0 mol 28 unq 0 iso 0 dist 8.74311 9.77719 18.1675 6.76158 4.50098 16.4255 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.74311 9.77719 18.1675 7.423 8.14695 16.0765 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 8.74311 9.77719 18.1675 5.89257 9.01546 13.6412 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 7.41509 8.33273 4.35522 7.52145 3.24351 6.37026 numMergedOcc 0
4 mol 32 unq 1 iso 0 dist 5.47336 9.16481 10.1984 8.35776 9.30168 5.33785 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 6.61052 5.82829 6.13703 4.74574 6.84869 7.21298 numMergedOcc 0
6 mol 88 unq 0 iso 0 dist 8.60797 5.90605 10.1371 5.43098 9.10091 5.70431 numMergedOcc 0
7 mol 88 unq 1 iso 0 dist 8.60797 5.90605 10.1371 9.40555 10.7807 5.46288 numMergedOcc 0
8 mol 88 unq 2 iso 0 dist 8.60797 9.0645 8.62695 5.43098 9.10091 9.05425 numMergedOcc 0
9 mol 88 unq 3 iso 0 dist 8.60797 9.0645 8.62695 9.40555 10.7807 3.13774 numMergedOcc 0
10 mol 116 unq 0 iso 0 dist 8.39198 7.54622 13.1873 9.70317 14.2669 3.66183 numMergedOcc 0
11 mol 116 unq 1 iso 0 dist 6.70803 7.54622 6.66505 9.70317 9.40781 3.66183 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 9.09552 9.56218 11.7313 7.82717 8.15238 13.8612 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 9.09552 9.56218 11.7313 8.19926 3.98361 13.9771 numMergedOcc 0
14 mol 186 unq 2 iso 0 dist 9.09552 9.56218 11.7313 9.02402 13.4808 3.2635 numMergedOcc 0
15 mol 186 unq 3 iso 0 dist 9.09552 8.30899 9.24966 7.82717 8.15238 12.9254 numMergedOcc 0
16 mol 186 unq 4 iso 0 dist 9.09552 8.30899 9.24966 8.19926 3.98361 11.6544 numMergedOcc 0
17 mol 186 unq 5 iso 0 dist 9.09552 8.30899 9.24966 9.02402 13.4808 4.9849 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 8.96332 9.72819 11.2847 9.54857 7.86323 13.6485 numMergedOcc 0
19 mol 220 unq 1 iso 0 dist 8.96332 9.72819 11.2847 8.73456 6.76635 10.687 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 5.73488 9.48525 7.03597 7.22151 8.58432 12.315 numMergedOcc 0
21 mol 225 unq 1 iso 0 dist 5.73488 4.58113 4.57447 6.15671 3.64687 5.31124 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 8.70984 8.34536 12.0816 8.86773 11.5209 3.04079 numMergedOcc 0
23 mol 258 unq 1 iso 0 dist 8.70984 8.34536 12.0816 8.95095 15.8746 6.41309 numMergedOcc 0
24 mol 285 unq 0 iso 0 dist 9.24084 7.95196 9.68392 8.88717 6.4415 11.9635 numMergedOcc 0
25 mol 285 unq 1 iso 0 dist 7.03138 6.759 9.68392 9.84651 6.4415 11.9635 numMergedOcc 0
