0 mol 7 unq 0 iso 0 dist 8.81871 14.5403 6.0323 9.82794 5.96526 8.05125 7.89828 12.0771 15.7038 9.28571 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 7.62977 6.48194 5.62629 7.6314 5.55161 7.87739 11.1268 11.447 9.40104 8.03504 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.91858 12.1332 7.02351 12.722 5.4653 6.7939 20.4019 13.9009 12.5626 8.44695 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 8.91858 12.1332 7.02351 12.722 5.4653 6.7939 14.2641 8.66342 12.3241 5.68894 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 8.91858 12.1332 7.02351 8.50028 4.63063 6.85356 14.2641 8.66342 12.3241 7.32265 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 8.91858 14.2641 8.66342 12.722 5.4653 5.68894 12.1332 7.02351 12.3241 6.7939 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 8.91858 14.2641 8.66342 12.722 5.4653 5.68894 20.4019 13.9009 9.3197 8.44695 numMergedOcc 0
7 mol 73 unq 5 iso 0 dist 8.91858 14.2641 8.66342 8.50028 4.63063 7.32265 12.1332 7.02351 12.3241 6.85356 numMergedOcc 0
8 mol 73 unq 6 iso 0 dist 7.5442 14.2641 7.21285 12.722 7.09483 5.68894 12.1332 10.4593 12.3241 6.7939 numMergedOcc 0
9 mol 73 unq 7 iso 0 dist 7.5442 14.2641 7.21285 12.722 7.09483 5.68894 20.4019 14.8104 9.3197 8.44695 numMergedOcc 0
10 mol 73 unq 8 iso 0 dist 7.5442 14.2641 7.21285 8.50028 4.68175 7.32265 12.1332 10.4593 12.3241 6.85356 numMergedOcc 0
11 mol 99 unq 0 iso 0 dist 6.24473 5.77364 8.23566 14.2679 12.5118 9.39801 10.4509 11.1962 4.8794 6.02154 numMergedOcc 0
12 mol 99 unq 1 iso 0 dist 6.24473 5.77364 8.23566 5.57391 4.74328 4.82346 10.4509 11.1962 4.8794 8.07233 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 6.90904 7.587 6.89564 6.53862 5.32245 9.82274 8.82521 11.7472 10.1263 9.02712 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 9.91507 3.94348 9.21999 9.67331 10.6104 6.00896 12.8386 18.1155 10.0801 8.15734 numMergedOcc 0
15 mol 156 unq 0 iso 0 dist 8.22366 13.9009 6.47989 10.9908 4.68339 5.50879 11.549 9.91857 11.1396 6.69157 numMergedOcc 0
16 mol 211 unq 0 iso 0 dist 8.47937 14.8063 9.45365 18.1529 13.6185 8.66183 18.2159 14.6156 5.61401 9.26774 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 8.77267 5.4891 9.56271 9.70779 4.56028 8.08702 15.2237 14.3572 10.3111 9.984 numMergedOcc 0
18 mol 226 unq 0 iso 0 dist 9.29519 15.0399 9.05082 15.2674 12.3913 8.24741 17.8678 15.1102 8.0668 5.07958 numMergedOcc 0
19 mol 226 unq 1 iso 0 dist 9.29519 15.0399 9.05082 15.2674 12.3913 8.24741 11.7488 12.6814 12.401 6.19519 numMergedOcc 0
