REMARK created by molecuilder on Sat Feb 12 16:48:42 2011 ATOM 1 O01 0wat 01 0.000 0.000 0.000 0.00 0.00 O 0 ATOM 2 H01 0wat 01 0.759 0.000 0.504 0.00 0.00 H 0 ATOM 3 H02 0wat 01 0.759 0.000 -0.504 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:37 2011, time step 1 ATOM 1 O01 0wat 01 0.005 0.000 -0.029 0.00 0.00 O 0 ATOM 2 H01 0wat 01 0.546 0.000 0.704 0.00 0.00 H 0 ATOM 3 H02 0wat 01 0.890 0.000 -0.243 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:38 2011, time step 2 ATOM 1 O01 0wat 01 0.011 0.000 -0.042 0.00 0.00 O 0 ATOM 2 H01 0wat 01 0.417 0.000 0.773 0.00 0.00 H 0 ATOM 3 H02 0wat 01 0.920 0.000 -0.099 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:38 2011, time step 3 ATOM 1 O01 0wat 01 0.019 0.000 -0.054 0.00 0.00 O 0 ATOM 2 H01 0wat 01 0.278 0.000 0.819 0.00 0.00 H 0 ATOM 3 H02 0wat 01 0.925 0.000 0.048 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:38 2011, time step 4 ATOM 1 O01 0wat 01 0.029 0.000 -0.064 0.00 0.00 O 0 ATOM 2 H01 0wat 01 0.133 0.000 0.840 0.00 0.00 H 0 ATOM 3 H02 0wat 01 0.904 0.000 0.193 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:39 2011, time step 5 ATOM 1 O01 0wat 01 0.041 0.000 -0.073 0.00 0.00 O 0 ATOM 2 H01 0wat 01 -0.013 0.000 0.836 0.00 0.00 H 0 ATOM 3 H02 0wat 01 0.858 0.000 0.333 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:39 2011, time step 6 ATOM 1 O01 0wat 01 0.054 0.000 -0.079 0.00 0.00 O 0 ATOM 2 H01 0wat 01 -0.157 0.000 0.807 0.00 0.00 H 0 ATOM 3 H02 0wat 01 0.789 0.000 0.462 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:40 2011, time step 7 ATOM 1 O01 0wat 01 0.068 0.000 -0.083 0.00 0.00 O 0 ATOM 2 H01 0wat 01 -0.293 0.000 0.753 0.00 0.00 H 0 ATOM 3 H02 0wat 01 0.698 0.000 0.578 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:40 2011, time step 8 ATOM 1 O01 0wat 01 0.083 0.000 -0.084 0.00 0.00 O 0 ATOM 2 H01 0wat 01 -0.418 0.000 0.676 0.00 0.00 H 0 ATOM 3 H02 0wat 01 0.588 0.000 0.676 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:41 2011, time step 9 ATOM 1 O01 0wat 01 0.098 0.000 -0.083 0.00 0.00 O 0 ATOM 2 H01 0wat 01 -0.528 0.000 0.579 0.00 0.00 H 0 ATOM 3 H02 0wat 01 0.463 0.000 0.753 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:41 2011, time step 10 ATOM 1 O01 0wat 01 0.112 0.000 -0.079 0.00 0.00 O 0 ATOM 2 H01 0wat 01 -0.619 0.000 0.464 0.00 0.00 H 0 ATOM 3 H02 0wat 01 0.327 0.000 0.807 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:41 2011, time step 11 ATOM 1 O01 0wat 01 0.125 0.000 -0.073 0.00 0.00 O 0 ATOM 2 H01 0wat 01 -0.689 0.000 0.335 0.00 0.00 H 0 ATOM 3 H02 0wat 01 0.183 0.000 0.837 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:42 2011, time step 12 ATOM 1 O01 0wat 01 0.137 0.000 -0.065 0.00 0.00 O 0 ATOM 2 H01 0wat 01 -0.735 0.000 0.196 0.00 0.00 H 0 ATOM 3 H02 0wat 01 0.036 0.000 0.842 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:42 2011, time step 13 ATOM 1 O01 0wat 01 0.148 0.000 -0.055 0.00 0.00 O 0 ATOM 2 H01 0wat 01 -0.757 0.000 0.051 0.00 0.00 H 0 ATOM 3 H02 0wat 01 -0.109 0.000 0.821 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:43 2011, time step 14 ATOM 1 O01 0wat 01 0.157 0.000 -0.043 0.00 0.00 O 0 ATOM 2 H01 0wat 01 -0.753 0.000 -0.096 0.00 0.00 H 0 ATOM 3 H02 0wat 01 -0.249 0.000 0.775 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:43 2011, time step 15 ATOM 1 O01 0wat 01 0.163 0.000 -0.030 0.00 0.00 O 0 ATOM 2 H01 0wat 01 -0.724 0.000 -0.240 0.00 0.00 H 0 ATOM 3 H02 0wat 01 -0.379 0.000 0.706 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:43 2011, time step 16 ATOM 1 O01 0wat 01 0.167 0.000 -0.016 0.00 0.00 O 0 ATOM 2 H01 0wat 01 -0.670 0.000 -0.377 0.00 0.00 H 0 ATOM 3 H02 0wat 01 -0.495 0.000 0.615 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:44 2011, time step 17 ATOM 1 O01 0wat 01 0.168 0.000 -0.001 0.00 0.00 O 0 ATOM 2 H01 0wat 01 -0.593 0.000 -0.502 0.00 0.00 H 0 ATOM 3 H02 0wat 01 -0.593 0.000 0.505 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:44 2011, time step 18 ATOM 1 O01 0wat 01 0.167 0.000 0.014 0.00 0.00 O 0 ATOM 2 H01 0wat 01 -0.496 0.000 -0.612 0.00 0.00 H 0 ATOM 3 H02 0wat 01 -0.671 0.000 0.380 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:45 2011, time step 19 ATOM 1 O01 0wat 01 0.163 0.000 0.028 0.00 0.00 O 0 ATOM 2 H01 0wat 01 -0.381 0.000 -0.703 0.00 0.00 H 0 ATOM 3 H02 0wat 01 -0.726 0.000 0.243 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:45 2011, time step 20 ATOM 1 O01 0wat 01 0.157 0.000 0.041 0.00 0.00 O 0 ATOM 2 H01 0wat 01 -0.252 0.000 -0.773 0.00 0.00 H 0 ATOM 3 H02 0wat 01 -0.756 0.000 0.099 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:45 2011, time step 21 ATOM 1 O01 0wat 01 0.149 0.000 0.053 0.00 0.00 O 0 ATOM 2 H01 0wat 01 -0.113 0.000 -0.819 0.00 0.00 H 0 ATOM 3 H02 0wat 01 -0.761 0.000 -0.048 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:46 2011, time step 22 ATOM 1 O01 0wat 01 0.139 0.000 0.064 0.00 0.00 O 0 ATOM 2 H01 0wat 01 0.032 0.000 -0.841 0.00 0.00 H 0 ATOM 3 H02 0wat 01 -0.740 0.000 -0.194 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:46 2011, time step 23 ATOM 1 O01 0wat 01 0.127 0.000 0.073 0.00 0.00 O 0 ATOM 2 H01 0wat 01 0.179 0.000 -0.837 0.00 0.00 H 0 ATOM 3 H02 0wat 01 -0.694 0.000 -0.334 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:47 2011, time step 24 ATOM 1 O01 0wat 01 0.114 0.000 0.079 0.00 0.00 O 0 ATOM 2 H01 0wat 01 0.323 0.000 -0.808 0.00 0.00 H 0 ATOM 3 H02 0wat 01 -0.624 0.000 -0.464 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:47 2011, time step 25 ATOM 1 O01 0wat 01 0.100 0.000 0.083 0.00 0.00 O 0 ATOM 2 H01 0wat 01 0.460 0.000 -0.754 0.00 0.00 H 0 ATOM 3 H02 0wat 01 -0.533 0.000 -0.580 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:47 2011, time step 26 ATOM 1 O01 0wat 01 0.085 0.000 0.084 0.00 0.00 O 0 ATOM 2 H01 0wat 01 0.585 0.000 -0.677 0.00 0.00 H 0 ATOM 3 H02 0wat 01 -0.423 0.000 -0.678 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:48 2011, time step 27 ATOM 1 O01 0wat 01 0.070 0.000 0.083 0.00 0.00 O 0 ATOM 2 H01 0wat 01 0.695 0.000 -0.580 0.00 0.00 H 0 ATOM 3 H02 0wat 01 -0.298 0.000 -0.756 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:48 2011, time step 28 ATOM 1 O01 0wat 01 0.056 0.000 0.079 0.00 0.00 O 0 ATOM 2 H01 0wat 01 0.786 0.000 -0.465 0.00 0.00 H 0 ATOM 3 H02 0wat 01 -0.161 0.000 -0.811 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:49 2011, time step 29 ATOM 1 O01 0wat 01 0.043 0.000 0.073 0.00 0.00 O 0 ATOM 2 H01 0wat 01 0.856 0.000 -0.336 0.00 0.00 H 0 ATOM 3 H02 0wat 01 -0.017 0.000 -0.841 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:49 2011, time step 30 ATOM 1 O01 0wat 01 0.031 0.000 0.065 0.00 0.00 O 0 ATOM 2 H01 0wat 01 0.902 0.000 -0.197 0.00 0.00 H 0 ATOM 3 H02 0wat 01 0.130 0.000 -0.846 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:49 2011, time step 31 ATOM 1 O01 0wat 01 0.020 0.000 0.055 0.00 0.00 O 0 ATOM 2 H01 0wat 01 0.924 0.000 -0.052 0.00 0.00 H 0 ATOM 3 H02 0wat 01 0.276 0.000 -0.825 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:50 2011, time step 32 ATOM 1 O01 0wat 01 0.011 0.000 0.043 0.00 0.00 O 0 ATOM 2 H01 0wat 01 0.920 0.000 0.094 0.00 0.00 H 0 ATOM 3 H02 0wat 01 0.416 0.000 -0.779 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:50 2011, time step 33 ATOM 1 O01 0wat 01 0.005 0.000 0.030 0.00 0.00 O 0 ATOM 2 H01 0wat 01 0.891 0.000 0.238 0.00 0.00 H 0 ATOM 3 H02 0wat 01 0.546 0.000 -0.710 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:51 2011, time step 34 ATOM 1 O01 0wat 01 0.001 0.000 0.016 0.00 0.00 O 0 ATOM 2 H01 0wat 01 0.837 0.000 0.374 0.00 0.00 H 0 ATOM 3 H02 0wat 01 0.662 0.000 -0.619 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Wed Feb 16 09:12:51 2011, time step 35 ATOM 1 O01 0wat 01 -0.000 0.000 0.001 0.00 0.00 O 0 ATOM 2 H01 0wat 01 0.761 0.000 0.499 0.00 0.00 H 0 ATOM 3 H02 0wat 01 0.761 0.000 -0.509 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END