REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 0 ATOM 1 O01 0wat 01 5.000 5.000 5.000 0.00 0.00 O 0 ATOM 2 H01 0wat 01 5.759 5.000 5.504 0.00 0.00 H 0 ATOM 3 H02 0wat 01 5.759 5.000 4.496 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 1 ATOM 1 O01 0wat 01 5.005 5.000 4.971 0.00 0.00 O 0 ATOM 2 H01 0wat 01 5.546 5.000 5.704 0.00 0.00 H 0 ATOM 3 H02 0wat 01 5.890 5.000 4.757 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 2 ATOM 1 O01 0wat 01 5.011 5.000 4.958 0.00 0.00 O 0 ATOM 2 H01 0wat 01 5.417 5.000 5.773 0.00 0.00 H 0 ATOM 3 H02 0wat 01 5.920 5.000 4.901 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 3 ATOM 1 O01 0wat 01 5.019 5.000 4.946 0.00 0.00 O 0 ATOM 2 H01 0wat 01 5.278 5.000 5.819 0.00 0.00 H 0 ATOM 3 H02 0wat 01 5.925 5.000 5.048 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 4 ATOM 1 O01 0wat 01 5.029 5.000 4.936 0.00 0.00 O 0 ATOM 2 H01 0wat 01 5.133 5.000 5.840 0.00 0.00 H 0 ATOM 3 H02 0wat 01 5.904 5.000 5.193 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 5 ATOM 1 O01 0wat 01 5.041 5.000 4.927 0.00 0.00 O 0 ATOM 2 H01 0wat 01 4.987 5.000 5.836 0.00 0.00 H 0 ATOM 3 H02 0wat 01 5.858 5.000 5.333 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 6 ATOM 1 O01 0wat 01 5.054 5.000 4.921 0.00 0.00 O 0 ATOM 2 H01 0wat 01 4.843 5.000 5.807 0.00 0.00 H 0 ATOM 3 H02 0wat 01 5.789 5.000 5.462 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 7 ATOM 1 O01 0wat 01 5.068 5.000 4.917 0.00 0.00 O 0 ATOM 2 H01 0wat 01 4.707 5.000 5.753 0.00 0.00 H 0 ATOM 3 H02 0wat 01 5.698 5.000 5.578 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 8 ATOM 1 O01 0wat 01 5.083 5.000 4.916 0.00 0.00 O 0 ATOM 2 H01 0wat 01 4.582 5.000 5.676 0.00 0.00 H 0 ATOM 3 H02 0wat 01 5.588 5.000 5.676 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 9 ATOM 1 O01 0wat 01 5.098 5.000 4.917 0.00 0.00 O 0 ATOM 2 H01 0wat 01 4.472 5.000 5.579 0.00 0.00 H 0 ATOM 3 H02 0wat 01 5.463 5.000 5.753 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 10 ATOM 1 O01 0wat 01 5.112 5.000 4.921 0.00 0.00 O 0 ATOM 2 H01 0wat 01 4.381 5.000 5.464 0.00 0.00 H 0 ATOM 3 H02 0wat 01 5.327 5.000 5.807 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 11 ATOM 1 O01 0wat 01 5.125 5.000 4.927 0.00 0.00 O 0 ATOM 2 H01 0wat 01 4.311 5.000 5.335 0.00 0.00 H 0 ATOM 3 H02 0wat 01 5.183 5.000 5.837 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 12 ATOM 1 O01 0wat 01 5.137 5.000 4.935 0.00 0.00 O 0 ATOM 2 H01 0wat 01 4.265 5.000 5.196 0.00 0.00 H 0 ATOM 3 H02 0wat 01 5.036 5.000 5.842 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 13 ATOM 1 O01 0wat 01 5.148 5.000 4.945 0.00 0.00 O 0 ATOM 2 H01 0wat 01 4.243 5.000 5.051 0.00 0.00 H 0 ATOM 3 H02 0wat 01 4.891 5.000 5.821 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 14 ATOM 1 O01 0wat 01 5.157 5.000 4.957 0.00 0.00 O 0 ATOM 2 H01 0wat 01 4.247 5.000 4.904 0.00 0.00 H 0 ATOM 3 H02 0wat 01 4.751 5.000 5.775 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 15 ATOM 1 O01 0wat 01 5.163 5.000 4.970 0.00 0.00 O 0 ATOM 2 H01 0wat 01 4.276 5.000 4.760 0.00 0.00 H 0 ATOM 3 H02 0wat 01 4.621 5.000 5.706 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 16 ATOM 1 O01 0wat 01 5.167 5.000 4.984 0.00 0.00 O 0 ATOM 2 H01 0wat 01 4.330 5.000 4.623 0.00 0.00 H 0 ATOM 3 H02 0wat 01 4.505 5.000 5.615 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 17 ATOM 1 O01 0wat 01 5.168 5.000 4.999 0.00 0.00 O 0 ATOM 2 H01 0wat 01 4.407 5.000 4.498 0.00 0.00 H 0 ATOM 3 H02 0wat 01 4.407 5.000 5.505 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 18 ATOM 1 O01 0wat 01 5.167 5.000 5.014 0.00 0.00 O 0 ATOM 2 H01 0wat 01 4.504 5.000 4.388 0.00 0.00 H 0 ATOM 3 H02 0wat 01 4.329 5.000 5.380 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 19 ATOM 1 O01 0wat 01 5.163 5.000 5.028 0.00 0.00 O 0 ATOM 2 H01 0wat 01 4.619 5.000 4.297 0.00 0.00 H 0 ATOM 3 H02 0wat 01 4.274 5.000 5.243 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 20 ATOM 1 O01 0wat 01 5.157 5.000 5.041 0.00 0.00 O 0 ATOM 2 H01 0wat 01 4.748 5.000 4.227 0.00 0.00 H 0 ATOM 3 H02 0wat 01 4.244 5.000 5.099 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 21 ATOM 1 O01 0wat 01 5.149 5.000 5.053 0.00 0.00 O 0 ATOM 2 H01 0wat 01 4.887 5.000 4.181 0.00 0.00 H 0 ATOM 3 H02 0wat 01 4.239 5.000 4.952 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 22 ATOM 1 O01 0wat 01 5.139 5.000 5.064 0.00 0.00 O 0 ATOM 2 H01 0wat 01 5.032 5.000 4.159 0.00 0.00 H 0 ATOM 3 H02 0wat 01 4.260 5.000 4.806 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 23 ATOM 1 O01 0wat 01 5.127 5.000 5.073 0.00 0.00 O 0 ATOM 2 H01 0wat 01 5.179 5.000 4.163 0.00 0.00 H 0 ATOM 3 H02 0wat 01 4.306 5.000 4.666 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 24 ATOM 1 O01 0wat 01 5.114 5.000 5.079 0.00 0.00 O 0 ATOM 2 H01 0wat 01 5.323 5.000 4.192 0.00 0.00 H 0 ATOM 3 H02 0wat 01 4.376 5.000 4.536 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 25 ATOM 1 O01 0wat 01 5.100 5.000 5.083 0.00 0.00 O 0 ATOM 2 H01 0wat 01 5.460 5.000 4.246 0.00 0.00 H 0 ATOM 3 H02 0wat 01 4.467 5.000 4.420 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 26 ATOM 1 O01 0wat 01 5.085 5.000 5.084 0.00 0.00 O 0 ATOM 2 H01 0wat 01 5.585 5.000 4.323 0.00 0.00 H 0 ATOM 3 H02 0wat 01 4.577 5.000 4.322 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 27 ATOM 1 O01 0wat 01 5.070 5.000 5.083 0.00 0.00 O 0 ATOM 2 H01 0wat 01 5.695 5.000 4.420 0.00 0.00 H 0 ATOM 3 H02 0wat 01 4.702 5.000 4.244 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 28 ATOM 1 O01 0wat 01 5.056 5.000 5.079 0.00 0.00 O 0 ATOM 2 H01 0wat 01 5.786 5.000 4.535 0.00 0.00 H 0 ATOM 3 H02 0wat 01 4.839 5.000 4.189 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 29 ATOM 1 O01 0wat 01 5.043 5.000 5.073 0.00 0.00 O 0 ATOM 2 H01 0wat 01 5.856 5.000 4.664 0.00 0.00 H 0 ATOM 3 H02 0wat 01 4.983 5.000 4.159 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 30 ATOM 1 O01 0wat 01 5.031 5.000 5.065 0.00 0.00 O 0 ATOM 2 H01 0wat 01 5.902 5.000 4.803 0.00 0.00 H 0 ATOM 3 H02 0wat 01 5.130 5.000 4.154 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 31 ATOM 1 O01 0wat 01 5.020 5.000 5.055 0.00 0.00 O 0 ATOM 2 H01 0wat 01 5.924 5.000 4.948 0.00 0.00 H 0 ATOM 3 H02 0wat 01 5.276 5.000 4.175 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 32 ATOM 1 O01 0wat 01 5.011 5.000 5.043 0.00 0.00 O 0 ATOM 2 H01 0wat 01 5.920 5.000 5.094 0.00 0.00 H 0 ATOM 3 H02 0wat 01 5.416 5.000 4.221 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 33 ATOM 1 O01 0wat 01 5.005 5.000 5.030 0.00 0.00 O 0 ATOM 2 H01 0wat 01 5.891 5.000 5.238 0.00 0.00 H 0 ATOM 3 H02 0wat 01 5.546 5.000 4.290 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 34 ATOM 1 O01 0wat 01 5.001 5.000 5.016 0.00 0.00 O 0 ATOM 2 H01 0wat 01 5.837 5.000 5.374 0.00 0.00 H 0 ATOM 3 H02 0wat 01 5.662 5.000 4.381 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END REMARK created by molecuilder on Mon Jan 9 18:20:58 2012, time step 35 ATOM 1 O01 0wat 01 5.000 5.000 5.001 0.00 0.00 O 0 ATOM 2 H01 0wat 01 5.761 5.000 5.499 0.00 0.00 H 0 ATOM 3 H02 0wat 01 5.761 5.000 4.491 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END