0 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 14.7759 9.68596 11.024 12.8323 9.87885 8.15894 10.1841 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 8.80762 12.3097 14.7759 9.68596 15.0497 12.8323 9.87885 8.45544 10.1841 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.86116 6.72502 6.58998 14.012 9.41441 11.5841 5.11636 7.95042 8.24948 10.0453 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.80331 9.93832 9.06158 6.18002 8.95682 14.2655 10.8828 10.0168 7.24352 12.8935 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 6.20293 8.60739 9.06158 8.38399 8.95682 14.2655 5.07458 10.0168 7.24352 12.8935 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 5.08437 7.26086 7.32662 7.06961 6.7117 8.43352 3.9764 5.10496 8.75597 3.94967 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 6.10456 7.26086 6.934 7.06961 4.47349 8.43352 3.9764 5.2571 8.75597 3.94967 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 8.73993 7.77116 3.78311 7.20179 6.52773 8.8562 6.9194 12.31 9.6121 12.8661 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 8.73993 7.77116 3.78311 7.20179 6.52773 8.8562 9.68677 7.64052 9.57341 5.37917 numMergedOcc 0
9 mol 119 unq 2 iso 0 dist 8.73993 7.77116 3.78311 9.89358 9.23858 7.91683 6.9194 12.31 9.6121 13.3563 numMergedOcc 0
10 mol 119 unq 3 iso 0 dist 8.73993 7.77116 3.78311 9.89358 9.23858 7.91683 9.68677 7.64052 9.57341 15.7711 numMergedOcc 0
11 mol 126 unq 0 iso 0 dist 6.06638 9.46588 5.5703 6.0268 6.30546 5.94233 10.7549 11.4624 8.66815 5.50104 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 7.12972 6.92648 9.32969 8.23791 9.90168 8.50562 8.57203 14.4508 6.78801 10.9311 numMergedOcc 0
13 mol 131 unq 1 iso 0 dist 6.85062 9.29384 9.32969 13.7237 9.90168 8.50562 12.6005 14.4508 6.78801 10.9311 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 8.94367 8.20836 9.4027 4.57832 6.23142 9.30061 16.4114 14.3561 8.48313 16.1483 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 8.94367 8.20836 9.4027 4.57832 6.23142 9.30061 12.8086 11.0808 6.99345 11.5269 numMergedOcc 0
16 mol 134 unq 2 iso 0 dist 8.94367 8.20836 9.4027 4.57832 6.23142 9.30061 7.41373 9.33094 5.11043 6.93712 numMergedOcc 0
17 mol 134 unq 3 iso 0 dist 9.86662 8.20836 5.12325 4.57832 9.94764 9.30061 16.4114 9.71716 8.48313 16.1483 numMergedOcc 0
18 mol 134 unq 4 iso 0 dist 9.86662 8.20836 5.12325 4.57832 9.94764 9.30061 12.8086 9.1998 6.99345 11.5269 numMergedOcc 0
19 mol 134 unq 5 iso 0 dist 9.86662 8.20836 5.12325 4.57832 9.94764 9.30061 7.41373 8.69531 5.11043 6.93712 numMergedOcc 0
20 mol 222 unq 0 iso 0 dist 6.00706 7.862 6.42798 7.75466 9.07471 9.08955 8.84507 6.74196 7.97027 4.67663 numMergedOcc 0
21 mol 222 unq 1 iso 0 dist 6.00706 7.862 6.42798 7.75466 9.07471 9.08955 8.67203 11.4707 6.81955 9.32357 numMergedOcc 0
22 mol 222 unq 2 iso 0 dist 6.00706 7.862 6.42798 7.75466 9.07471 9.08955 6.02502 8.36842 4.9876 6.37382 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 7.22101 8.38865 11.0628 6.35849 7.43071 14.3567 4.1511 9.91384 5.28771 10.5007 numMergedOcc 0
24 mol 227 unq 1 iso 0 dist 7.22101 8.38865 11.0628 10.9607 5.41321 12.135 4.1511 9.91384 5.28771 12.8337 numMergedOcc 0
25 mol 227 unq 2 iso 0 dist 8.65997 5.4694 11.0628 10.204 7.43071 14.3567 4.69247 9.91384 5.28771 10.5007 numMergedOcc 0
26 mol 227 unq 3 iso 0 dist 8.65997 5.4694 11.0628 9.72615 5.41321 12.135 4.69247 9.91384 5.28771 12.8337 numMergedOcc 0
27 mol 227 unq 4 iso 0 dist 7.55216 5.87815 10.6244 9.32448 7.43071 11.5062 5.73883 12.2073 9.71916 11.4945 numMergedOcc 0
28 mol 227 unq 5 iso 0 dist 7.55216 5.87815 10.6244 6.48027 5.41321 11.0303 5.73883 12.2073 9.71916 10.517 numMergedOcc 0
29 mol 227 unq 6 iso 0 dist 7.09863 8.38865 12.9587 6.35849 6.02296 14.3567 4.1511 10.3016 5.28771 10.5007 numMergedOcc 0
30 mol 229 unq 0 iso 0 dist 8.22528 8.92743 11.6847 6.65022 8.66332 13.9637 11.0437 16.8558 6.42694 16.4966 numMergedOcc 0
31 mol 229 unq 1 iso 0 dist 8.22528 8.92743 11.6847 6.65022 8.66332 13.9637 11.9989 16.8118 7.63917 15.2785 numMergedOcc 0
