0 mol 0 unq 0 iso 0 dist 8.27602 7.41411 9.72725 12.8311 7.05033 9.99338 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 5.36413 5.17518 6.07517 10.4798 8.74649 5.61656 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 5.36413 5.17518 6.07517 11.8516 10.9847 7.22242 numMergedOcc 0
3 mol 30 unq 2 iso 0 dist 5.36413 7.18789 6.74179 10.4798 8.74649 6.95343 numMergedOcc 0
4 mol 30 unq 3 iso 0 dist 9.30604 7.11245 6.07517 10.9447 8.74649 5.61656 numMergedOcc 0
5 mol 30 unq 4 iso 0 dist 9.30604 7.11245 6.07517 13.9285 10.9847 7.22242 numMergedOcc 0
6 mol 30 unq 5 iso 0 dist 9.30604 5.05661 6.74179 10.9447 8.74649 6.95343 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 8.03914 12.1132 6.66407 16.3099 10.0882 8.92291 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 9.04174 9.97169 6.66407 17.5517 10.0882 8.92291 numMergedOcc 0
9 mol 53 unq 0 iso 0 dist 9.31516 14.9509 7.28228 16.2977 7.53994 9.43171 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 7.91605 6.71593 5.5087 10.8786 4.25755 6.43377 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 6.43707 6.71593 6.08682 10.8786 6.08046 6.43377 numMergedOcc 0
12 mol 88 unq 0 iso 0 dist 6.89706 8.44462 7.51139 11.1737 9.68157 9.30559 numMergedOcc 0
13 mol 88 unq 1 iso 0 dist 6.89706 6.07226 7.80898 8.95194 6.29943 6.066 numMergedOcc 0
14 mol 170 unq 0 iso 0 dist 8.95292 8.83341 9.08274 10.872 5.40635 6.36868 numMergedOcc 0
15 mol 219 unq 0 iso 0 dist 8.38773 10.0509 4.33238 9.59958 4.27314 5.40597 numMergedOcc 0
16 mol 219 unq 1 iso 0 dist 8.38773 5.48556 7.83604 9.59958 4.27314 7.66784 numMergedOcc 0
17 mol 235 unq 0 iso 0 dist 8.31344 15.2767 8.19317 12.0242 5.67913 7.48753 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 7.69491 5.29737 6.73665 7.84904 7.77371 5.45139 numMergedOcc 0
19 mol 239 unq 1 iso 0 dist 6.64008 11.4465 6.73665 14.0909 7.77371 5.45139 numMergedOcc 0
20 mol 273 unq 0 iso 0 dist 9.45329 7.52275 9.59325 7.14243 4.04219 9.82018 numMergedOcc 0
