0 mol 7 unq 0 iso 0 dist 8.57437 13.63 8.85869 17.7278 9.85726 14.1047 15.262 11.5784 19.2577 9.60499 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.18109 5.02379 6.17472 5.66535 6.87871 5.3372 13.8432 8.95909 13.0456 9.24927 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 9.82315 5.78708 6.85094 7.49081 5.92705 7.15161 10.5781 5.4671 10.5531 6.65721 numMergedOcc 0
3 mol 61 unq 1 iso 0 dist 9.82315 5.78708 6.85094 7.49081 5.92705 7.15161 12.4244 10.1513 13.6393 6.72123 numMergedOcc 0
4 mol 61 unq 2 iso 0 dist 9.67403 16.6923 9.94756 4.90701 9.62468 18.7183 11.0419 10.7369 20.4711 6.65721 numMergedOcc 0
5 mol 61 unq 3 iso 0 dist 9.67403 16.6923 9.94756 4.90701 9.62468 18.7183 8.46556 11.5608 19.7171 6.72123 numMergedOcc 0
6 mol 61 unq 4 iso 0 dist 7.28917 4.16192 9.94756 16.7918 9.62468 18.7183 17.6513 10.7369 20.4711 6.65721 numMergedOcc 0
7 mol 61 unq 5 iso 0 dist 7.28917 4.16192 9.94756 16.7918 9.62468 18.7183 18.1412 11.5608 19.7171 6.72123 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 5.58346 12.2435 7.84699 4.69583 6.89722 13.4367 11.0671 10.4716 10.1112 9.96396 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 5.58346 12.2435 7.84699 4.69583 6.89722 13.4367 6.18305 5.2774 8.124 6.19304 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 5.58346 12.2435 7.84699 4.69583 6.89722 13.4367 13.2599 13.9156 19.5696 8.70481 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 5.58346 10.362 7.53504 4.69583 6.89722 9.64124 11.0671 10.4716 16.3948 9.96396 numMergedOcc 0
12 mol 73 unq 4 iso 0 dist 5.58346 10.362 7.53504 4.69583 6.89722 9.64124 6.18305 5.2774 11.801 6.19304 numMergedOcc 0
13 mol 73 unq 5 iso 0 dist 5.58346 10.362 7.53504 4.69583 6.89722 9.64124 13.2599 13.9156 12.2721 8.70481 numMergedOcc 0
14 mol 73 unq 6 iso 0 dist 9.10386 12.2435 8.40844 15.7901 9.68526 5.33851 11.0671 8.31041 10.1112 9.38498 numMergedOcc 0
15 mol 73 unq 7 iso 0 dist 9.10386 12.2435 8.40844 4.69583 7.26679 13.4367 11.0671 8.31041 10.1112 9.96396 numMergedOcc 0
16 mol 73 unq 8 iso 0 dist 9.10386 12.2435 8.40844 4.69583 7.26679 13.4367 6.18305 5.44275 8.124 6.19304 numMergedOcc 0
17 mol 73 unq 9 iso 0 dist 9.10386 12.2435 8.40844 4.69583 7.26679 13.4367 13.2599 11.2674 19.5696 8.70481 numMergedOcc 0
18 mol 73 unq 10 iso 0 dist 9.10386 12.2435 8.40844 15.8603 9.30776 15.7164 11.0671 8.31041 10.1112 9.75218 numMergedOcc 0
19 mol 73 unq 11 iso 0 dist 9.10386 14.2654 7.02351 15.7901 9.68526 13.6586 11.0671 8.31041 11.0108 9.38498 numMergedOcc 0
20 mol 73 unq 12 iso 0 dist 9.10386 14.2654 7.02351 4.69583 7.26679 10.3774 11.0671 8.31041 11.0108 9.96396 numMergedOcc 0
21 mol 73 unq 13 iso 0 dist 9.10386 14.2654 7.02351 4.69583 7.26679 10.3774 6.18305 5.44275 10.9082 6.19304 numMergedOcc 0
22 mol 73 unq 14 iso 0 dist 9.10386 14.2654 7.02351 4.69583 7.26679 10.3774 13.2599 11.2674 8.16299 8.70481 numMergedOcc 0
23 mol 73 unq 15 iso 0 dist 9.10386 14.2654 7.02351 15.8603 9.30776 4.15333 11.0671 8.31041 11.0108 9.75218 numMergedOcc 0
24 mol 73 unq 16 iso 0 dist 9.10386 10.362 8.66342 15.7901 9.68526 16.8585 11.0671 8.31041 16.3948 9.38498 numMergedOcc 0
25 mol 73 unq 17 iso 0 dist 9.10386 10.362 8.66342 4.69583 7.26679 9.64124 11.0671 8.31041 16.3948 9.96396 numMergedOcc 0
26 mol 73 unq 18 iso 0 dist 9.10386 10.362 8.66342 4.69583 7.26679 9.64124 6.18305 5.44275 11.801 6.19304 numMergedOcc 0
27 mol 73 unq 19 iso 0 dist 9.10386 10.362 8.66342 4.69583 7.26679 9.64124 13.2599 11.2674 12.2721 8.70481 numMergedOcc 0
28 mol 73 unq 20 iso 0 dist 9.10386 10.362 8.66342 15.8603 9.30776 16.0481 11.0671 8.31041 16.3948 9.75218 numMergedOcc 0
29 mol 73 unq 21 iso 0 dist 9.66744 16.9811 7.84699 8.59095 6.89722 13.4367 17.4799 10.4716 10.1112 9.96396 numMergedOcc 0
30 mol 73 unq 22 iso 0 dist 9.66744 16.9811 7.84699 8.59095 6.89722 13.4367 12.9661 5.2774 8.124 6.19304 numMergedOcc 0
31 mol 73 unq 23 iso 0 dist 9.66744 16.9811 7.84699 8.59095 6.89722 13.4367 10.1147 13.9156 19.5696 8.70481 numMergedOcc 0
32 mol 73 unq 24 iso 0 dist 9.66744 4.5646 7.53504 8.59095 6.89722 9.64124 17.4799 10.4716 16.3948 9.96396 numMergedOcc 0
33 mol 73 unq 25 iso 0 dist 9.66744 4.5646 7.53504 8.59095 6.89722 9.64124 12.9661 5.2774 11.801 6.19304 numMergedOcc 0
34 mol 73 unq 26 iso 0 dist 9.66744 4.5646 7.53504 8.59095 6.89722 9.64124 10.1147 13.9156 12.2721 8.70481 numMergedOcc 0
35 mol 92 unq 0 iso 0 dist 9.93688 13.3114 4.85152 4.71849 9.514 11.1785 11.0291 11.8037 11.1915 7.4729 numMergedOcc 0
36 mol 92 unq 1 iso 0 dist 9.88184 13.3931 4.85152 9.24395 9.514 11.1785 16.1796 11.8037 11.1915 7.4729 numMergedOcc 0
37 mol 101 unq 0 iso 0 dist 5.5199 5.2394 5.51185 4.50603 8.77773 9.11989 5.22543 5.16122 8.97911 6.57035 numMergedOcc 0
38 mol 102 unq 0 iso 0 dist 8.07962 7.92108 9.61113 8.58092 9.01767 13.9809 11.1118 6.42572 12.1389 7.36792 numMergedOcc 0
39 mol 102 unq 1 iso 0 dist 8.07962 4.9259 7.73836 8.58092 9.01767 5.09542 11.1118 6.42572 9.84673 7.36792 numMergedOcc 0
40 mol 102 unq 2 iso 0 dist 9.54857 7.92108 7.59973 8.58092 9.80678 13.9809 11.1118 5.54551 12.1389 7.36792 numMergedOcc 0
41 mol 102 unq 3 iso 0 dist 7.58908 4.51114 9.61113 12.5781 9.01767 13.9809 12.0912 6.42572 12.1389 7.36792 numMergedOcc 0
42 mol 102 unq 4 iso 0 dist 7.58908 9.29865 7.73836 12.5781 9.01767 5.09542 12.0912 6.42572 9.84673 7.36792 numMergedOcc 0
43 mol 102 unq 5 iso 0 dist 9.32058 4.51114 7.59973 12.5781 9.80678 13.9809 12.0912 5.54551 12.1389 7.36792 numMergedOcc 0
44 mol 117 unq 0 iso 0 dist 6.81489 5.76817 5.24519 10.0087 7.70533 5.34484 12.479 6.29427 8.81172 9.84395 numMergedOcc 0
45 mol 117 unq 1 iso 0 dist 6.81489 5.76817 5.24519 10.0087 7.70533 5.34484 17.1533 14.3476 11.6152 7.90328 numMergedOcc 0
46 mol 117 unq 2 iso 0 dist 9.33403 8.6257 8.30003 13.5681 9.85576 5.21051 11.3462 10.4589 7.0318 7.90328 numMergedOcc 0
47 mol 117 unq 3 iso 0 dist 9.33403 8.6257 8.30003 13.5681 9.85576 5.21051 17.9437 14.2649 11.0698 7.83136 numMergedOcc 0
48 mol 117 unq 4 iso 0 dist 9.33403 8.6257 8.30003 13.5681 9.85576 5.21051 16.6362 9.53886 10.5123 7.0603 numMergedOcc 0
49 mol 181 unq 0 iso 0 dist 4.96259 6.6215 5.77393 4.11061 6.00053 5.32859 11.5719 11.1879 11.0615 8.03334 numMergedOcc 0
50 mol 230 unq 0 iso 0 dist 6.61442 6.22182 5.00735 10.3251 8.43766 6.33989 11.5522 7.07028 5.62804 6.7547 numMergedOcc 0
51 mol 230 unq 1 iso 0 dist 6.61442 12.0815 9.27643 10.3251 8.43766 6.63414 11.5522 7.07028 10.8539 6.7547 numMergedOcc 0
52 mol 230 unq 2 iso 0 dist 7.10283 5.18766 5.00735 6.51645 8.43766 6.33989 9.97386 7.07028 5.62804 6.7547 numMergedOcc 0
53 mol 230 unq 3 iso 0 dist 7.10283 9.15352 9.27643 6.51645 8.43766 6.63414 9.97386 7.07028 10.8539 6.7547 numMergedOcc 0
54 mol 259 unq 0 iso 0 dist 5.98006 7.8775 9.16791 6.64729 6.77279 12.4673 12.3391 7.55268 14.3065 8.53687 numMergedOcc 0
55 mol 259 unq 1 iso 0 dist 5.98006 7.8775 9.16791 6.64729 6.77279 12.4673 8.06771 5.71237 13.8844 8.13497 numMergedOcc 0
56 mol 259 unq 2 iso 0 dist 5.98006 7.8775 9.16791 9.79538 9.58006 16.6792 8.06771 5.71237 13.8844 7.88519 numMergedOcc 0
57 mol 259 unq 3 iso 0 dist 5.98006 7.8775 9.16791 9.79538 9.58006 16.6792 12.3795 9.10984 18.1068 7.84554 numMergedOcc 0
58 mol 259 unq 4 iso 0 dist 5.98006 7.8775 9.16791 9.79538 9.58006 16.6792 11.1503 11.8501 18.6945 7.46176 numMergedOcc 0
59 mol 259 unq 5 iso 0 dist 5.98006 7.8775 9.16791 9.79538 9.58006 16.6792 17.0226 13.9868 22.9986 9.18903 numMergedOcc 0
