0 mol 58 unq 0 iso 0 dist 8.52969 7.04193 11.6716 11.6772 6.81627 17.1486 12.9126 8.26899 18.0433 5.98837 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 8.52969 7.04193 11.6716 9.0406 7.32874 15.108 12.9126 8.26899 18.0433 4.55117 numMergedOcc 0
2 mol 58 unq 2 iso 0 dist 8.52969 7.04193 11.6716 4.98107 9.55426 11.9025 12.9126 8.26899 18.0433 10.3782 numMergedOcc 0
3 mol 58 unq 3 iso 0 dist 8.52969 7.15486 10.6169 11.6772 6.81627 15.2973 12.9126 8.26899 13.7148 5.98837 numMergedOcc 0
4 mol 58 unq 4 iso 0 dist 8.52969 7.15486 10.6169 9.0406 7.32874 11.396 12.9126 8.26899 13.7148 4.55117 numMergedOcc 0
5 mol 58 unq 5 iso 0 dist 8.52969 7.15486 10.6169 4.98107 9.55426 9.4099 12.9126 8.26899 13.7148 10.3782 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 8.97292 6.85083 9.49235 7.2878 6.85766 11.9709 9.55542 6.71911 9.84864 7.29033 numMergedOcc 0
7 mol 59 unq 1 iso 0 dist 8.97292 6.85083 9.49235 14.1347 7.71095 13.9238 9.55542 6.71911 9.84864 5.33688 numMergedOcc 0
8 mol 70 unq 0 iso 0 dist 9.74268 7.95122 5.22626 6.95018 9.65964 10.1773 10.7301 7.92394 8.33704 6.65811 numMergedOcc 0
9 mol 70 unq 1 iso 0 dist 9.74268 7.95122 5.22626 6.95018 9.65964 10.1773 11.7565 9.93423 11.6205 5.47516 numMergedOcc 0
10 mol 70 unq 2 iso 0 dist 9.74268 7.95122 5.22626 6.95018 9.65964 10.1773 12.3296 9.34122 13.4942 11.0952 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 9.26343 9.91446 13.8729 13.666 6.45675 18.696 11.6898 8.72704 14.4345 7.2495 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 9.26343 9.91446 13.8729 16.4386 7.47343 19.3587 11.6898 8.72704 14.4345 10.1589 numMergedOcc 0
13 mol 100 unq 2 iso 0 dist 9.26343 9.91446 13.8729 15.5646 8.86688 22.0839 11.6898 8.72704 14.4345 15.9331 numMergedOcc 0
14 mol 114 unq 0 iso 0 dist 5.87387 6.06543 5.59517 6.4595 7.5732 10.1027 6.2394 8.71128 7.52743 5.80557 numMergedOcc 0
15 mol 114 unq 1 iso 0 dist 6.06543 5.87387 5.59517 5.51609 7.35754 10.1937 6.2394 7.52743 8.71128 4.77056 numMergedOcc 0
16 mol 131 unq 0 iso 0 dist 9.69757 9.64856 11.0599 6.82985 7.12972 13.724 12.4356 8.6243 16.8701 6.19596 numMergedOcc 0
17 mol 131 unq 1 iso 0 dist 9.69757 6.38977 5.55373 6.82985 7.12972 8.40312 12.4356 8.6243 12.5969 6.19596 numMergedOcc 0
18 mol 132 unq 0 iso 0 dist 9.0339 8.48641 4.35917 15.9368 7.7059 11.5751 9.29705 6.03703 7.61505 9.92344 numMergedOcc 0
19 mol 132 unq 1 iso 0 dist 9.0339 6.23573 13.624 15.9368 7.7059 20.7565 9.29705 6.03703 15.312 9.92344 numMergedOcc 0
20 mol 156 unq 0 iso 0 dist 7.80643 7.39961 5.76755 6.52984 7.44554 10.4649 5.58352 9.36805 8.47155 6.29785 numMergedOcc 0
21 mol 175 unq 0 iso 0 dist 8.50904 7.04318 6.2715 8.09861 9.0018 5.6234 14.6248 9.31887 12.816 11.0415 numMergedOcc 0
22 mol 175 unq 1 iso 0 dist 8.50904 7.04318 6.2715 10.1323 7.652 9.92231 14.6248 9.31887 12.816 5.0384 numMergedOcc 0
23 mol 175 unq 2 iso 0 dist 7.04318 8.50904 6.2715 8.09861 5.6234 9.0018 6.61225 9.0664 10.689 5.28109 numMergedOcc 0
24 mol 175 unq 3 iso 0 dist 7.04318 8.50904 6.2715 10.1323 9.92231 7.652 6.61225 9.0664 10.689 7.14477 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 6.96824 9.25528 11.9017 8.76337 7.63312 16.9324 5.54495 6.93764 14.5723 4.80231 numMergedOcc 0
26 mol 181 unq 1 iso 0 dist 9.25528 6.96824 11.9017 18.2027 9.1374 20.225 14.3955 6.94688 15.7174 6.25083 numMergedOcc 0
27 mol 181 unq 2 iso 0 dist 9.25528 6.96824 11.9017 18.2027 9.1374 20.225 15.6271 6.71012 16.3976 4.77278 numMergedOcc 0
28 mol 181 unq 3 iso 0 dist 9.25528 6.96824 11.9017 11.4901 5.98885 15.333 14.3955 6.94688 15.7174 5.86342 numMergedOcc 0
29 mol 181 unq 4 iso 0 dist 9.25528 6.96824 11.9017 11.4901 5.98885 15.333 15.6271 6.71012 16.3976 9.14057 numMergedOcc 0
30 mol 181 unq 5 iso 0 dist 9.25528 6.96824 11.9017 11.9545 9.15386 14.4936 14.3955 6.94688 15.7174 6.80228 numMergedOcc 0
31 mol 181 unq 6 iso 0 dist 9.25528 6.96824 11.9017 11.9545 9.15386 14.4936 15.6271 6.71012 16.3976 11.6919 numMergedOcc 0
32 mol 204 unq 0 iso 0 dist 7.92766 6.32652 12.5143 14.0488 7.10633 19.1577 13.2566 5.90931 16.9866 5.09262 numMergedOcc 0
33 mol 204 unq 1 iso 0 dist 7.92766 6.32652 12.5143 7.58285 8.51516 13.8351 13.2566 5.90931 16.9866 12.9483 numMergedOcc 0
34 mol 227 unq 0 iso 0 dist 6.18486 9.93154 9.51866 6.78651 7.55216 9.34734 5.31715 8.83563 14.4583 11.662 numMergedOcc 0
35 mol 227 unq 1 iso 0 dist 6.18486 9.18218 4.48529 6.78651 7.55216 7.56888 5.31715 8.83563 12.9801 11.662 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 9.82174 9.2521 14.0328 10.4397 6.57393 10.0756 12.5765 6.91569 15.5389 10.9761 numMergedOcc 0
37 mol 238 unq 1 iso 0 dist 9.82174 8.51359 15.8898 10.4397 6.57393 14.6071 12.5765 6.91569 15.6485 10.9761 numMergedOcc 0
38 mol 238 unq 2 iso 0 dist 7.13194 7.2527 10.0191 9.05069 5.72887 13.5431 14.751 9.29858 12.5477 13.069 numMergedOcc 0
39 mol 238 unq 3 iso 0 dist 7.80166 9.29203 10.0191 6.77788 5.72887 13.5431 12.4266 9.29858 12.5477 13.069 numMergedOcc 0
40 mol 238 unq 4 iso 0 dist 7.80166 7.62771 10.1648 6.77788 5.72887 12.8711 12.4266 9.29858 9.68513 13.069 numMergedOcc 0
41 mol 249 unq 0 iso 0 dist 6.42827 6.93507 8.34718 8.22485 7.57994 11.7594 5.63238 8.83735 8.96876 5.23473 numMergedOcc 0
42 mol 249 unq 1 iso 0 dist 6.42827 6.93507 8.34718 6.77698 6.18582 12.2913 5.63238 8.83735 8.96876 7.38675 numMergedOcc 0
43 mol 272 unq 0 iso 0 dist 7.22438 7.66615 5.40809 10.3544 8.33638 8.46116 6.68919 6.73206 9.09992 5.63139 numMergedOcc 0
44 mol 272 unq 1 iso 0 dist 7.66615 7.22438 5.40809 11.4664 9.97651 13.2494 6.68919 9.09992 6.73206 10.841 numMergedOcc 0
45 mol 272 unq 2 iso 0 dist 7.66615 7.22438 5.40809 11.4664 9.97651 13.2494 8.13036 6.16449 10.1966 4.72202 numMergedOcc 0
46 mol 272 unq 3 iso 0 dist 7.66615 7.22438 5.40809 10.3544 8.46116 8.33638 6.68919 9.09992 6.73206 5.63139 numMergedOcc 0
47 mol 272 unq 4 iso 0 dist 7.66615 7.22438 5.40809 10.3544 8.46116 8.33638 8.13036 6.16449 10.1966 8.52877 numMergedOcc 0
48 mol 282 unq 0 iso 0 dist 7.90792 7.70229 4.66602 8.93697 6.33524 8.76532 6.63358 7.32347 10.4802 6.3384 numMergedOcc 0
