0 mol 54 unq 0 iso 0 dist 6.13476 10.5752 5.97635 15.9453 9.88291 9.5915 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 8.83 7.60115 8.09199 14.3615 7.19147 9.4022 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 9.45835 11.1106 9.23023 8.61468 7.17843 9.84346 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 9.45835 11.1106 9.23023 6.27186 4.4651 9.46472 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 6.5258 4.32161 5.17585 10.3077 5.48442 8.06034 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 8.29529 6.68968 8.89481 8.28452 14.0364 9.64281 numMergedOcc 0
6 mol 120 unq 0 iso 0 dist 8.20009 11.9512 7.04864 13.2922 5.89379 8.43293 numMergedOcc 0
7 mol 120 unq 1 iso 0 dist 8.14799 10.1556 7.04864 11.8479 5.89379 8.43293 numMergedOcc 0
8 mol 123 unq 0 iso 0 dist 9.99727 11.1664 8.67193 11.7363 4.07494 6.4879 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 8.94909 6.45157 5.86531 5.7232 5.37072 7.12336 numMergedOcc 0
10 mol 196 unq 0 iso 0 dist 7.84536 7.42251 6.25429 5.76319 4.57882 7.556 numMergedOcc 0
11 mol 196 unq 1 iso 0 dist 7.07723 10.0417 6.25429 5.30132 4.57882 7.556 numMergedOcc 0
12 mol 196 unq 2 iso 0 dist 6.40064 8.51719 6.25429 9.50323 4.57882 7.556 numMergedOcc 0
13 mol 196 unq 3 iso 0 dist 8.69629 7.06113 6.87731 8.36119 6.70722 7.556 numMergedOcc 0
14 mol 210 unq 0 iso 0 dist 7.86668 4.04112 8.62103 13.1418 14.2438 9.718 numMergedOcc 0
15 mol 210 unq 1 iso 0 dist 7.86668 4.04112 8.62103 11.1553 11.4281 8.61629 numMergedOcc 0
16 mol 218 unq 0 iso 0 dist 9.85348 12.2182 7.73315 17.4503 9.20709 8.61427 numMergedOcc 0
17 mol 235 unq 0 iso 0 dist 8.84872 7.44501 9.11256 10.014 5.23741 8.92054 numMergedOcc 0
18 mol 257 unq 0 iso 0 dist 8.95261 15.2818 7.82899 13.3198 5.8531 8.23739 numMergedOcc 0
19 mol 257 unq 1 iso 0 dist 7.80336 12.1004 7.82899 11.9642 5.8531 8.23739 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 5.29682 6.00285 5.90645 8.93002 6.64729 9.05363 numMergedOcc 0
21 mol 265 unq 0 iso 0 dist 7.83102 9.76011 7.04833 10.0887 6.50018 9.71346 numMergedOcc 0
