0 mol 43 unq 0 iso 0 dist 9.34433 6.84521 12.3867 5.9674 7.32913 12.0317 5.84171 13.3384 5.73819 9.92508 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 9.34433 8.90024 12.0037 5.9674 7.32913 12.0919 13.9129 19.9708 8.80331 17.4032 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 9.34433 8.90024 12.0037 5.9674 7.32913 12.0919 5.84171 13.3384 6.20293 9.92508 numMergedOcc 0
3 mol 43 unq 3 iso 0 dist 9.34433 6.78532 6.9067 5.9674 7.32913 9.47348 5.84171 13.3384 8.93915 9.92508 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 8.71324 9.56181 9.73304 10.7791 8.86433 16.8033 7.70414 9.10915 9.67592 14.8927 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 9.5663 9.56181 5.59762 12.0987 5.66803 9.21546 7.70414 5.54343 9.67592 5.9853 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 9.93275 9.29446 9.54341 5.64101 9.86325 5.68286 11.2307 13.2707 7.9245 5.73349 numMergedOcc 0
7 mol 94 unq 0 iso 0 dist 6.63924 6.31237 6.0901 4.48902 9.25496 10.0945 6.26149 11.1445 7.89459 6.82669 numMergedOcc 0
8 mol 102 unq 0 iso 0 dist 7.90927 8.84131 9.9427 11.8843 8.03869 17.5393 8.90571 13.5476 7.36792 19.4384 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 9.18707 8.64107 5.74878 10.4327 8.80824 9.70616 4.82909 6.09472 4.99221 6.80053 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 9.18707 8.64107 5.74878 5.31483 9.67606 9.28214 4.82909 6.09472 4.99221 4.45342 numMergedOcc 0
11 mol 115 unq 2 iso 0 dist 9.18707 9.50575 11.7723 10.4327 8.80824 17.8957 6.68557 12.9952 5.11551 16.7934 numMergedOcc 0
12 mol 115 unq 3 iso 0 dist 9.18707 9.50575 11.7723 5.31483 9.67606 14.3348 6.68557 12.9952 5.11551 11.8582 numMergedOcc 0
13 mol 115 unq 4 iso 0 dist 5.91786 8.64107 7.09627 5.31483 9.41083 9.28214 4.82909 6.20658 4.99221 4.45342 numMergedOcc 0
14 mol 115 unq 5 iso 0 dist 5.91786 9.50575 7.10772 5.31483 9.41083 14.3348 6.68557 7.83568 5.11551 11.8582 numMergedOcc 0
15 mol 209 unq 0 iso 0 dist 9.20752 5.92907 9.95971 9.95813 9.07668 11.1427 5.35615 11.2774 7.56373 7.01489 numMergedOcc 0
16 mol 236 unq 0 iso 0 dist 5.46484 8.95071 6.49831 5.81446 7.74348 5.90804 18.4732 16.3801 9.99038 13.6195 numMergedOcc 0
17 mol 236 unq 1 iso 0 dist 5.46484 8.95071 6.49831 5.81446 7.74348 5.90804 12.8358 12.2331 6.27581 7.45579 numMergedOcc 0
18 mol 241 unq 0 iso 0 dist 7.16232 6.90245 7.93809 7.52886 7.26758 12.8359 5.3674 6.40592 7.4631 7.3737 numMergedOcc 0
19 mol 261 unq 0 iso 0 dist 6.93654 9.80409 13.3163 4.95392 7.58385 13.5435 4.63237 11.3146 9.14619 6.79406 numMergedOcc 0
20 mol 261 unq 1 iso 0 dist 6.93654 9.80409 13.3163 4.95392 7.58385 13.5435 6.39263 8.50313 8.45658 6.88989 numMergedOcc 0
21 mol 261 unq 2 iso 0 dist 6.93654 9.80409 13.3163 6.94755 6.0437 12.1908 4.63237 11.3146 9.14619 9.25465 numMergedOcc 0
22 mol 261 unq 3 iso 0 dist 6.93654 9.80409 13.3163 6.94755 6.0437 12.1908 6.39263 8.50313 8.45658 4.25662 numMergedOcc 0
23 mol 261 unq 4 iso 0 dist 9.66298 9.80409 13.6041 6.94755 4.85199 12.1908 4.63237 13.063 9.14619 9.25465 numMergedOcc 0
24 mol 261 unq 5 iso 0 dist 9.66298 9.80409 13.6041 6.94755 4.85199 12.1908 6.39263 7.6414 8.45658 4.25662 numMergedOcc 0
25 mol 261 unq 6 iso 0 dist 9.66298 9.80409 13.6041 17.3605 9.72159 20.1172 4.63237 13.063 9.14619 19.1495 numMergedOcc 0
26 mol 261 unq 7 iso 0 dist 9.66298 9.80409 13.6041 17.3605 9.72159 20.1172 6.39263 7.6414 8.45658 12.864 numMergedOcc 0
