0 mol 48 unq 0 iso 0 dist 6.01454 9.53081 5.41488 13.2371 8.96621 11.4224 12.665 8.94842 7.34325 8.27973 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 6.01454 9.53081 5.41488 13.2371 8.96621 11.4224 14.1985 9.9555 6.42037 10.6228 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 7.02854 5.73235 5.22567 12.6371 9.45905 12.7637 5.69691 8.5069 10.2474 10.1894 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 7.41952 8.64686 9.57704 10.2713 7.62846 11.613 8.12985 8.0318 7.318 4.9582 numMergedOcc 0
4 mol 90 unq 0 iso 0 dist 6.6146 9.06641 5.12529 6.63999 9.46251 12.3131 6.55381 8.48639 12.0429 11.7023 numMergedOcc 0
5 mol 143 unq 0 iso 0 dist 6.68364 6.87456 7.87375 13.0852 8.99696 16.7775 5.88056 5.44814 11.1097 7.51335 numMergedOcc 0
6 mol 148 unq 0 iso 0 dist 9.71692 9.18753 11.8278 11.2206 6.58752 13.2422 8.01366 8.3656 15.4666 8.51158 numMergedOcc 0
7 mol 150 unq 0 iso 0 dist 9.73708 9.15244 11.6537 11.1844 6.62442 13.1275 8.04136 8.44633 15.4042 8.45996 numMergedOcc 0
8 mol 220 unq 0 iso 0 dist 7.57712 5.25149 10.1832 6.555 9.58724 7.81237 7.47274 7.27248 12.2711 8.30031 numMergedOcc 0
9 mol 220 unq 1 iso 0 dist 7.57712 8.6368 13.4455 6.555 9.58724 14.9704 7.47274 7.27248 13.0124 8.30031 numMergedOcc 0
10 mol 223 unq 0 iso 0 dist 5.75896 6.97426 10.6184 6.5658 7.22882 11.4192 8.1388 5.50267 14.6463 6.50937 numMergedOcc 0
11 mol 223 unq 1 iso 0 dist 5.75896 8.87456 13.8469 6.5658 7.22882 13.9012 8.1388 5.50267 17.0039 6.50937 numMergedOcc 0
12 mol 266 unq 0 iso 0 dist 6.58277 6.57444 5.91091 4.56912 9.12381 11.0001 12.6355 9.97206 10.9977 14.5709 numMergedOcc 0
13 mol 266 unq 1 iso 0 dist 6.58277 6.57444 5.91091 8.89693 8.79148 13.3746 12.6355 9.97206 10.9977 13.1216 numMergedOcc 0
14 mol 266 unq 2 iso 0 dist 6.58277 6.57444 5.91091 14.5953 8.14167 11.0568 12.6355 9.97206 10.9977 11.0249 numMergedOcc 0
15 mol 266 unq 3 iso 0 dist 6.58277 7.9555 3.93133 4.56912 9.12381 11.0616 12.6355 9.97206 13.2182 14.5709 numMergedOcc 0
16 mol 266 unq 4 iso 0 dist 6.58277 7.9555 3.93133 8.89693 8.79148 11.7745 12.6355 9.97206 13.2182 13.1216 numMergedOcc 0
17 mol 266 unq 5 iso 0 dist 6.58277 7.9555 3.93133 14.5953 8.14167 8.67354 12.6355 9.97206 13.2182 11.0249 numMergedOcc 0
18 mol 266 unq 6 iso 0 dist 8.42706 8.8646 3.93133 5.43295 9.12381 11.0616 16.8963 9.97206 13.2182 14.5709 numMergedOcc 0
19 mol 266 unq 7 iso 0 dist 8.42706 8.8646 3.93133 7.37367 8.79148 11.7745 16.8963 9.97206 13.2182 13.1216 numMergedOcc 0
20 mol 266 unq 8 iso 0 dist 8.42706 8.8646 3.93133 15.7187 8.14167 8.67354 16.8963 9.97206 13.2182 11.0249 numMergedOcc 0
21 mol 266 unq 9 iso 0 dist 8.12204 9.39714 5.91091 15.9506 9.12381 11.0001 5.85295 9.97206 10.9977 14.5709 numMergedOcc 0
22 mol 266 unq 10 iso 0 dist 8.12204 9.39714 5.91091 14.4053 8.79148 13.3746 5.85295 9.97206 10.9977 13.1216 numMergedOcc 0
23 mol 266 unq 11 iso 0 dist 8.12204 9.39714 5.91091 5.69904 8.14167 11.0568 5.85295 9.97206 10.9977 11.0249 numMergedOcc 0
24 mol 273 unq 0 iso 0 dist 8.26333 6.02879 5.40861 12.9657 7.70185 12.745 10.4999 8.31704 11.7246 5.15944 numMergedOcc 0
25 mol 273 unq 1 iso 0 dist 8.26333 6.02879 5.40861 12.6195 7.97117 11.3323 10.4999 8.31704 11.7246 5.35498 numMergedOcc 0
