0 mol 0 unq 0 iso 0 dist 9.23213 5.24778 8.34244 6.26831 4.04089 6.64713 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 6.36911 5.03847 9.97624 11.8684 17.4118 8.60435 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 9.36807 13.8829 9.97624 22.1274 17.4118 8.60435 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 8.47421 9.5997 9.57198 8.83269 6.81435 8.076 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 8.47421 9.5997 9.57198 15.5119 13.6861 6.32226 numMergedOcc 0
5 mol 19 unq 0 iso 0 dist 9.80108 9.32205 8.19695 14.5689 8.18566 7.46208 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 6.00439 6.42867 5.82366 7.48847 6.34272 6.39966 numMergedOcc 0
7 mol 19 unq 2 iso 0 dist 6.20943 4.64838 5.82366 10.1882 6.34272 6.39966 numMergedOcc 0
8 mol 19 unq 3 iso 0 dist 7.82528 4.97119 5.82366 6.92532 6.34272 6.39966 numMergedOcc 0
9 mol 19 unq 4 iso 0 dist 8.58657 13.0631 8.19695 16.2912 8.18566 7.46208 numMergedOcc 0
10 mol 27 unq 0 iso 0 dist 9.77484 14.3929 7.60283 19.9619 14.2471 7.45532 numMergedOcc 0
11 mol 45 unq 0 iso 0 dist 9.20119 10.7082 5.55096 13.2858 4.52443 8.80014 numMergedOcc 0
12 mol 45 unq 1 iso 0 dist 6.99408 13.4503 9.62637 13.9502 7.91752 9.32898 numMergedOcc 0
13 mol 45 unq 2 iso 0 dist 9.3403 10.6148 9.62637 15.174 7.91752 9.32898 numMergedOcc 0
14 mol 58 unq 0 iso 0 dist 8.81638 9.62267 7.6481 10.8014 5.36808 6.62229 numMergedOcc 0
15 mol 58 unq 1 iso 0 dist 8.63333 10.2049 9.11258 14.62 9.17656 6.62229 numMergedOcc 0
16 mol 58 unq 2 iso 0 dist 8.89374 5.49591 9.11258 10.9864 9.17656 6.62229 numMergedOcc 0
17 mol 58 unq 3 iso 0 dist 6.46761 5.85698 9.11258 7.27383 9.17656 6.62229 numMergedOcc 0
18 mol 58 unq 4 iso 0 dist 9.73139 12.2123 9.11258 12.5444 9.17656 6.62229 numMergedOcc 0
19 mol 73 unq 0 iso 0 dist 8.70133 5.11416 7.10439 7.04044 11.2505 6.48232 numMergedOcc 0
20 mol 73 unq 1 iso 0 dist 5.64598 8.44406 7.10439 13.1821 11.2505 6.48232 numMergedOcc 0
21 mol 73 unq 2 iso 0 dist 4.65521 6.56633 7.10439 8.73253 11.2505 6.48232 numMergedOcc 0
22 mol 76 unq 0 iso 0 dist 6.21982 4.85247 7.03226 11.2278 5.77727 9.75201 numMergedOcc 0
23 mol 76 unq 1 iso 0 dist 8.19682 6.45686 7.03226 7.27693 5.77727 9.75201 numMergedOcc 0
24 mol 100 unq 0 iso 0 dist 9.39469 9.36726 7.09065 16.8433 10.2428 9.5669 numMergedOcc 0
25 mol 100 unq 1 iso 0 dist 4.76815 7.16919 7.09065 10.8066 10.2428 9.5669 numMergedOcc 0
26 mol 114 unq 0 iso 0 dist 6.73814 13.7032 9.83981 14.3116 8.36453 9.35942 numMergedOcc 0
27 mol 114 unq 1 iso 0 dist 6.73814 13.7032 9.83981 20.2915 17.1979 7.42482 numMergedOcc 0
28 mol 115 unq 0 iso 0 dist 6.99777 5.22052 5.60389 5.74857 6.03931 8.85881 numMergedOcc 0
29 mol 119 unq 0 iso 0 dist 7.39889 5.92984 7.26955 12.8231 9.0892 9.9151 numMergedOcc 0
30 mol 119 unq 1 iso 0 dist 9.63176 15.5019 7.26955 17.1697 9.0892 9.9151 numMergedOcc 0
31 mol 119 unq 2 iso 0 dist 7.44174 10.314 7.26955 15.0262 9.0892 9.9151 numMergedOcc 0
32 mol 126 unq 0 iso 0 dist 7.75534 6.0268 7.36017 9.46588 5.83002 5.94233 numMergedOcc 0
33 mol 126 unq 1 iso 0 dist 7.75534 8.01268 5.14819 9.46588 5.83002 8.56219 numMergedOcc 0
34 mol 126 unq 2 iso 0 dist 9.06011 10.1326 7.36017 13.4223 5.83002 5.94233 numMergedOcc 0
35 mol 126 unq 3 iso 0 dist 9.06011 6.51507 5.14819 13.4223 5.83002 8.56219 numMergedOcc 0
36 mol 134 unq 0 iso 0 dist 8.79571 4.57832 8.73604 8.20836 9.65798 9.30061 numMergedOcc 0
37 mol 134 unq 1 iso 0 dist 5.42582 5.29786 8.73604 10.873 9.65798 9.30061 numMergedOcc 0
38 mol 134 unq 2 iso 0 dist 8.6355 5.71679 8.73604 13.846 9.65798 9.30061 numMergedOcc 0
39 mol 141 unq 0 iso 0 dist 6.93652 7.42649 5.26989 6.69515 8.00633 6.94988 numMergedOcc 0
40 mol 141 unq 1 iso 0 dist 9.54444 8.39549 5.26989 11.0888 8.00633 6.94988 numMergedOcc 0
41 mol 156 unq 0 iso 0 dist 7.36119 5.81563 6.05323 5.38091 5.33988 7.46845 numMergedOcc 0
42 mol 173 unq 0 iso 0 dist 7.93331 4.72839 6.64779 12.4422 10.2821 8.03528 numMergedOcc 0
43 mol 173 unq 1 iso 0 dist 6.98095 8.07089 6.64779 14.5628 10.2821 8.03528 numMergedOcc 0
44 mol 173 unq 2 iso 0 dist 8.31897 5.70743 6.64779 13.1902 10.2821 8.03528 numMergedOcc 0
45 mol 175 unq 0 iso 0 dist 9.52634 6.77832 8.99988 7.35824 6.05776 5.60528 numMergedOcc 0
46 mol 175 unq 1 iso 0 dist 9.52634 6.77832 8.99988 9.17364 5.85047 5.5995 numMergedOcc 0
47 mol 175 unq 2 iso 0 dist 9.8589 8.29015 5.4997 12.6297 5.95187 5.89564 numMergedOcc 0
48 mol 175 unq 3 iso 0 dist 9.8589 14.7282 6.99693 12.6297 5.95187 5.60528 numMergedOcc 0
49 mol 175 unq 4 iso 0 dist 9.8589 14.7282 6.99693 15.2721 5.46129 5.5995 numMergedOcc 0
50 mol 175 unq 5 iso 0 dist 7.24908 4.63177 5.4997 10.1905 5.95187 5.89564 numMergedOcc 0
51 mol 175 unq 6 iso 0 dist 7.24908 9.30597 6.99693 10.1905 5.95187 5.60528 numMergedOcc 0
52 mol 175 unq 7 iso 0 dist 7.24908 9.30597 6.99693 11.1503 5.46129 5.5995 numMergedOcc 0
53 mol 194 unq 0 iso 0 dist 6.95408 5.43725 9.86703 6.96521 4.05564 7.74683 numMergedOcc 0
54 mol 194 unq 1 iso 0 dist 9.57538 10.0597 9.86703 11.3758 4.05564 7.74683 numMergedOcc 0
55 mol 194 unq 2 iso 0 dist 9.2285 13.5246 9.86703 12.3049 4.05564 7.74683 numMergedOcc 0
56 mol 194 unq 3 iso 0 dist 7.58278 14.8824 9.86703 11.1778 4.05564 7.74683 numMergedOcc 0
57 mol 194 unq 4 iso 0 dist 5.48258 7.11753 8.52969 8.83356 7.69247 5.68348 numMergedOcc 0
58 mol 227 unq 0 iso 0 dist 8.83563 6.67321 9.28891 5.87815 4.3387 7.95359 numMergedOcc 0
59 mol 234 unq 0 iso 0 dist 9.39181 12.6661 7.22019 14.2988 5.3976 6.00582 numMergedOcc 0
60 mol 253 unq 0 iso 0 dist 7.19465 5.78064 9.58354 7.77998 14.5407 8.15091 numMergedOcc 0
61 mol 257 unq 0 iso 0 dist 7.27505 6.74593 8.60481 9.69696 5.04668 9.43042 numMergedOcc 0
