0 mol 9 unq 0 iso 0 dist 8.47421 9.5997 9.57198 8.83269 6.81435 8.076 9.76038 12.7944 8.50424 7.05346 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.47421 9.5997 9.57198 15.5119 13.6861 6.32226 11.5235 14.4698 6.02809 7.9944 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 8.47421 9.5997 9.57198 15.5119 13.6861 6.32226 12.8474 14.4218 4.98827 7.032 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 6.00439 6.42867 5.82366 7.48847 6.34272 6.39966 10.8007 7.82528 4.97119 6.92532 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 6.00439 6.42867 5.82366 7.48847 6.34272 6.39966 10.6598 10.2708 6.01808 6.36455 numMergedOcc 0
5 mol 19 unq 2 iso 0 dist 6.20943 4.64838 5.82366 10.1882 6.34272 6.39966 7.83352 6.00439 6.42867 7.48847 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 6.20943 4.64838 5.82366 10.1882 6.34272 6.39966 7.67038 7.82528 4.97119 6.92532 numMergedOcc 0
7 mol 19 unq 4 iso 0 dist 6.20943 4.64838 5.82366 10.1882 6.34272 6.39966 10.3915 10.2708 6.01808 6.36455 numMergedOcc 0
8 mol 19 unq 5 iso 0 dist 7.82528 4.97119 5.82366 6.92532 6.34272 6.39966 10.8007 6.00439 6.42867 7.48847 numMergedOcc 0
9 mol 19 unq 6 iso 0 dist 7.82528 4.97119 5.82366 6.92532 6.34272 6.39966 5.03957 10.2708 6.01808 6.36455 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 8.81638 9.62267 7.6481 10.8014 5.36808 6.62229 10.026 10.5905 5.85698 7.27383 numMergedOcc 0
11 mol 58 unq 1 iso 0 dist 8.63333 10.2049 9.11258 14.62 9.17656 6.62229 10.8153 6.46761 5.85698 7.27383 numMergedOcc 0
12 mol 58 unq 2 iso 0 dist 8.89374 5.49591 9.11258 10.9864 9.17656 6.62229 8.62958 6.46761 5.85698 7.27383 numMergedOcc 0
13 mol 58 unq 3 iso 0 dist 9.73139 12.2123 9.11258 12.5444 9.17656 6.62229 6.47414 6.46761 5.85698 7.27383 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 8.70133 5.11416 7.10439 7.04044 11.2505 6.48232 5.4148 4.65521 6.56633 8.73253 numMergedOcc 0
15 mol 73 unq 1 iso 0 dist 5.64598 8.44406 7.10439 13.1821 11.2505 6.48232 7.4697 8.70133 5.11416 7.04044 numMergedOcc 0
16 mol 73 unq 2 iso 0 dist 5.64598 8.44406 7.10439 13.1821 11.2505 6.48232 5.7113 4.65521 6.56633 8.73253 numMergedOcc 0
17 mol 73 unq 3 iso 0 dist 4.65521 6.56633 7.10439 8.73253 11.2505 6.48232 5.4148 8.70133 5.11416 7.04044 numMergedOcc 0
18 mol 76 unq 0 iso 0 dist 6.21982 4.85247 7.03226 11.2278 5.77727 9.75201 10.2879 8.19682 6.45686 7.27693 numMergedOcc 0
19 mol 100 unq 0 iso 0 dist 9.39469 9.36726 7.09065 16.8433 10.2428 9.5669 17.9314 14.448 9.75737 7.12017 numMergedOcc 0
20 mol 100 unq 1 iso 0 dist 4.76815 7.16919 7.09065 10.8066 10.2428 9.5669 13.8729 14.448 9.75737 7.12017 numMergedOcc 0
21 mol 114 unq 0 iso 0 dist 6.73814 13.7032 9.83981 14.3116 8.36453 9.35942 14.154 10.6048 12.7083 6.34525 numMergedOcc 0
22 mol 114 unq 1 iso 0 dist 6.73814 13.7032 9.83981 20.2915 17.1979 7.42482 12.062 11.9994 7.12268 9.7918 numMergedOcc 0
23 mol 119 unq 0 iso 0 dist 7.39889 5.92984 7.26955 12.8231 9.0892 9.9151 8.61848 10.5042 7.45148 7.99623 numMergedOcc 0
24 mol 119 unq 1 iso 0 dist 9.63176 15.5019 7.26955 17.1697 9.0892 9.9151 17.2349 10.5042 7.45148 7.99623 numMergedOcc 0
25 mol 119 unq 2 iso 0 dist 7.44174 10.314 7.26955 15.0262 9.0892 9.9151 16.573 10.5042 7.45148 7.99623 numMergedOcc 0
26 mol 126 unq 0 iso 0 dist 9.06011 10.1326 7.36017 13.4223 5.83002 5.94233 7.12167 7.75534 6.0268 9.46588 numMergedOcc 0
27 mol 126 unq 1 iso 0 dist 9.06011 6.51507 5.14819 13.4223 5.83002 8.56219 7.12167 7.75534 8.01268 9.46588 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 8.79571 4.57832 8.73604 8.20836 9.65798 9.30061 5.62899 13.0121 7.1797 7.36779 numMergedOcc 0
29 mol 134 unq 1 iso 0 dist 5.42582 5.29786 8.73604 10.873 9.65798 9.30061 10.7144 13.0121 7.1797 7.36779 numMergedOcc 0
30 mol 134 unq 2 iso 0 dist 5.42582 5.29786 8.73604 10.873 9.65798 9.30061 5.49782 8.79571 4.57832 8.20836 numMergedOcc 0
31 mol 134 unq 3 iso 0 dist 8.6355 5.71679 8.73604 13.846 9.65798 9.30061 12.8168 13.0121 7.1797 7.36779 numMergedOcc 0
32 mol 134 unq 4 iso 0 dist 8.6355 5.71679 8.73604 13.846 9.65798 9.30061 8.80819 8.79571 4.57832 8.20836 numMergedOcc 0
33 mol 141 unq 0 iso 0 dist 6.93652 7.42649 5.26989 6.69515 8.00633 6.94988 6.21253 11.8898 9.43674 7.86572 numMergedOcc 0
34 mol 141 unq 1 iso 0 dist 9.54444 8.39549 5.26989 11.0888 8.00633 6.94988 5.67306 6.93652 7.42649 6.69515 numMergedOcc 0
35 mol 141 unq 2 iso 0 dist 9.54444 8.39549 5.26989 11.0888 8.00633 6.94988 7.11954 11.8898 9.43674 7.86572 numMergedOcc 0
36 mol 175 unq 0 iso 0 dist 9.8589 8.29015 5.4997 12.6297 5.95187 5.89564 19.6867 11.8821 11.8693 7.35824 numMergedOcc 0
37 mol 175 unq 1 iso 0 dist 9.8589 14.7282 6.99693 12.6297 5.95187 5.60528 19.6867 11.8821 6.77832 7.35824 numMergedOcc 0
38 mol 175 unq 2 iso 0 dist 9.8589 14.7282 6.99693 15.2721 5.46129 5.5995 19.6867 11.8821 6.77832 9.17364 numMergedOcc 0
39 mol 175 unq 3 iso 0 dist 7.24908 4.63177 5.4997 10.1905 5.95187 5.89564 15.5713 11.8821 11.8693 7.35824 numMergedOcc 0
40 mol 175 unq 4 iso 0 dist 7.24908 9.30597 6.99693 10.1905 5.95187 5.60528 15.5713 11.8821 6.77832 7.35824 numMergedOcc 0
41 mol 175 unq 5 iso 0 dist 7.24908 9.30597 6.99693 11.1503 5.46129 5.5995 15.5713 11.8821 6.77832 9.17364 numMergedOcc 0
42 mol 194 unq 0 iso 0 dist 9.57538 10.0597 9.86703 11.3758 4.05564 7.74683 8.2172 6.95408 5.43725 6.96521 numMergedOcc 0
43 mol 194 unq 1 iso 0 dist 9.2285 13.5246 9.86703 12.3049 4.05564 7.74683 10.5623 6.95408 5.43725 6.96521 numMergedOcc 0
44 mol 194 unq 2 iso 0 dist 7.58278 14.8824 9.86703 11.1778 4.05564 7.74683 11.7618 6.95408 5.43725 6.96521 numMergedOcc 0
45 mol 194 unq 3 iso 0 dist 5.48258 7.11753 8.52969 8.83356 7.69247 5.68348 14.6506 12.1599 11.6598 6.26839 numMergedOcc 0
46 mol 194 unq 4 iso 0 dist 5.48258 7.11753 8.52969 8.83356 7.69247 5.68348 13.5632 13.8412 12.0887 8.12346 numMergedOcc 0
47 mol 194 unq 5 iso 0 dist 5.48258 7.11753 8.52969 8.83356 7.69247 5.68348 11.6097 10.3975 12.8755 8.2654 numMergedOcc 0
