0 mol 24 unq 0 iso 0 dist 9.90845 9.59761 8.86116 14.9821 8.60554 8.52463 5.78238 5.97304 6.60423 9.36461 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.90845 9.59761 8.86116 13.0288 8.44664 10.971 5.78238 5.97304 6.60423 11.9865 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 9.90845 9.59761 8.86116 18.8056 9.44691 13.4893 5.78238 5.97304 6.60423 14.4545 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 9.74445 10.323 8.80331 10.7304 8.95682 6.18002 15.1191 9.06158 9.93832 14.2655 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 9.74445 14.445 6.20293 10.7304 8.95682 8.38399 15.1191 9.06158 8.60739 14.2655 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 6.89722 10.4716 9.96396 11.5412 9.24757 5.11416 13.0088 8.26458 7.04044 6.48232 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 6.89722 5.2774 6.19304 11.5412 9.24757 6.56633 13.0088 8.26458 8.73253 6.48232 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 6.89722 13.9156 8.70481 11.5412 9.24757 15.3808 20.6347 14.8866 8.85586 17.0441 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 6.89722 13.9156 8.70481 11.5412 9.24757 15.3808 14.6904 8.05119 7.11 10.8937 numMergedOcc 0
9 mol 73 unq 4 iso 0 dist 7.26679 8.31041 9.96396 11.2253 9.24757 5.11416 10.5067 8.26458 7.04044 6.48232 numMergedOcc 0
10 mol 73 unq 5 iso 0 dist 7.26679 5.44275 6.19304 11.2253 9.24757 6.56633 10.5067 8.26458 8.73253 6.48232 numMergedOcc 0
11 mol 73 unq 6 iso 0 dist 7.26679 11.2674 8.70481 11.2253 9.24757 15.3808 17.0516 14.8866 8.85586 17.0441 numMergedOcc 0
12 mol 73 unq 7 iso 0 dist 7.26679 11.2674 8.70481 11.2253 9.24757 15.3808 12.9368 8.05119 7.11 10.8937 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 9.42766 14.0677 8.73993 13.1831 6.52773 7.20179 10.1832 3.78311 7.77116 8.8562 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 9.42766 14.0677 8.73993 6.34278 9.23858 9.89358 10.1832 3.78311 7.77116 7.91683 numMergedOcc 0
15 mol 126 unq 0 iso 0 dist 9.06961 9.07346 6.06638 4.43093 6.30546 6.0268 8.8359 5.5703 9.46588 5.94233 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 9.00898 5.96451 9.29945 10.5222 9.39352 7.27408 5.32236 4.24624 8.0154 9.71028 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 9.8711 4.90657 9.23153 4.39102 6.59716 7.11498 6.50846 6.17628 5.45036 5.37796 numMergedOcc 0
18 mol 220 unq 1 iso 0 dist 9.8711 4.90657 9.23153 4.39102 6.59716 7.11498 14.8113 14.0253 9.97586 15.9038 numMergedOcc 0
19 mol 222 unq 0 iso 0 dist 8.7347 8.81265 6.00706 15.9714 9.07471 7.75466 12.5498 6.42798 7.862 9.08955 numMergedOcc 0
20 mol 227 unq 0 iso 0 dist 9.17826 14.9329 7.22101 16.3489 7.43071 6.35849 13.4281 11.0628 8.38865 14.3567 numMergedOcc 0
21 mol 227 unq 1 iso 0 dist 9.17826 14.9329 7.22101 5.75236 5.41321 10.9607 13.4281 11.0628 8.38865 12.135 numMergedOcc 0
22 mol 227 unq 2 iso 0 dist 9.17826 13.2783 8.65997 16.3489 7.43071 10.204 13.4281 11.0628 5.4694 14.3567 numMergedOcc 0
23 mol 227 unq 3 iso 0 dist 9.17826 13.2783 8.65997 5.75236 5.41321 9.72615 13.4281 11.0628 5.4694 12.135 numMergedOcc 0
24 mol 227 unq 4 iso 0 dist 9.17826 11.4528 7.55216 16.3489 7.43071 9.32448 14.5658 10.6244 5.87815 11.5062 numMergedOcc 0
25 mol 227 unq 5 iso 0 dist 9.17826 11.4528 7.55216 5.75236 5.41321 6.48027 14.5658 10.6244 5.87815 11.0303 numMergedOcc 0
26 mol 227 unq 6 iso 0 dist 9.64299 7.69739 7.09863 9.17153 6.02296 6.35849 14.0932 12.9587 8.38865 14.3567 numMergedOcc 0
27 mol 229 unq 0 iso 0 dist 9.84492 11.9226 8.22528 10.8309 8.66332 6.65022 19.2949 11.6847 8.92743 13.9637 numMergedOcc 0
28 mol 248 unq 0 iso 0 dist 7.66519 6.42363 9.56569 5.81577 7.16525 4.30004 7.21518 6.71566 6.77954 7.97135 numMergedOcc 0
