0 mol 38 unq 0 iso 0 dist 7.96306 5.73067 7.46414 5.79134 8.80956 7.50293 5.96514 4.74069 7.26639 4.40004 numMergedOcc 0
1 mol 38 unq 1 iso 0 dist 7.96306 5.73067 7.46414 5.48241 12.4417 9.91611 5.96514 4.74069 7.26639 8.68364 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 7.61312 6.58793 3.85308 10.1919 11.7729 7.95579 6.97936 10.8478 7.7068 6.36397 numMergedOcc 0
3 mol 85 unq 1 iso 0 dist 7.61312 6.58793 3.85308 9.21014 9.8682 6.19965 6.97936 10.8478 7.7068 4.41789 numMergedOcc 0
4 mol 85 unq 2 iso 0 dist 7.61312 6.58793 3.85308 7.83419 9.22376 7.66905 6.97936 10.8478 7.7068 5.59906 numMergedOcc 0
5 mol 86 unq 0 iso 0 dist 8.32885 8.88225 6.51657 8.73453 13.9582 9.5497 6.62266 10.0303 7.90423 6.98209 numMergedOcc 0
6 mol 86 unq 1 iso 0 dist 9.14653 9.49308 6.51657 10.7693 13.9582 9.5497 3.88769 10.0303 7.90423 6.98209 numMergedOcc 0
7 mol 88 unq 0 iso 0 dist 5.74637 7.74197 13.1838 4.0486 7.76275 9.36773 11.151 15.8947 7.80898 12.1193 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 9.02302 9.65047 13.209 5.33325 10.2352 7.27724 8.55456 13.6068 9.3948 3.94537 numMergedOcc 0
9 mol 95 unq 1 iso 0 dist 9.02302 9.65047 13.209 5.33325 10.2352 7.27724 3.84879 12.8162 9.74607 6.12605 numMergedOcc 0
10 mol 95 unq 2 iso 0 dist 9.02302 9.65047 13.209 5.69671 12.7489 8.03644 8.55456 13.6068 9.3948 11.3215 numMergedOcc 0
11 mol 95 unq 3 iso 0 dist 9.02302 9.65047 13.209 5.69671 12.7489 8.03644 3.84879 12.8162 9.74607 5.06946 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 7.13958 9.28278 4.80675 14.5776 10.1938 8.54584 9.05571 8.85652 5.51197 12.1739 numMergedOcc 0
13 mol 129 unq 1 iso 0 dist 7.13958 9.28278 4.80675 14.5776 10.1938 8.54584 9.63308 9.31543 6.69691 8.26896 numMergedOcc 0
14 mol 129 unq 2 iso 0 dist 7.13958 9.28278 4.80675 14.5776 10.1938 8.54584 14.5546 12.172 8.86944 5.63254 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 7.97183 5.96555 4.25942 4.6995 9.82156 6.03031 6.96644 6.75579 6.52816 9.49403 numMergedOcc 0
16 mol 205 unq 1 iso 0 dist 7.97183 5.96555 4.25942 10.7091 10.4618 7.26832 6.96644 6.75579 6.52816 13.514 numMergedOcc 0
17 mol 205 unq 2 iso 0 dist 7.97183 5.96555 4.25942 5.87892 9.3629 7.80463 6.96644 6.75579 6.52816 3.56269 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 8.65468 7.16386 9.18673 9.02283 16.5614 9.41367 4.94998 13.2696 8.2123 4.49451 numMergedOcc 0
19 mol 229 unq 0 iso 0 dist 5.75755 8.6537 12.696 8.65216 14.4018 8.22528 3.72432 9.10498 7.27993 5.70473 numMergedOcc 0
20 mol 229 unq 1 iso 0 dist 5.75755 8.6537 12.696 10.7439 15.825 7.03423 3.72432 9.10498 7.27993 7.22525 numMergedOcc 0
21 mol 229 unq 2 iso 0 dist 5.75755 5.57702 6.44004 6.21233 9.87839 9.87838 3.72432 9.10498 6.95201 4.61227 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 8.06908 9.54857 6.18571 15.3806 13.6279 7.46176 5.49348 8.40328 5.85442 10.067 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 8.06908 9.54857 6.18571 15.3806 13.6279 7.46176 5.13138 8.2518 6.95511 11.6988 numMergedOcc 0
24 mol 272 unq 0 iso 0 dist 7.38085 9.64596 4.78295 5.26991 8.82094 8.48753 3.7218 5.38409 6.44147 5.12237 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 6.70414 9.29635 5.77904 10.8075 8.35794 9.7748 12.7269 13.222 9.35539 11.4555 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 6.70414 9.29635 5.77904 10.8075 8.35794 9.7748 12.2421 9.91103 8.9682 17.6038 numMergedOcc 0
27 mol 277 unq 2 iso 0 dist 6.70414 9.29635 5.77904 10.8075 8.35794 9.7748 10.9521 7.0603 6.92711 14.772 numMergedOcc 0
