0 mol 58 unq 0 iso 0 dist 7.15486 8.52969 10.6169 6.58144 6.64012 13.4544 12.9126 13.7148 8.26899 14.7581 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 7.15486 8.52969 10.6169 4.98107 9.4099 9.55426 12.9126 13.7148 8.26899 10.3782 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 6.85083 8.97292 9.49235 7.35881 7.17396 14.2252 9.55542 9.84864 6.71911 11.8492 numMergedOcc 0
3 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
4 mol 100 unq 0 iso 0 dist 9.26343 9.91446 13.8729 13.666 6.45675 18.696 7.39527 14.448 4.76815 19.2384 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 9.26343 9.91446 13.8729 16.4386 7.47343 19.3587 7.39527 14.448 4.76815 20.9812 numMergedOcc 0
6 mol 100 unq 2 iso 0 dist 9.26343 9.91446 13.8729 15.5646 8.86688 22.0839 7.39527 14.448 4.76815 21.946 numMergedOcc 0
7 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
8 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
9 mol 131 unq 0 iso 0 dist 6.38977 9.69757 5.55373 6.82985 8.40312 7.12972 12.4356 12.5969 8.6243 6.19596 numMergedOcc 0
10 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
11 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
12 mol 175 unq 0 iso 0 dist 8.50904 7.04318 6.2715 8.09861 9.0018 5.6234 6.61225 10.689 9.0664 5.28109 numMergedOcc 0
13 mol 175 unq 1 iso 0 dist 8.50904 7.04318 6.2715 10.1323 7.652 9.92231 6.61225 10.689 9.0664 7.14477 numMergedOcc 0
14 mol 175 unq 2 iso 0 dist 7.04318 8.50904 6.2715 8.09861 5.6234 9.0018 14.6248 12.816 9.31887 11.0415 numMergedOcc 0
15 mol 175 unq 3 iso 0 dist 7.04318 8.50904 6.2715 10.1323 9.92231 7.652 14.6248 12.816 9.31887 5.0384 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 6.96824 9.25528 11.9017 8.76337 7.63312 16.9324 14.3955 15.7174 6.94688 20.264 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 6.96824 9.25528 11.9017 8.76337 7.63312 16.9324 15.6271 16.3976 6.71012 22.3372 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 9.25528 6.96824 11.9017 18.2027 9.1374 20.225 5.54495 14.5723 6.93764 23.5487 numMergedOcc 0
19 mol 181 unq 3 iso 0 dist 9.25528 6.96824 11.9017 11.4901 5.98885 15.333 5.54495 14.5723 6.93764 16.76 numMergedOcc 0
20 mol 181 unq 4 iso 0 dist 9.25528 6.96824 11.9017 11.9545 9.15386 14.4936 5.54495 14.5723 6.93764 16.2537 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 9.93154 6.18486 9.51866 6.78651 9.34734 7.55216 5.31715 14.4583 8.83563 11.662 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 9.18218 6.18486 4.48529 6.78651 7.56888 7.55216 5.31715 12.9801 8.83563 11.662 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 7.13194 7.2527 10.0191 9.05069 5.72887 13.5431 14.0776 10.7386 9.90142 14.2103 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 7.80166 9.29203 10.0191 6.77788 5.72887 13.5431 11.091 10.7386 9.90142 14.2103 numMergedOcc 0
25 mol 238 unq 2 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
26 mol 238 unq 3 iso 0 dist 7.80166 7.62771 10.1648 6.77788 5.72887 12.8711 11.091 10.7386 5.9216 14.2103 numMergedOcc 0
27 mol 238 unq 4 iso 0 dist 9.2521 9.82174 14.0328 12.8083 6.22714 13.1053 12.5765 15.5389 6.91569 15.2274 numMergedOcc 0
28 mol 238 unq 5 iso 0 dist 9.2521 9.82174 14.0328 10.1821 7.31233 11.101 12.5765 15.5389 6.91569 15.4238 numMergedOcc 0
29 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
30 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
31 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
32 mol 272 unq 1 iso 0 dist 7.22438 7.66615 5.40809 10.3544 8.33638 8.46116 8.13036 10.1966 6.16449 8.52877 numMergedOcc 0
33 mol 272 unq 2 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
34 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
35 mol 282 unq 0 iso 0 dist 7.70229 7.90792 4.66602 8.93697 8.76532 6.33524 6.63358 10.4802 7.32347 6.3384 numMergedOcc 0
