0 mol 2 unq 0 iso 0 dist 7.99162 9.3761 8.44439 6.38677 9.58976 9.39313 13.4315 9.97525 12.2379 9.08872 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 7.99162 9.3761 8.44439 6.38677 9.58976 9.39313 9.9335 11.2776 4.80061 7.37296 numMergedOcc 0
2 mol 2 unq 2 iso 0 dist 7.99162 9.3761 8.44439 5.59831 6.35342 11.4462 13.4315 9.97525 12.2379 9.74371 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 6.72872 6.6367 6.91496 10.3388 5.38191 10.614 12.3331 6.33921 9.48539 5.44539 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 8.3558 7.06722 9.85978 5.38868 4.98104 7.80279 8.98532 5.1767 10.8271 8.67865 numMergedOcc 0
5 mol 102 unq 0 iso 0 dist 8.84131 9.00369 3.48119 10.8385 9.10229 5.88034 6.7095 7.49575 6.04036 5.43401 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 6.34542 9.83758 6.34994 11.5209 8.42147 11.3324 17.5523 13.3198 17.5246 8.83191 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 8.43116 9.82655 12.6623 7.46653 6.7225 15.2521 12.6771 5.3967 17.9827 7.67341 numMergedOcc 0
8 mol 241 unq 0 iso 0 dist 6.90245 7.65636 4.07839 10.121 9.72526 12.8183 7.16232 7.93809 11.2023 9.174 numMergedOcc 0
9 mol 248 unq 0 iso 0 dist 7.40475 5.76741 6.19721 11.0674 8.71859 11.3246 11.8652 9.48478 8.32249 8.11968 numMergedOcc 0
10 mol 264 unq 0 iso 0 dist 9.07206 6.26593 13.3122 5.7123 6.28512 10.9315 9.91369 8.70128 11.0307 7.61232 numMergedOcc 0
11 mol 277 unq 0 iso 0 dist 9.38793 7.05489 9.94225 12.7183 6.60309 15.7986 13.5506 5.28949 13.1614 8.81903 numMergedOcc 0
12 mol 285 unq 0 iso 0 dist 6.44657 5.93983 8.33646 14.1417 8.71213 17.0071 11.464 5.93692 13.9641 4.74716 numMergedOcc 0
