0 mol 58 unq 0 iso 0 dist 7.15486 7.04193 7.5247 6.58144 6.64012 10.3988 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 7.15486 7.04193 7.5247 4.98107 9.4099 11.9025 numMergedOcc 0
2 mol 58 unq 2 iso 0 dist 7.15486 8.52969 10.6169 6.58144 6.64012 13.4544 numMergedOcc 0
3 mol 58 unq 3 iso 0 dist 7.15486 8.52969 10.6169 4.98107 9.4099 9.55426 numMergedOcc 0
4 mol 58 unq 4 iso 0 dist 8.52969 7.04193 11.6716 11.6772 6.81627 17.1486 numMergedOcc 0
5 mol 58 unq 5 iso 0 dist 8.52969 7.04193 11.6716 9.0406 7.32874 15.108 numMergedOcc 0
6 mol 58 unq 6 iso 0 dist 8.52969 7.04193 11.6716 4.98107 9.55426 11.9025 numMergedOcc 0
7 mol 58 unq 7 iso 0 dist 8.52969 7.15486 10.6169 11.6772 6.81627 15.2973 numMergedOcc 0
8 mol 58 unq 8 iso 0 dist 8.52969 7.15486 10.6169 9.0406 7.32874 11.396 numMergedOcc 0
9 mol 58 unq 9 iso 0 dist 8.52969 7.15486 10.6169 4.98107 9.55426 9.4099 numMergedOcc 0
10 mol 59 unq 0 iso 0 dist 8.97292 6.85083 9.49235 7.2878 6.85766 11.9709 numMergedOcc 0
11 mol 59 unq 1 iso 0 dist 8.97292 6.85083 9.49235 14.1347 7.71095 13.9238 numMergedOcc 0
12 mol 59 unq 2 iso 0 dist 6.85083 8.97292 9.49235 7.35881 7.17396 14.2252 numMergedOcc 0
13 mol 66 unq 0 iso 0 dist 7.69019 8.04639 9.61194 5.89221 8.96624 12.4286 numMergedOcc 0
14 mol 70 unq 0 iso 0 dist 9.74268 7.95122 5.22626 6.95018 9.65964 10.1773 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 9.26343 9.91446 13.8729 13.666 6.45675 18.696 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 9.26343 9.91446 13.8729 16.4386 7.47343 19.3587 numMergedOcc 0
17 mol 100 unq 2 iso 0 dist 9.26343 9.91446 13.8729 15.5646 8.86688 22.0839 numMergedOcc 0
18 mol 112 unq 0 iso 0 dist 7.65229 7.63658 10.838 5.43987 9.60462 11.438 numMergedOcc 0
19 mol 112 unq 1 iso 0 dist 7.65229 7.63658 10.838 9.7695 7.45389 13.9719 numMergedOcc 0
20 mol 114 unq 0 iso 0 dist 5.87387 6.06543 5.59517 6.4595 7.5732 10.1027 numMergedOcc 0
21 mol 114 unq 1 iso 0 dist 6.06543 5.87387 5.59517 5.51609 7.35754 10.1937 numMergedOcc 0
22 mol 131 unq 0 iso 0 dist 6.38977 9.64856 7.50824 6.82985 8.40312 13.724 numMergedOcc 0
23 mol 131 unq 1 iso 0 dist 6.38977 9.69757 5.55373 6.82985 8.40312 7.12972 numMergedOcc 0
24 mol 131 unq 2 iso 0 dist 9.69757 9.64856 11.0599 6.82985 7.12972 13.724 numMergedOcc 0
25 mol 131 unq 3 iso 0 dist 9.69757 6.38977 5.55373 6.82985 7.12972 8.40312 numMergedOcc 0
26 mol 132 unq 0 iso 0 dist 9.0339 8.48641 4.35917 15.9368 7.7059 11.5751 numMergedOcc 0
27 mol 132 unq 1 iso 0 dist 9.0339 6.23573 13.624 15.9368 7.7059 20.7565 numMergedOcc 0
28 mol 156 unq 0 iso 0 dist 7.80643 7.39961 5.76755 6.52984 7.44554 10.4649 numMergedOcc 0
29 mol 175 unq 0 iso 0 dist 8.50904 7.04318 6.2715 8.09861 9.0018 5.6234 numMergedOcc 0
30 mol 175 unq 1 iso 0 dist 8.50904 7.04318 6.2715 10.1323 7.652 9.92231 numMergedOcc 0
31 mol 175 unq 2 iso 0 dist 7.04318 8.50904 6.2715 8.09861 5.6234 9.0018 numMergedOcc 0
32 mol 175 unq 3 iso 0 dist 7.04318 8.50904 6.2715 10.1323 9.92231 7.652 numMergedOcc 0
33 mol 181 unq 0 iso 0 dist 6.96824 9.25528 11.9017 8.76337 7.63312 16.9324 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 9.25528 6.96824 11.9017 18.2027 9.1374 20.225 numMergedOcc 0
35 mol 181 unq 2 iso 0 dist 9.25528 6.96824 11.9017 11.4901 5.98885 15.333 numMergedOcc 0
36 mol 181 unq 3 iso 0 dist 9.25528 6.96824 11.9017 11.9545 9.15386 14.4936 numMergedOcc 0
37 mol 204 unq 0 iso 0 dist 7.92766 6.32652 12.5143 14.0488 7.10633 19.1577 numMergedOcc 0
38 mol 204 unq 1 iso 0 dist 7.92766 6.32652 12.5143 7.58285 8.51516 13.8351 numMergedOcc 0
39 mol 220 unq 0 iso 0 dist 8.93637 7.96424 13.4403 14.8074 9.23153 14.106 numMergedOcc 0
40 mol 220 unq 1 iso 0 dist 8.93637 5.40366 6.55533 14.8074 9.23153 9.55941 numMergedOcc 0
41 mol 227 unq 0 iso 0 dist 9.93154 9.18218 7.43198 6.78651 9.34734 7.56888 numMergedOcc 0
42 mol 227 unq 1 iso 0 dist 9.93154 6.18486 9.51866 6.78651 9.34734 7.55216 numMergedOcc 0
43 mol 227 unq 2 iso 0 dist 9.18218 9.93154 7.43198 6.78651 7.56888 9.34734 numMergedOcc 0
44 mol 227 unq 3 iso 0 dist 9.18218 6.18486 4.48529 6.78651 7.56888 7.55216 numMergedOcc 0
45 mol 227 unq 4 iso 0 dist 6.18486 9.93154 9.51866 6.78651 7.55216 9.34734 numMergedOcc 0
46 mol 227 unq 5 iso 0 dist 6.18486 9.18218 4.48529 6.78651 7.55216 7.56888 numMergedOcc 0
47 mol 238 unq 0 iso 0 dist 9.82174 9.2521 14.0328 10.4397 6.57393 10.0756 numMergedOcc 0
48 mol 238 unq 1 iso 0 dist 9.82174 8.51359 15.8898 10.4397 6.57393 14.6071 numMergedOcc 0
49 mol 238 unq 2 iso 0 dist 7.13194 7.2527 10.0191 9.05069 5.72887 13.5431 numMergedOcc 0
50 mol 238 unq 3 iso 0 dist 7.80166 9.29203 10.0191 6.77788 5.72887 13.5431 numMergedOcc 0
51 mol 238 unq 4 iso 0 dist 7.80166 7.62771 10.1648 6.77788 5.72887 12.8711 numMergedOcc 0
52 mol 238 unq 5 iso 0 dist 9.2521 9.82174 14.0328 12.8083 6.22714 13.1053 numMergedOcc 0
53 mol 238 unq 6 iso 0 dist 9.2521 9.82174 14.0328 10.1821 7.31233 11.101 numMergedOcc 0
54 mol 238 unq 7 iso 0 dist 9.2521 8.51359 6.85126 12.8083 6.22714 12.6642 numMergedOcc 0
55 mol 238 unq 8 iso 0 dist 9.2521 8.51359 6.85126 10.1821 7.31233 13.1583 numMergedOcc 0
56 mol 249 unq 0 iso 0 dist 6.42827 6.93507 8.34718 8.22485 7.57994 11.7594 numMergedOcc 0
57 mol 249 unq 1 iso 0 dist 6.42827 6.93507 8.34718 6.77698 6.18582 12.2913 numMergedOcc 0
58 mol 259 unq 0 iso 0 dist 6.49599 9.34738 4.86771 14.1932 8.13497 9.95973 numMergedOcc 0
59 mol 259 unq 1 iso 0 dist 6.49599 9.34738 4.86771 13.8605 7.88519 7.84554 numMergedOcc 0
60 mol 259 unq 2 iso 0 dist 6.49599 9.47382 6.96053 14.1932 8.13497 10.3935 numMergedOcc 0
61 mol 259 unq 3 iso 0 dist 6.49599 9.47382 6.96053 13.8605 7.88519 7.46176 numMergedOcc 0
62 mol 259 unq 4 iso 0 dist 9.34738 6.49599 4.86771 13.8605 7.84554 7.88519 numMergedOcc 0
63 mol 259 unq 5 iso 0 dist 9.34738 9.47382 7.64658 13.8605 7.84554 7.46176 numMergedOcc 0
64 mol 259 unq 6 iso 0 dist 9.47382 6.49599 6.96053 13.8605 7.46176 7.88519 numMergedOcc 0
65 mol 259 unq 7 iso 0 dist 9.47382 9.34738 7.64658 13.8605 7.46176 7.84554 numMergedOcc 0
66 mol 261 unq 0 iso 0 dist 7.26647 7.7309 4.63549 4.95196 7.73141 10.0703 numMergedOcc 0
67 mol 261 unq 1 iso 0 dist 7.26647 7.7309 4.63549 9.29412 8.43057 6.05727 numMergedOcc 0
68 mol 261 unq 2 iso 0 dist 7.7309 7.26647 4.63549 9.29412 6.05727 8.43057 numMergedOcc 0
69 mol 272 unq 0 iso 0 dist 7.22438 7.66615 5.40809 10.3544 8.33638 8.46116 numMergedOcc 0
70 mol 272 unq 1 iso 0 dist 7.66615 7.22438 5.40809 11.4664 9.97651 13.2494 numMergedOcc 0
71 mol 272 unq 2 iso 0 dist 7.66615 7.22438 5.40809 10.3544 8.46116 8.33638 numMergedOcc 0
72 mol 276 unq 0 iso 0 dist 7.11272 6.24808 8.84158 5.75852 6.87396 11.1437 numMergedOcc 0
73 mol 282 unq 0 iso 0 dist 7.70229 7.90792 4.66602 8.93697 8.76532 6.33524 numMergedOcc 0
74 mol 282 unq 1 iso 0 dist 7.90792 7.70229 4.66602 8.93697 6.33524 8.76532 numMergedOcc 0
