr 763
|
|---|
| 838 | Ion_Type3_92 2.857142857 17.142857143 6.218569714 0 # molecule nr 764
|
|---|
| 839 | Ion_Type3_93 2.857142857 17.142857143 9.075712571 0 # molecule nr 765
|
|---|
| 840 | Ion_Type3_94 2.857142857 17.142857143 11.932855429 0 # molecule nr 766
|
|---|
| 841 | Ion_Type3_95 2.857142857 17.142857143 14.789998286 0 # molecule nr 767
|
|---|
| 842 | Ion_Type3_96 2.857142857 17.142857143 17.647141143 0 # molecule nr 768
|
|---|
| 843 | Ion_Type3_97 5.714285714 0.000000000 0.504284000 0 # molecule nr 769
|
|---|
| 844 | Ion_Type3_98 5.714285714 0.000000000 3.361426857 0 # molecule nr 770
|
|---|
| 845 | Ion_Type3_99 5.714285714 0.000000000 6.218569714 0 # molecule nr 771
|
|---|
| 846 | Ion_Type3_100 5.714285714 0.000000000 9.075712571 0 # molecule nr 772
|
|---|
| 847 | Ion_Type3_101 5.714285714 0.000000000 11.932855429 0 # molecule nr 773
|
|---|
| 848 | Ion_Type3_102 5.714285714 0.000000000 14.789998286 0 # molecule nr 774
|
|---|
| 849 | Ion_Type3_103 5.714285714 0.000000000 17.647141143 0 # molecule nr 775
|
|---|
| 850 | Ion_Type3_104 5.714285714 2.857142857 0.504284000 0 # molecule nr 776
|
|---|
| 851 | Ion_Type3_105 5.714285714 2.857142857 9.075712571 0 # molecule nr 777
|
|---|
| 852 | Ion_Type3_106 5.714285714 2.857142857 11.932855429 0 # molecule nr 778
|
|---|
| 853 | Ion_Type3_107 5.714285714 2.857142857 14.789998286 0 # molecule nr 779
|
|---|
| 854 | Ion_Type3_108 5.714285714 2.857142857 17.647141143 0 # molecule nr 780
|
|---|
| 855 | Ion_Type3_109 5.714285714 5.714285714 0.504284000 0 # molecule nr 781
|
|---|
| 856 | Ion_Type3_110 5.714285714 5.714285714 6.218569714 0 # molecule nr 782
|
|---|
| 857 | Ion_Type3_111 5.714285714 5.714285714 9.075712571 0 # molecule nr 783
|
|---|
| 858 | Ion_Type3_112 5.714285714 5.714285714 11.932855429 0 # molecule nr 784
|
|---|
| 859 | Ion_Type3_113 5.714285714 5.714285714 14.789998286 0 # molecule nr 785
|
|---|
| 860 | Ion_Type3_114 5.714285714 5.714285714 17.647141143 0 # molecule nr 786
|
|---|
| 861 | Ion_Type3_115 5.714285714 8.571428571 0.504284000 0 # molecule nr 787
|
|---|
| 862 | Ion_Type3_116 5.714285714 8.571428571 3.361426857 0 # molecule nr 788
|
|---|
| 863 | Ion_Type3_117 5.714285714 8.571428571 6.218569714 0 # molecule nr 789
|
|---|
| 864 | Ion_Type3_118 5.714285714 8.571428571 9.075712571 0 # molecule nr 790
|
|---|
| 865 | Ion_Type3_119 5.714285714 8.571428571 11.932855429 0 # molecule nr 791
|
|---|
| 866 | Ion_Type3_120 5.714285714 8.571428571 14.789998286 0 # molecule nr 792
|
|---|
| 867 | Ion_Type3_121 5.714285714 8.571428571 17.647141143 0 # molecule nr 793
|
|---|
| 868 | Ion_Type3_122 5.714285714 11.428571429 0.504284000 0 # molecule nr 794
|
|---|
| 869 | Ion_Type3_123 5.714285714 11.428571429 3.361426857 0 # molecule nr 795
|
|---|
| 870 | Ion_Type3_124 5.714285714 11.428571429 6.218569714 0 # molecule nr 796
|
|---|
| 871 | Ion_Type3_125 5.714285714 11.428571429 9.075712571 0 # molecule nr 797
|
|---|
| 872 | Ion_Type3_126 5.714285714 11.428571429 11.932855429 0 # molecule nr 798
|
|---|
| 873 | Ion_Type3_127 5.714285714 11.428571429 14.789998286 0 # molecule nr 799
|
|---|
| 874 | Ion_Type3_128 5.714285714 11.428571429 17.647141143 0 # molecule nr 800
|
|---|
| 875 | Ion_Type3_129 5.714285714 14.285714286 0.504284000 0 # molecule nr 801
|
|---|
| 876 | Ion_Type3_130 5.714285714 14.285714286 3.361426857 0 # molecule nr 802
|
|---|
| 877 | Ion_Type3_131 5.714285714 14.285714286 6.218569714 0 # molecule nr 803
|
|---|
| 878 | Ion_Type3_132 5.714285714 14.285714286 9.075712571 0 # molecule nr 804
|
|---|
| 879 | Ion_Type3_133 5.714285714 14.285714286 11.932855429 0 # molecule nr 805
|
|---|
| 880 | Ion_Type3_134 5.714285714 14.285714286 14.789998286 0 # molecule nr 806
|
|---|
| 881 | Ion_Type3_135 5.714285714 14.285714286 17.647141143 0 # molecule nr 807
|
|---|
| 882 | Ion_Type3_136 5.714285714 17.142857143 0.504284000 0 # molecule nr 808
|
|---|
| 883 | Ion_Type3_137 5.714285714 17.142857143 3.361426857 0 # molecule nr 809
|
|---|
| 884 | Ion_Type3_138 5.714285714 17.142857143 6.218569714 0 # molecule nr 810
|
|---|
| 885 | Ion_Type3_139 5.714285714 17.142857143 9.075712571 0 # molecule nr 811
|
|---|
| 886 | Ion_Type3_140 5.714285714 17.142857143 11.932855429 0 # molecule nr 812
|
|---|
| 887 | Ion_Type3_141 5.714285714 17.142857143 14.789998286 0 # molecule nr 813
|
|---|
| 888 | Ion_Type3_142 5.714285714 17.142857143 17.647141143 0 # molecule nr 814
|
|---|
| 889 | Ion_Type3_143 8.571428571 0.000000000 0.504284000 0 # molecule nr 815
|
|---|
| 890 | Ion_Type3_144 8.571428571 0.000000000 3.361426857 0 # molecule nr 816
|
|---|
| 891 | Ion_Type3_145 8.571428571 0.000000000 6.218569714 0 # molecule nr 817
|
|---|
| 892 | Ion_Type3_146 8.571428571 0.000000000 9.075712571 0 # molecule nr 818
|
|---|
| 893 | Ion_Type3_147 8.571428571 0.000000000 11.932855429 0 # molecule nr 819
|
|---|
| 894 | Ion_Type3_148 8.571428571 0.000000000 14.789998286 0 # molecule nr 820
|
|---|
| 895 | Ion_Type3_149 8.571428571 0.000000000 17.647141143 0 # molecule nr 821
|
|---|
| 896 | Ion_Type3_150 8.571428571 2.857142857 0.504284000 0 # molecule nr 822
|
|---|
| 897 | Ion_Type3_151 8.571428571 2.857142857 9.075712571 0 # molecule nr 823
|
|---|
| 898 | Ion_Type3_152 8.571428571 2.857142857 11.932855429 0 # molecule nr 824
|
|---|
| 899 | Ion_Type3_153 8.571428571 2.857142857 14.789998286 0 # molecule nr 825
|
|---|
| 900 | Ion_Type3_154 8.571428571 2.857142857 17.647141143 0 # molecule nr 826
|
|---|
| 901 | Ion_Type3_155 8.571428571 5.714285714 0.504284000 0 # molecule nr 827
|
|---|
| 902 | Ion_Type3_156 8.571428571 5.714285714 9.075712571 0 # molecule nr 828
|
|---|
| 903 | Ion_Type3_157 8.571428571 5.714285714 11.932855429 0 # molecule nr 829
|
|---|
| 904 | Ion_Type3_158 8.571428571 5.714285714 14.789998286 0 # molecule nr 830
|
|---|
| 905 | Ion_Type3_159 8.571428571 5.714285714 17.647141143 0 # molecule nr 831
|
|---|
| 906 | Ion_Type3_160 8.571428571 8.571428571 0.504284000 0 # molecule nr 832
|
|---|
| 907 | Ion_Type3_161 8.571428571 8.571428571 3.361426857 0 # molecule nr 833
|
|---|
| 908 | Ion_Type3_162 8.571428571 8.571428571 6.218569714 0 # molecule nr 834
|
|---|
| 909 | Ion_Type3_163 8.571428571 8.571428571 9.075712571 0 # molecule nr 835
|
|---|
| 910 | Ion_Type3_164 8.571428571 8.571428571 11.932855429 0 # molecule nr 836
|
|---|
| 911 | Ion_Type3_165 8.571428571 8.571428571 14.789998286 0 # molecule nr 837
|
|---|
| 912 | Ion_Type3_166 8.571428571 8.571428571 17.647141143 0 # molecule nr 838
|
|---|
| 913 | Ion_Type3_167 8.571428571 11.428571429 0.504284000 0 # molecule nr 839
|
|---|
| 914 | Ion_Type3_168 8.571428571 11.428571429 3.361426857 0 # molecule nr 840
|
|---|
| 915 | Ion_Type3_169 8.571428571 11.428571429 6.218569714 0 # molecule nr 841
|
|---|
| 916 | Ion_Type3_170 8.571428571 11.428571429 9.075712571 0 # molecule nr 842
|
|---|
| 917 | Ion_Type3_171 8.571428571 11.428571429 11.932855429 0 # molecule nr 843
|
|---|
| 918 | Ion_Type3_172 8.571428571 11.428571429 14.789998286 0 # molecule nr 844
|
|---|
| 919 | Ion_Type3_173 8.571428571 11.428571429 17.647141143 0 # molecule nr 845
|
|---|
| 920 | Ion_Type3_174 8.571428571 14.285714286 0.504284000 0 # molecule nr 846
|
|---|
| 921 | Ion_Type3_175 8.571428571 14.285714286 3.361426857 0 # molecule nr 847
|
|---|
| 922 | Ion_Type3_176 8.571428571 14.285714286 6.218569714 0 # molecule nr 848
|
|---|
| 923 | Ion_Type3_177 8.571428571 14.285714286 9.075712571 0 # molecule nr 849
|
|---|
| 924 | Ion_Type3_178 8.571428571 14.285714286 11.932855429 0 # molecule nr 850
|
|---|
| 925 | Ion_Type3_179 8.571428571 14.285714286 14.789998286 0 # molecule nr 851
|
|---|
| 926 | Ion_Type3_180 8.571428571 14.285714286 17.647141143 0 # molecule nr 852
|
|---|
| 927 | Ion_Type3_181 8.571428571 17.142857143 0.504284000 0 # molecule nr 853
|
|---|
| 928 | Ion_Type3_182 8.571428571 17.142857143 3.361426857 0 # molecule nr 854
|
|---|
| 929 | Ion_Type3_183 8.571428571 17.142857143 6.218569714 0 # molecule nr 855
|
|---|
| 930 | Ion_Type3_184 8.571428571 17.142857143 9.075712571 0 # molecule nr 856
|
|---|
| 931 | Ion_Type3_185 8.571428571 17.142857143 11.932855429 0 # molecule nr 857
|
|---|
| 932 | Ion_Type3_186 8.571428571 17.142857143 14.789998286 0 # molecule nr 858
|
|---|
| 933 | Ion_Type3_187 8.571428571 17.142857143 17.647141143 0 # molecule nr 859
|
|---|
| 934 | Ion_Type3_188 11.428571429 0.000000000 0.504284000 0 # molecule nr 860
|
|---|
| 935 | Ion_Type3_189 11.428571429 0.000000000 3.361426857 0 # molecule nr 861
|
|---|
| 936 | Ion_Type3_190 11.428571429 0.000000000 6.218569714 0 # molecule nr 862
|
|---|
| 937 | Ion_Type3_191 11.428571429 0.000000000 9.075712571 0 # molecule nr 863
|
|---|
| 938 | Ion_Type3_192 11.428571429 0.000000000 11.932855429 0 # molecule nr 864
|
|---|
| 939 | Ion_Type3_193 11.428571429 0.000000000 14.789998286 0 # molecule nr 865
|
|---|
| 940 | Ion_Type3_194 11.428571429 0.000000000 17.647141143 0 # molecule nr 866
|
|---|
| 941 | Ion_Type3_195 11.428571429 2.857142857 0.504284000 0 # molecule nr 867
|
|---|
| 942 | Ion_Type3_196 11.428571429 2.857142857 6.218569714 0 # molecule nr 868
|
|---|
| 943 | Ion_Type3_197 11.428571429 2.857142857 9.075712571 0 # molecule nr 869
|
|---|
| 944 | Ion_Type3_198 11.428571429 2.857142857 11.932855429 0 # molecule nr 870
|
|---|
| 945 | Ion_Type3_199 11.428571429 2.857142857 14.789998286 0 # molecule nr 871
|
|---|
| 946 | Ion_Type3_200 11.428571429 2.857142857 17.647141143 0 # molecule nr 872
|
|---|
| 947 | Ion_Type3_201 11.428571429 5.714285714 0.504284000 0 # molecule nr 873
|
|---|
| 948 | Ion_Type3_202 11.428571429 5.714285714 6.218569714 0 # molecule nr 874
|
|---|
| 949 | Ion_Type3_203 11.428571429 5.714285714 9.075712571 0 # molecule nr 875
|
|---|
| 950 | Ion_Type3_204 11.428571429 5.714285714 11.932855429 0 # molecule nr 876
|
|---|
| 951 | Ion_Type3_205 11.428571429 5.714285714 14.789998286 0 # molecule nr 877
|
|---|
| 952 | Ion_Type3_206 11.428571429 5.714285714 17.647141143 0 # molecule nr 878
|
|---|
| 953 | Ion_Type3_207 11.428571429 8.571428571 0.504284000 0 # molecule nr 879
|
|---|
| 954 | Ion_Type3_208 11.428571429 8.571428571 3.361426857 0 # molecule nr 880
|
|---|
| 955 | Ion_Type3_209 11.428571429 8.571428571 6.218569714 0 # molecule nr 881
|
|---|
| 956 | Ion_Type3_210 11.428571429 8.571428571 9.075712571 0 # molecule nr 882
|
|---|
| 957 | Ion_Type3_211 11.428571429 8.571428571 11.932855429 0 # molecule nr 883
|
|---|
| 958 | Ion_Type3_212 11.428571429 8.571428571 14.789998286 0 # molecule nr 884
|
|---|
| 959 | Ion_Type3_213 11.428571429 8.571428571 17.647141143 0 # molecule nr 885
|
|---|
| 960 | Ion_Type3_214 11.428571429 11.428571429 0.504284000 0 # molecule nr 886
|
|---|
| 961 | Ion_Type3_215 11.428571429 11.428571429 3.361426857 0 # molecule nr 887
|
|---|
| 962 | Ion_Type3_216 11.428571429 11.428571429 6.218569714 0 # molecule nr 888
|
|---|
| 963 | Ion_Type3_217 11.428571429 11.428571429 9.075712571 0 # molecule nr 889
|
|---|
| 964 | Ion_Type3_218 11.428571429 11.428571429 11.932855429 0 # molecule nr 890
|
|---|
| 965 | Ion_Type3_219 11.428571429 11.428571429 14.789998286 0 # molecule nr 891
|
|---|
| 966 | Ion_Type3_220 11.428571429 11.428571429 17.647141143 0 # molecule nr 892
|
|---|
| 967 | Ion_Type3_221 11.428571429 14.285714286 0.504284000 0 # molecule nr 893
|
|---|
| 968 | Ion_Type3_222 11.428571429 14.285714286 3.361426857 0 # molecule nr 894
|
|---|
| 969 | Ion_Type3_223 11.428571429 14.285714286 6.218569714 0 # molecule nr 895
|
|---|
| 970 | Ion_Type3_224 11.428571429 14.285714286 9.075712571 0 # molecule nr 896
|
|---|
| 971 | Ion_Type3_225 11.428571429 14.285714286 11.932855429 0 # molecule nr 897
|
|---|
| 972 | Ion_Type3_226 11.428571429 14.285714286 14.789998286 0 # molecule nr 898
|
|---|
| 973 | Ion_Type3_227 11.428571429 14.285714286 17.647141143 0 # molecule nr 899
|
|---|
| 974 | Ion_Type3_228 11.428571429 17.142857143 0.504284000 0 # molecule nr 900
|
|---|
| 975 | Ion_Type3_229 11.428571429 17.142857143 3.361426857 0 # molecule nr 901
|
|---|
| 976 | Ion_Type3_230 11.428571429 17.142857143 6.218569714 0 # molecule nr 902
|
|---|
| 977 | Ion_Type3_231 11.428571429 17.142857143 9.075712571 0 # molecule nr 903
|
|---|
| 978 | Ion_Type3_232 11.428571429 17.142857143 11.932855429 0 # molecule nr 904
|
|---|
| 979 | Ion_Type3_233 11.428571429 17.142857143 14.789998286 0 # molecule nr 905
|
|---|
| 980 | Ion_Type3_234 11.428571429 17.142857143 17.647141143 0 # molecule nr 906
|
|---|
| 981 | Ion_Type3_235 14.285714286 0.000000000 0.504284000 0 # molecule nr 907
|
|---|
| 982 | Ion_Type3_236 14.285714286 0.000000000 3.361426857 0 # molecule nr 908
|
|---|
| 983 | Ion_Type3_237 14.285714286 0.000000000 6.218569714 0 # molecule nr 909
|
|---|
| 984 | Ion_Type3_238 14.285714286 0.000000000 9.075712571 0 # molecule nr 910
|
|---|
| 985 | Ion_Type3_239 14.285714286 0.000000000 11.932855429 0 # molecule nr 911
|
|---|
| 986 | Ion_Type3_240 14.285714286 0.000000000 14.789998286 0 # molecule nr 912
|
|---|
| 987 | Ion_Type3_241 14.285714286 0.000000000 17.647141143 0 # molecule nr 913
|
|---|
| 988 | Ion_Type3_242 14.285714286 2.857142857 0.504284000 0 # molecule nr 914
|
|---|
| 989 | Ion_Type3_243 14.285714286 2.857142857 3.361426857 0 # molecule nr 915
|
|---|
| 990 | Ion_Type3_244 14.285714286 2.857142857 6.218569714 0 # molecule nr 916
|
|---|
| 991 | Ion_Type3_245 14.285714286 2.857142857 9.075712571 0 # molecule nr 917
|
|---|
| 992 | Ion_Type3_246 14.285714286 2.857142857 11.932855429 0 # molecule nr 918
|
|---|
| 993 | Ion_Type3_247 14.285714286 2.857142857 14.789998286 0 # molecule nr 919
|
|---|
| 994 | Ion_Type3_248 14.285714286 2.857142857 17.647141143 0 # molecule nr 920
|
|---|
| 995 | Ion_Type3_249 14.285714286 5.714285714 0.504284000 0 # molecule nr 921
|
|---|
| 996 | Ion_Type3_250 14.285714286 5.714285714 3.361426857 0 # molecule nr 922
|
|---|
| 997 | Ion_Type3_251 14.285714286 5.714285714 6.218569714 0 # molecule nr 923
|
|---|
| 998 | Ion_Type3_252 14.285714286 5.714285714 9.075712571 0 # molecule nr 924
|
|---|
| 999 | Ion_Type3_253 14.285714286 5.714285714 11.932855429 0 # molecule nr 925
|
|---|
| 1000 | Ion_Type3_254 14.285714286 5.714285714 14.789998286 0 # molecule nr 926
|
|---|
| 1001 | Ion_Type3_255 14.285714286 5.714285714 17.647141143 0 # molecule nr 927
|
|---|
| 1002 | Ion_Type3_256 14.285714286 8.571428571 0.504284000 0 # molecule nr 928
|
|---|
| 1003 | Ion_Type3_257 14.285714286 8.571428571 3.361426857 0 # molecule nr 929
|
|---|
| 1004 | Ion_Type3_258 14.285714286 8.571428571 6.218569714 0 # molecule nr 930
|
|---|
| 1005 | Ion_Type3_259 14.285714286 8.571428571 9.075712571 0 # molecule nr 931
|
|---|
| 1006 | Ion_Type3_260 14.285714286 8.571428571 11.932855429 0 # molecule nr 932
|
|---|
| 1007 | Ion_Type3_261 14.285714286 8.571428571 14.789998286 0 # molecule nr 933
|
|---|
| 1008 | Ion_Type3_262 14.285714286 8.571428571 17.647141143 0 # molecule nr 934
|
|---|
| 1009 | Ion_Type3_263 14.285714286 11.428571429 0.504284000 0 # molecule nr 935
|
|---|
| 1010 | Ion_Type3_264 14.285714286 11.428571429 3.361426857 0 # molecule nr 936
|
|---|
| 1011 | Ion_Type3_265 14.285714286 11.428571429 6.218569714 0 # molecule nr 937
|
|---|
| 1012 | Ion_Type3_266 14.285714286 11.428571429 9.075712571 0 # molecule nr 938
|
|---|
| 1013 | Ion_Type3_267 14.285714286 11.428571429 11.932855429 0 # molecule nr 939
|
|---|
| 1014 | Ion_Type3_268 14.285714286 11.428571429 14.789998286 0 # molecule nr 940
|
|---|
| 1015 | Ion_Type3_269 14.285714286 11.428571429 17.647141143 0 # molecule nr 941
|
|---|
| 1016 | Ion_Type3_270 14.285714286 14.285714286 0.504284000 0 # molecule nr 942
|
|---|
| 1017 | Ion_Type3_271 14.285714286 14.285714286 3.361426857 0 # molecule nr 943
|
|---|
| 1018 | Ion_Type3_272 14.285714286 14.285714286 6.218569714 0 # molecule nr 944
|
|---|
| 1019 | Ion_Type3_273 14.285714286 14.285714286 9.075712571 0 # molecule nr 945
|
|---|
| 1020 | Ion_Type3_274 14.285714286 14.285714286 11.932855429 0 # molecule nr 946
|
|---|
| 1021 | Ion_Type3_275 14.285714286 14.285714286 14.789998286 0 # molecule nr 947
|
|---|
| 1022 | Ion_Type3_276 14.285714286 14.285714286 17.647141143 0 # molecule nr 948
|
|---|
| 1023 | Ion_Type3_277 14.285714286 17.142857143 0.504284000 0 # molecule nr 949
|
|---|
| 1024 | Ion_Type3_278 14.285714286 17.142857143 3.361426857 0 # molecule nr 950
|
|---|
| 1025 | Ion_Type3_279 14.285714286 17.142857143 6.218569714 0 # molecule nr 951
|
|---|
| 1026 | Ion_Type3_280 14.285714286 17.142857143 9.075712571 0 # molecule nr 952
|
|---|
| 1027 | Ion_Type3_281 14.285714286 17.142857143 11.932855429 0 # molecule nr 953
|
|---|
| 1028 | Ion_Type3_282 14.285714286 17.142857143 14.789998286 0 # molecule nr 954
|
|---|
| 1029 | Ion_Type3_283 14.285714286 17.142857143 17.647141143 0 # molecule nr 955
|
|---|
| 1030 | Ion_Type3_284 17.142857143 0.000000000 0.504284000 0 # molecule nr 956
|
|---|
| 1031 | Ion_Type3_285 17.142857143 0.000000000 3.361426857 0 # molecule nr 957
|
|---|
| 1032 | Ion_Type3_286 17.142857143 0.000000000 6.218569714 0 # molecule nr 958
|
|---|
| 1033 | Ion_Type3_287 17.142857143 0.000000000 9.075712571 0 # molecule nr 959
|
|---|
| 1034 | Ion_Type3_288 17.142857143 0.000000000 11.932855429 0 # molecule nr 960
|
|---|
| 1035 | Ion_Type3_289 17.142857143 0.000000000 14.789998286 0 # molecule nr 961
|
|---|
| 1036 | Ion_Type3_290 17.142857143 0.000000000 17.647141143 0 # molecule nr 962
|
|---|
| 1037 | Ion_Type3_291 17.142857143 2.857142857 0.504284000 0 # molecule nr 963
|
|---|
| 1038 | Ion_Type3_292 17.142857143 2.857142857 3.361426857 0 # molecule nr 964
|
|---|
| 1039 | Ion_Type3_293 17.142857143 2.857142857 6.218569714 0 # molecule nr 965
|
|---|
| 1040 | Ion_Type3_294 17.142857143 2.857142857 9.075712571 0 # molecule nr 966
|
|---|
| 1041 | Ion_Type3_295 17.142857143 2.857142857 11.932855429 0 # molecule nr 967
|
|---|
| 1042 | Ion_Type3_296 17.142857143 2.857142857 14.789998286 0 # molecule nr 968
|
|---|
| 1043 | Ion_Type3_297 17.142857143 2.857142857 17.647141143 0 # molecule nr 969
|
|---|
| 1044 | Ion_Type3_298 17.142857143 5.714285714 0.504284000 0 # molecule nr 970
|
|---|
| 1045 | Ion_Type3_299 17.142857143 5.714285714 3.361426857 0 # molecule nr 971
|
|---|
| 1046 | Ion_Type3_300 17.142857143 5.714285714 6.218569714 0 # molecule nr 972
|
|---|
| 1047 | Ion_Type3_301 17.142857143 5.714285714 9.075712571 0 # molecule nr 973
|
|---|
| 1048 | Ion_Type3_302 17.142857143 5.714285714 11.932855429 0 # molecule nr 974
|
|---|
| 1049 | Ion_Type3_303 17.142857143 5.714285714 14.789998286 0 # molecule nr 975
|
|---|
| 1050 | Ion_Type3_304 17.142857143 5.714285714 17.647141143 0 # molecule nr 976
|
|---|
| 1051 | Ion_Type3_305 17.142857143 8.571428571 0.504284000 0 # molecule nr 977
|
|---|
| 1052 | Ion_Type3_306 17.142857143 8.571428571 3.361426857 0 # molecule nr 978
|
|---|
| 1053 | Ion_Type3_307 17.142857143 8.571428571 6.218569714 0 # molecule nr 979
|
|---|
| 1054 | Ion_Type3_308 17.142857143 8.571428571 9.075712571 0 # molecule nr 980
|
|---|
| 1055 | Ion_Type3_309 17.142857143 8.571428571 11.932855429 0 # molecule nr 981
|
|---|
| 1056 | Ion_Type3_310 17.142857143 8.571428571 14.789998286 0 # molecule nr 982
|
|---|
| 1057 | Ion_Type3_311 17.142857143 8.571428571 17.647141143 0 # molecule nr 983
|
|---|
| 1058 | Ion_Type3_312 17.142857143 11.428571429 0.504284000 0 # molecule nr 984
|
|---|
| 1059 | Ion_Type3_313 17.142857143 11.428571429 3.361426857 0 # molecule nr 985
|
|---|
| 1060 | Ion_Type3_314 17.142857143 11.428571429 6.218569714 0 # molecule nr 986
|
|---|
| 1061 | Ion_Type3_315 17.142857143 11.428571429 9.075712571 0 # molecule nr 987
|
|---|
| 1062 | Ion_Type3_316 17.142857143 11.428571429 11.932855429 0 # molecule nr 988
|
|---|
| 1063 | Ion_Type3_317 17.142857143 11.428571429 14.789998286 0 # molecule nr 989
|
|---|
| 1064 | Ion_Type3_318 17.142857143 11.428571429 17.647141143 0 # molecule nr 990
|
|---|
| 1065 | Ion_Type3_319 17.142857143 14.285714286 0.504284000 0 # molecule nr 991
|
|---|
| 1066 | Ion_Type3_320 17.142857143 14.285714286 3.361426857 0 # molecule nr 992
|
|---|
| 1067 | Ion_Type3_321 17.142857143 14.285714286 6.218569714 0 # molecule nr 993
|
|---|
| 1068 | Ion_Type3_322 17.142857143 14.285714286 9.075712571 0 # molecule nr 994
|
|---|
| 1069 | Ion_Type3_323 17.142857143 14.285714286 11.932855429 0 # molecule nr 995
|
|---|
| 1070 | Ion_Type3_324 17.142857143 14.285714286 14.789998286 0 # molecule nr 996
|
|---|
| 1071 | Ion_Type3_325 17.142857143 14.285714286 17.647141143 0 # molecule nr 997
|
|---|
| 1072 | Ion_Type3_326 17.142857143 17.142857143 0.504284000 0 # molecule nr 998
|
|---|
| 1073 | Ion_Type3_327 17.142857143 17.142857143 3.361426857 0 # molecule nr 999
|
|---|
| 1074 | Ion_Type3_328 17.142857143 17.142857143 6.218569714 0 # molecule nr 1000
|
|---|
| 1075 | Ion_Type3_329 17.142857143 17.142857143 9.075712571 0 # molecule nr 1001
|
|---|
| 1076 | Ion_Type3_330 17.142857143 17.142857143 11.932855429 0 # molecule nr 1002
|
|---|
| 1077 | Ion_Type3_331 17.142857143 17.142857143 14.789998286 0 # molecule nr 1003
|
|---|
