0 mol 0 unq 0 iso 0 dist 8.38106 11.108 5.55156 15.2749 7.1599 7.15528 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 5.70193 4.4975 5.55156 10.0671 7.1599 7.15528 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 7.979 12.4209 9.04834 12.1997 6.05535 4.7319 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 7.979 4.78943 8.17898 6.36377 5.72175 5.05803 numMergedOcc 0
4 mol 41 unq 0 iso 0 dist 8.45063 9.08934 4.68793 13.2988 5.72331 6.19529 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 5.41134 5.29688 9.05547 6.65344 6.34748 6.85766 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 8.61357 12.0007 9.05547 10.9882 6.34748 6.85766 numMergedOcc 0
7 mol 59 unq 2 iso 0 dist 9.41952 5.85228 6.46655 9.55751 8.94845 7.17396 numMergedOcc 0
8 mol 59 unq 3 iso 0 dist 9.41952 5.85228 6.46655 10.7234 6.32263 9.21998 numMergedOcc 0
9 mol 71 unq 0 iso 0 dist 8.39608 4.93292 8.21553 7.35142 5.87956 7.38797 numMergedOcc 0
10 mol 71 unq 1 iso 0 dist 7.28815 6.53623 8.21553 9.50139 5.87956 7.38797 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 7.61312 7.83419 9.22376 10.7244 5.75796 7.47541 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 7.61312 7.83419 9.22376 6.58793 3.85308 7.66905 numMergedOcc 0
13 mol 85 unq 2 iso 0 dist 7.61312 7.83419 9.22376 11.7434 9.77828 5.73196 numMergedOcc 0
14 mol 88 unq 0 iso 0 dist 5.74637 4.0486 7.76275 7.74197 13.1838 9.36773 numMergedOcc 0
15 mol 88 unq 1 iso 0 dist 5.74637 4.0486 7.76275 7.86537 12.6939 8.31336 numMergedOcc 0
16 mol 127 unq 0 iso 0 dist 8.58317 4.70935 7.73139 9.8685 11.0785 9.30299 numMergedOcc 0
17 mol 127 unq 1 iso 0 dist 5.52891 4.02121 6.65963 9.8685 10.345 8.14887 numMergedOcc 0
18 mol 127 unq 2 iso 0 dist 5.52891 4.70935 8.62711 9.8685 10.345 9.30299 numMergedOcc 0
19 mol 130 unq 0 iso 0 dist 9.92685 10.5415 9.05626 15.3663 7.09664 8.70949 numMergedOcc 0
20 mol 132 unq 0 iso 0 dist 9.00166 4.90475 6.2403 8.7366 6.04014 7.7059 numMergedOcc 0
21 mol 132 unq 1 iso 0 dist 7.16287 4.90475 6.495 8.7366 10.0823 7.7059 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 8.06614 5.27217 7.15203 10.3751 5.38237 7.24514 numMergedOcc 0
23 mol 133 unq 1 iso 0 dist 8.06614 5.27217 7.15203 13.2491 9.71227 8.22656 numMergedOcc 0
24 mol 167 unq 0 iso 0 dist 9.65404 6.32863 7.83781 12.2455 6.43506 9.87651 numMergedOcc 0
25 mol 175 unq 0 iso 0 dist 7.7013 12.3666 6.73365 11.3098 5.73338 5.6234 numMergedOcc 0
26 mol 175 unq 1 iso 0 dist 7.7013 12.3666 6.73365 18.6681 12.753 9.92231 numMergedOcc 0
27 mol 175 unq 2 iso 0 dist 7.7013 12.3067 9.45659 11.3098 5.73338 6.57069 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 9.73634 8.27755 6.86297 10.8878 8.03427 8.87694 numMergedOcc 0
29 mol 186 unq 1 iso 0 dist 9.73634 8.27755 6.86297 15.7803 7.56632 9.09754 numMergedOcc 0
30 mol 204 unq 0 iso 0 dist 4.45738 10.6493 7.7292 16.8304 13.4646 7.10633 numMergedOcc 0
31 mol 204 unq 1 iso 0 dist 4.45738 10.6493 7.7292 13.8331 9.54287 8.51516 numMergedOcc 0
32 mol 210 unq 0 iso 0 dist 5.33103 3.84723 6.53736 8.62103 11.5481 6.18308 numMergedOcc 0
33 mol 210 unq 1 iso 0 dist 9.01301 3.84723 8.18851 8.62103 8.72811 6.18308 numMergedOcc 0
34 mol 236 unq 0 iso 0 dist 8.20542 11.2013 9.97357 12.3675 8.3919 8.03456 numMergedOcc 0
35 mol 236 unq 1 iso 0 dist 8.20542 11.2013 9.97357 11.0771 4.88785 6.84306 numMergedOcc 0
36 mol 236 unq 2 iso 0 dist 8.20542 11.2013 9.97357 5.66569 10.2557 9.99038 numMergedOcc 0
37 mol 236 unq 3 iso 0 dist 8.20542 11.2013 9.97357 15.7385 14.6755 9.78037 numMergedOcc 0
38 mol 236 unq 4 iso 0 dist 8.20542 11.2013 9.97357 13.3367 16.5918 8.35971 numMergedOcc 0
39 mol 236 unq 5 iso 0 dist 8.20542 4.15973 6.36941 12.3675 8.3919 9.81562 numMergedOcc 0
40 mol 236 unq 6 iso 0 dist 8.20542 4.15973 6.36941 11.0771 4.88785 7.68742 numMergedOcc 0
41 mol 236 unq 7 iso 0 dist 8.20542 4.15973 6.36941 5.66569 10.2557 6.27581 numMergedOcc 0
42 mol 258 unq 0 iso 0 dist 9.17911 17.1229 8.81059 18.9271 9.78068 6.42289 numMergedOcc 0
43 mol 258 unq 1 iso 0 dist 9.52903 7.52881 8.81059 5.73834 9.78068 6.42289 numMergedOcc 0
44 mol 272 unq 0 iso 0 dist 7.38085 5.26991 8.82094 9.64596 4.78295 8.48753 numMergedOcc 0
45 mol 277 unq 0 iso 0 dist 6.70414 10.8075 8.35794 9.29635 5.77904 9.7748 numMergedOcc 0
46 mol 282 unq 0 iso 0 dist 8.42335 4.64783 8.58671 11.3408 8.13794 8.04483 numMergedOcc 0
