0 mol 8 unq 0 iso 0 dist 5.89089 6.32494 6.82379 13.6052 12.4076 7.3915 9.9848 10.9634 7.43529 8.96553 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.78638 6.32494 6.24978 13.6052 9.22548 7.3915 9.9848 12.9396 7.43529 8.96553 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.46842 5.85389 6.90155 9.14728 10.6808 5.81959 13.2677 12.4135 7.63409 7.31767 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.46842 5.85389 6.90155 9.14728 10.6808 5.81959 13.7276 11.6743 8.4666 6.03987 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 9.73896 11.1814 6.06454 6.96797 5.24762 9.44459 5.84852 6.43774 5.73693 7.2846 numMergedOcc 0
5 mol 45 unq 1 iso 0 dist 9.73896 11.1814 6.06454 6.96797 5.24762 9.44459 6.5822 11.2563 11.6164 7.58835 numMergedOcc 0
6 mol 45 unq 2 iso 0 dist 6.96797 11.1814 9.44459 9.73896 5.24762 6.06454 5.84852 7.2846 5.73693 6.43774 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 7.28058 11.8984 5.16364 13.3369 8.07446 8.85586 20.9517 16.0098 14.8866 8.70481 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 7.49404 10.7835 8.86329 10.6353 5.55373 8.71039 7.91807 8.40312 5.89022 7.12972 numMergedOcc 0
9 mol 131 unq 1 iso 0 dist 6.44766 13.6401 9.29384 12.0425 6.63273 6.92648 7.69184 6.85062 9.32969 7.12972 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 5.47189 9.40342 7.20574 10.1325 5.74635 6.85302 5.48717 7.54065 8.90184 8.87694 numMergedOcc 0
11 mol 186 unq 1 iso 0 dist 5.47189 9.40342 7.20574 10.1325 5.74635 6.85302 11.9142 10.7914 4.37002 9.09754 numMergedOcc 0
12 mol 186 unq 2 iso 0 dist 6.20985 8.93951 7.24795 17.2884 13.684 8.64409 17.4032 16.9992 9.97575 9.09754 numMergedOcc 0
13 mol 186 unq 3 iso 0 dist 7.69466 5.99908 7.24795 14.5515 13.684 8.64409 13.3078 16.9992 9.97575 9.09754 numMergedOcc 0
14 mol 229 unq 0 iso 0 dist 9.68636 7.82856 8.92743 11.9461 7.0298 5.77318 10.6555 11.6115 7.7339 9.87838 numMergedOcc 0
15 mol 234 unq 0 iso 0 dist 6.0328 5.15304 7.56091 10.0573 8.59858 8.24186 12.199 14.186 11.7705 8.34494 numMergedOcc 0
16 mol 234 unq 1 iso 0 dist 6.0328 5.15304 7.56091 10.0573 8.59858 8.24186 6.48163 9.45579 5.63086 6.56247 numMergedOcc 0
17 mol 234 unq 2 iso 0 dist 6.0328 5.15304 7.56091 10.0573 8.59858 8.24186 10.6392 12.4862 5.6819 9.36357 numMergedOcc 0
18 mol 234 unq 3 iso 0 dist 6.0328 5.15304 7.56091 11.5446 9.82284 7.5366 6.48163 9.45579 5.63086 9.45496 numMergedOcc 0
19 mol 234 unq 4 iso 0 dist 6.0328 5.15304 7.56091 11.5446 9.82284 7.5366 10.6392 12.4862 5.6819 6.7625 numMergedOcc 0
20 mol 234 unq 5 iso 0 dist 8.58958 14.2602 8.24186 7.17987 5.88703 7.5366 14.7629 6.56247 5.63086 9.45496 numMergedOcc 0
21 mol 234 unq 6 iso 0 dist 8.58958 14.2602 8.24186 7.17987 5.88703 7.5366 13.5847 9.36357 5.6819 6.7625 numMergedOcc 0
22 mol 234 unq 7 iso 0 dist 9.70004 17.7658 8.24186 13.9487 5.88703 7.5366 14.3229 6.56247 5.63086 9.45496 numMergedOcc 0
23 mol 234 unq 8 iso 0 dist 9.70004 17.7658 8.24186 13.9487 5.88703 7.5366 17.5883 9.36357 5.6819 6.7625 numMergedOcc 0
24 mol 234 unq 9 iso 0 dist 7.17987 14.2602 7.5366 8.58958 5.88703 8.24186 16.0172 12.9605 11.7705 8.34494 numMergedOcc 0
25 mol 234 unq 10 iso 0 dist 7.17987 14.2602 7.5366 8.58958 5.88703 8.24186 14.7629 9.45496 5.63086 6.56247 numMergedOcc 0
26 mol 234 unq 11 iso 0 dist 7.17987 14.2602 7.5366 8.58958 5.88703 8.24186 13.5847 6.7625 5.6819 9.36357 numMergedOcc 0
27 mol 258 unq 0 iso 0 dist 9.80417 9.31209 6.70815 15.1916 7.26417 7.99477 10.759 6.60405 7.42673 6.42289 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 9.89728 9.80192 8.55558 14.0886 9.98105 8.59697 15.9608 11.858 7.31951 5.30224 numMergedOcc 0
29 mol 264 unq 0 iso 0 dist 8.43682 7.79077 6.04162 6.20796 4.92077 6.14323 6.9758 13.4025 13.0621 9.17653 numMergedOcc 0
