0 mol 37 unq 0 iso 0 dist 6.65821 3.96491 8.61124 7.79508 11.0522 4.07334 numMergedOcc 0
1 mol 37 unq 1 iso 0 dist 6.02633 3.96491 5.1625 7.79508 5.60174 4.07334 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 8.21985 3.30756 9.20861 9.12873 7.99907 7.93498 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 7.11013 8.47393 9.11491 13.2324 13.7118 6.65972 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 7.46478 3.81285 5.61151 6.27877 12.8729 7.51319 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 7.46478 3.81285 5.61151 10.5834 3.97167 9.43839 numMergedOcc 0
6 mol 85 unq 2 iso 0 dist 7.46478 6.17121 6.54289 14.5265 10.6818 8.66427 numMergedOcc 0
7 mol 85 unq 3 iso 0 dist 7.46478 6.17121 6.54289 6.27877 12.8729 8.49887 numMergedOcc 0
8 mol 136 unq 0 iso 0 dist 9.46264 11.5769 8.98184 5.00698 8.63299 9.71312 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 6.96294 6.8842 6.40751 5.68406 6.55605 9.57243 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 9.76389 5.05002 6.40751 9.46329 6.55605 9.57243 numMergedOcc 0
11 mol 193 unq 0 iso 0 dist 9.06161 5.57164 6.17074 8.30095 11.6584 9.13587 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 8.80672 6.82158 4.51124 14.2234 5.64245 8.77524 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 8.58887 4.91784 8.71877 13.2233 13.2905 8.62485 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 7.34653 11.457 6.16848 12.3147 6.50683 5.19729 numMergedOcc 0
15 mol 239 unq 1 iso 0 dist 5.75996 3.65952 5.50017 6.17408 6.59614 8.99104 numMergedOcc 0
16 mol 239 unq 2 iso 0 dist 7.44932 7.05149 5.50017 6.17602 6.59614 8.99104 numMergedOcc 0
17 mol 285 unq 0 iso 0 dist 7.78881 11.8302 6.01404 14.252 8.9423 4.95596 numMergedOcc 0
18 mol 292 unq 0 iso 0 dist 8.66938 4.94483 3.93401 10.0872 8.7383 9.25289 numMergedOcc 0
19 mol 292 unq 1 iso 0 dist 8.66938 4.94483 3.93401 11.4853 9.01459 9.29687 numMergedOcc 0
20 mol 292 unq 2 iso 0 dist 9.97399 6.85091 3.93401 13.4229 8.7383 9.25289 numMergedOcc 0
21 mol 292 unq 3 iso 0 dist 9.97399 6.85091 3.93401 8.60635 9.01459 9.29687 numMergedOcc 0
