0 mol 21 unq 0 iso 0 dist 8.07914 8.85347 4.964 5.0018 3.91407 5.68808 7.30397 4.89282 8.28093 6.23257 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.22152 5.87895 6.7228 9.58718 9.8765 6.39013 7.06532 10.658 6.38336 3.72191 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.22152 5.87895 6.7228 9.31263 8.95572 8.94148 7.06532 10.658 6.38336 5.85158 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 9.22152 9.57974 6.62926 9.58718 9.8765 3.94993 7.06532 10.658 6.51 3.72191 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 9.22152 9.57974 6.62926 9.31263 8.95572 6.99489 7.06532 10.658 6.51 5.85158 numMergedOcc 0
5 mol 30 unq 0 iso 0 dist 8.204 8.37503 11.4088 7.75449 6.73037 9.86672 8.90581 8.50024 4.94076 6.37795 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.90896 5.79954 4.78435 7.55565 6.51072 8.00278 6.66506 5.00474 5.11416 4.10173 numMergedOcc 0
7 mol 162 unq 0 iso 0 dist 6.59407 9.42819 9.00663 9.98649 8.04855 16.1113 6.80226 4.93161 10.1865 6.49195 numMergedOcc 0
8 mol 162 unq 1 iso 0 dist 7.30751 8.15223 7.87851 6.66396 4.15457 5.65753 8.54006 4.05981 11.5958 6.76865 numMergedOcc 0
9 mol 174 unq 0 iso 0 dist 7.27146 8.4931 4.74974 4.97597 9.24028 8.48462 5.07761 4.80246 7.29873 6.19344 numMergedOcc 0
10 mol 174 unq 1 iso 0 dist 6.25798 8.4931 6.97243 4.97597 8.00637 8.48462 5.07761 9.44119 7.29873 6.19344 numMergedOcc 0
11 mol 220 unq 0 iso 0 dist 6.50756 9.85951 5.55687 9.1318 5.26215 7.05672 8.32948 11.1785 11.5838 9.68332 numMergedOcc 0
12 mol 230 unq 0 iso 0 dist 9.24729 8.33847 12.2372 7.5725 6.72933 10.3804 8.85051 9.16476 5.0515 6.78617 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 8.48545 9.27989 13.3838 7.55125 5.89242 11.1638 6.91534 9.08479 11.169 3.88767 numMergedOcc 0
14 mol 239 unq 1 iso 0 dist 8.48545 9.27989 13.3838 7.55125 5.89242 11.1638 8.67704 5.88166 14.8007 4.15092 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 9.8165 7.46199 6.98979 7.7033 9.45777 10.4042 8.51736 10.5286 9.5662 3.63667 numMergedOcc 0
16 mol 284 unq 0 iso 0 dist 7.74965 8.08993 4.76222 8.45942 9.36278 11.2689 4.87349 9.47092 10.6664 12.2307 numMergedOcc 0
17 mol 284 unq 1 iso 0 dist 7.74965 7.34344 13.4636 8.45942 9.36278 15.2862 4.87349 9.47092 4.50325 12.2307 numMergedOcc 0
