0 mol 52 unq 0 iso 0 dist 7.68916 11.9986 9.80098 9.24617 9.66501 4.88603 9.04053 6.31696 11.6682 12.6605 numMergedOcc 0
1 mol 52 unq 1 iso 0 dist 7.68916 13.3091 7.34143 9.24617 9.66501 12.277 9.04053 6.31696 6.66056 12.6605 numMergedOcc 0
2 mol 52 unq 2 iso 0 dist 7.47417 8.90624 9.80098 5.10567 9.66501 4.88603 11.8458 6.31696 11.6682 12.6605 numMergedOcc 0
3 mol 52 unq 3 iso 0 dist 7.47417 13.0115 7.34143 5.10567 9.66501 12.277 11.8458 6.31696 6.66056 12.6605 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 5.09688 9.65979 6.45675 5.25231 9.00544 11.8512 6.29383 7.38135 7.11701 5.46256 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 5.09688 9.65979 6.45675 6.16378 7.12017 9.52882 6.29383 7.38135 7.11701 9.38256 numMergedOcc 0
6 mol 100 unq 2 iso 0 dist 5.09688 12.2879 7.47343 5.25231 9.00544 14.9392 6.29383 7.38135 11.2312 5.46256 numMergedOcc 0
7 mol 100 unq 3 iso 0 dist 5.09688 12.2879 7.47343 6.16378 7.12017 12.6602 6.29383 7.38135 11.2312 9.38256 numMergedOcc 0
8 mol 100 unq 4 iso 0 dist 5.09688 10.2364 8.86688 5.25231 9.00544 9.01214 6.29383 7.38135 7.79768 5.46256 numMergedOcc 0
9 mol 100 unq 5 iso 0 dist 5.09688 10.2364 8.86688 6.16378 7.12017 14.8674 6.29383 7.38135 7.79768 9.38256 numMergedOcc 0
10 mol 100 unq 6 iso 0 dist 9.26343 13.666 6.45675 8.90536 9.00544 11.8512 10.728 7.38135 7.11701 5.46256 numMergedOcc 0
11 mol 100 unq 7 iso 0 dist 9.26343 13.666 6.45675 5.69359 7.12017 9.52882 10.728 7.38135 7.11701 9.38256 numMergedOcc 0
12 mol 100 unq 8 iso 0 dist 9.26343 16.4386 7.47343 8.90536 9.00544 14.9392 10.728 7.38135 11.2312 5.46256 numMergedOcc 0
13 mol 100 unq 9 iso 0 dist 9.26343 16.4386 7.47343 5.69359 7.12017 12.6602 10.728 7.38135 11.2312 9.38256 numMergedOcc 0
14 mol 100 unq 10 iso 0 dist 9.26343 15.5646 8.86688 8.90536 9.00544 9.01214 10.728 7.38135 7.79768 5.46256 numMergedOcc 0
15 mol 100 unq 11 iso 0 dist 9.26343 15.5646 8.86688 5.69359 7.12017 14.8674 10.728 7.38135 7.79768 9.38256 numMergedOcc 0
16 mol 114 unq 0 iso 0 dist 5.87387 6.4595 7.5732 11.3694 6.34525 11.128 10.6075 6.84011 7.436 8.51024 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 8.59784 9.70986 8.73993 12.9632 8.56342 4.91132 8.66162 6.52773 7.20179 6.96805 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 8.59784 9.70986 8.73993 12.9632 8.56342 4.91132 6.71925 9.23858 9.89358 13.3975 numMergedOcc 0
19 mol 119 unq 2 iso 0 dist 8.59784 9.70986 8.73993 4.31572 6.37542 6.08167 8.66162 6.52773 7.20179 4.86811 numMergedOcc 0
20 mol 119 unq 3 iso 0 dist 8.59784 9.70986 8.73993 4.31572 6.37542 6.08167 6.71925 9.23858 9.89358 8.00229 numMergedOcc 0
21 mol 129 unq 0 iso 0 dist 8.14071 13.1328 5.83384 10.9764 8.03372 6.67948 9.81728 9.36851 10.7293 6.84211 numMergedOcc 0
22 mol 129 unq 1 iso 0 dist 8.14071 13.1328 5.83384 10.9764 8.03372 6.67948 6.95825 4.97175 7.29399 4.53459 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 6.99089 10.1742 6.54501 5.50042 5.53031 5.35679 10.0674 7.80532 7.41674 8.98004 numMergedOcc 0
24 mol 134 unq 1 iso 0 dist 6.99089 12.6542 6.49416 5.50042 5.53031 8.46636 10.0674 7.80532 9.87376 8.98004 numMergedOcc 0
25 mol 143 unq 0 iso 0 dist 8.72463 14.0766 5.99315 4.88215 8.41611 12.7056 16.1752 7.78652 6.48978 15.0801 numMergedOcc 0
26 mol 143 unq 1 iso 0 dist 8.72463 14.0766 5.99315 4.88215 8.41611 12.7056 17.1567 8.91301 5.20762 15.0315 numMergedOcc 0
27 mol 143 unq 2 iso 0 dist 8.72463 14.0766 5.99315 8.25783 7.63338 12.8872 16.1752 7.78652 6.48978 11.5146 numMergedOcc 0
28 mol 143 unq 3 iso 0 dist 8.72463 14.0766 5.99315 8.25783 7.63338 12.8872 17.1567 8.91301 5.20762 13.434 numMergedOcc 0
29 mol 143 unq 4 iso 0 dist 8.72463 14.0766 5.99315 14.7431 9.03707 7.76364 16.1752 7.78652 6.48978 8.97873 numMergedOcc 0
30 mol 143 unq 5 iso 0 dist 8.72463 14.0766 5.99315 14.7431 9.03707 7.76364 17.1567 8.91301 5.20762 6.29542 numMergedOcc 0
31 mol 143 unq 6 iso 0 dist 8.72463 14.0766 5.99315 12.956 7.25673 9.23795 16.1752 7.78652 6.48978 6.60479 numMergedOcc 0
32 mol 143 unq 7 iso 0 dist 8.72463 14.0766 5.99315 12.956 7.25673 9.23795 17.1567 8.91301 5.20762 7.54337 numMergedOcc 0
33 mol 181 unq 0 iso 0 dist 9.25528 18.2027 9.1374 6.09526 6.51749 13.8722 15.4597 8.90963 8.91338 13.0913 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 9.25528 11.4901 5.98885 6.09526 6.51749 5.93488 15.4597 8.90963 9.81073 13.0913 numMergedOcc 0
35 mol 181 unq 2 iso 0 dist 9.25528 11.9545 9.15386 6.09526 6.51749 7.64267 15.4597 8.90963 9.34211 13.0913 numMergedOcc 0
36 mol 192 unq 0 iso 0 dist 9.05666 5.64431 5.59424 6.93447 7.24199 7.0057 5.76622 8.77999 8.49529 3.86183 numMergedOcc 0
37 mol 192 unq 1 iso 0 dist 9.05666 10.8223 7.00794 6.93447 7.24199 8.51255 5.76622 8.77999 11.7523 3.86183 numMergedOcc 0
38 mol 204 unq 0 iso 0 dist 7.92766 14.0488 7.10633 10.2224 6.85441 8.17229 15.254 9.68728 7.67571 5.42649 numMergedOcc 0
39 mol 204 unq 1 iso 0 dist 7.92766 7.58285 8.51516 10.2224 6.85441 5.74707 15.254 9.68728 10.8573 5.42649 numMergedOcc 0
40 mol 206 unq 0 iso 0 dist 8.59262 4.38308 8.02137 5.90709 8.70977 6.3188 14.201 7.75885 12.7604 10.7023 numMergedOcc 0
41 mol 206 unq 1 iso 0 dist 8.59262 13.472 9.774 5.90709 8.70977 9.9412 14.201 7.75885 6.45859 10.7023 numMergedOcc 0
42 mol 224 unq 0 iso 0 dist 7.69537 5.92906 9.40098 5.63106 8.37597 6.77927 9.80934 9.51597 4.98993 10.1672 numMergedOcc 0
43 mol 224 unq 1 iso 0 dist 7.69537 5.41675 6.61986 5.63106 8.37597 4.59567 9.80934 9.51597 12.4692 10.1672 numMergedOcc 0
44 mol 238 unq 0 iso 0 dist 7.13194 9.05069 5.72887 9.87539 7.32982 12.3808 10.0472 9.24557 14.7883 4.77308 numMergedOcc 0
45 mol 238 unq 1 iso 0 dist 7.80166 6.77788 5.72887 10.4401 7.32982 12.3808 13.6806 9.24557 14.7883 4.77308 numMergedOcc 0
46 mol 258 unq 0 iso 0 dist 7.22378 6.8193 6.60405 4.56307 6.70815 7.42673 4.39424 7.21311 5.63675 8.10604 numMergedOcc 0
47 mol 259 unq 0 iso 0 dist 9.47382 13.8605 7.46176 15.3317 8.55558 5.60748 10.451 7.08526 8.81835 6.31909 numMergedOcc 0
