0 mol 7 unq 0 iso 0 dist 5.77374 9.8603 5.70161 9.33944 8.0166 6.22805 13.8384 10.0158 5.72491 5.99355 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.57437 9.8603 4.57188 10.0257 9.67498 13.9815 13.8384 10.2615 5.72491 19.6283 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.57437 9.8603 4.57188 9.33944 9.32945 6.22805 13.8384 10.2615 5.72491 5.99355 numMergedOcc 0
3 mol 44 unq 0 iso 0 dist 7.85573 7.78905 6.07691 11.0282 8.23606 13.8654 7.37043 8.6578 7.52117 12.6735 numMergedOcc 0
4 mol 44 unq 1 iso 0 dist 6.21423 9.44909 6.07691 6.5318 8.23606 13.8654 6.36853 8.6578 7.52117 12.6735 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 5.58346 6.18305 5.2774 7.53682 5.39171 6.30194 11.4574 13.0088 8.73253 14.8714 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 9.10386 6.18305 5.44275 7.53682 9.27355 6.30194 11.4574 10.5067 8.73253 14.8714 numMergedOcc 0
7 mol 103 unq 0 iso 0 dist 6.67575 4.99966 6.35372 4.36597 7.57822 7.55805 5.71094 8.21549 9.44561 8.4354 numMergedOcc 0
8 mol 162 unq 0 iso 0 dist 8.77869 8.25167 6.71523 15.3374 8.954 15.2202 5.49559 7.34321 8.00506 12.1377 numMergedOcc 0
9 mol 212 unq 0 iso 0 dist 7.73701 8.062 9.7586 7.5418 9.26387 7.87125 11.009 13.6617 6.29767 13.7645 numMergedOcc 0
10 mol 212 unq 1 iso 0 dist 7.73701 8.062 9.7586 7.5418 9.26387 7.87125 12.2246 14.7241 8.74585 6.39716 numMergedOcc 0
11 mol 218 unq 0 iso 0 dist 6.2441 7.0843 9.92743 7.15853 4.61671 13.1458 5.77167 11.6289 6.29367 12.853 numMergedOcc 0
12 mol 218 unq 1 iso 0 dist 6.2441 7.0843 9.92743 7.15853 4.61671 13.1458 13.9605 17.4781 8.86175 19.9873 numMergedOcc 0
13 mol 218 unq 2 iso 0 dist 6.2441 7.0843 9.92743 5.7173 8.44004 12.1227 5.77167 11.6289 6.29367 9.05333 numMergedOcc 0
14 mol 218 unq 3 iso 0 dist 6.2441 7.0843 9.92743 5.7173 8.44004 12.1227 13.9605 17.4781 8.86175 19.2799 numMergedOcc 0
15 mol 218 unq 4 iso 0 dist 6.2441 7.73315 12.0573 7.15853 4.61671 14.0877 9.58139 15.5533 8.06216 15.2295 numMergedOcc 0
16 mol 218 unq 5 iso 0 dist 6.2441 7.73315 12.0573 7.15853 4.61671 14.0877 5.77167 11.6289 5.76954 12.853 numMergedOcc 0
17 mol 218 unq 6 iso 0 dist 6.2441 7.73315 12.0573 7.15853 4.61671 14.0877 13.9605 17.4781 6.29511 19.9873 numMergedOcc 0
18 mol 218 unq 7 iso 0 dist 6.2441 7.73315 12.0573 5.7173 8.44004 13.0264 9.58139 15.5533 8.06216 12.0973 numMergedOcc 0
19 mol 218 unq 8 iso 0 dist 6.2441 7.73315 12.0573 5.7173 8.44004 13.0264 5.77167 11.6289 5.76954 9.05333 numMergedOcc 0
20 mol 218 unq 9 iso 0 dist 6.2441 7.73315 12.0573 5.7173 8.44004 13.0264 13.9605 17.4781 6.29511 19.2799 numMergedOcc 0
21 mol 218 unq 10 iso 0 dist 6.2441 6.9398 8.31343 7.15853 4.61671 10.6908 5.77167 11.6289 9.20961 12.853 numMergedOcc 0
22 mol 218 unq 11 iso 0 dist 6.2441 6.9398 8.31343 5.7173 8.44004 12.5172 5.77167 11.6289 9.20961 9.05333 numMergedOcc 0
23 mol 257 unq 0 iso 0 dist 8.9297 9.83721 13.2456 4.65989 6.51449 12.12 11.6666 16.4574 9.69696 15.823 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 9.4886 5.73834 8.31011 12.1075 8.57305 14.6694 10.6333 17.6655 9.53063 22.5968 numMergedOcc 0
25 mol 264 unq 0 iso 0 dist 9.8799 7.36905 13.9464 4.93509 7.61232 10.9135 5.7394 9.66538 7.52281 5.04055 numMergedOcc 0
26 mol 264 unq 1 iso 0 dist 9.8799 6.83408 5.11257 4.93509 7.61232 6.80096 5.7394 9.66538 6.42588 5.04055 numMergedOcc 0
