0 mol 1 unq 0 iso 0 dist 8.27735 6.03793 8.56884 12.4968 6.44928 9.44115 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 8.27735 6.03793 8.56884 8.40848 6.35409 7.90928 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 7.25179 4.75933 6.33889 13.4599 11.3797 8.77049 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 7.25179 4.75933 6.33889 11.3949 11.7623 6.95341 numMergedOcc 0
4 mol 9 unq 2 iso 0 dist 8.72522 6.35665 6.33889 12.6785 11.3797 8.77049 numMergedOcc 0
5 mol 9 unq 3 iso 0 dist 8.72522 6.35665 6.33889 12.0424 11.7623 6.95341 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 7.34549 7.23551 6.73162 6.42206 5.3315 9.97117 numMergedOcc 0
7 mol 26 unq 1 iso 0 dist 8.09068 4.03252 6.73162 10.1907 5.3315 9.97117 numMergedOcc 0
8 mol 26 unq 2 iso 0 dist 9.72289 8.34836 6.73162 9.66602 5.3315 9.97117 numMergedOcc 0
9 mol 88 unq 0 iso 0 dist 8.25679 7.09701 9.10189 13.7025 15.6961 9.75205 numMergedOcc 0
10 mol 90 unq 0 iso 0 dist 4.75701 8.43244 8.39016 13.2479 9.43289 9.30724 numMergedOcc 0
11 mol 90 unq 1 iso 0 dist 9.89618 12.4268 8.39016 17.8588 9.43289 9.30724 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 5.22628 5.26498 7.64585 6.12404 5.24961 5.58063 numMergedOcc 0
13 mol 173 unq 0 iso 0 dist 9.09857 9.00192 8.31897 7.76856 10.6484 9.56248 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 7.15963 9.09192 6.94688 13.6065 9.47799 8.45395 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 7.15963 9.09192 6.94688 11.4115 9.09989 9.15368 numMergedOcc 0
16 mol 181 unq 2 iso 0 dist 7.15963 9.09192 6.94688 8.63713 4.98009 9.20477 numMergedOcc 0
17 mol 181 unq 3 iso 0 dist 7.15963 12.1848 6.71012 13.6065 9.47799 5.41368 numMergedOcc 0
18 mol 181 unq 4 iso 0 dist 7.15963 12.1848 6.71012 11.4115 9.09989 7.96182 numMergedOcc 0
19 mol 181 unq 5 iso 0 dist 7.15963 12.1848 6.71012 8.63713 4.98009 7.90237 numMergedOcc 0
20 mol 181 unq 6 iso 0 dist 6.43406 4.56814 4.93785 5.08796 4.3158 6.17129 numMergedOcc 0
21 mol 181 unq 7 iso 0 dist 6.43406 4.56814 4.93785 5.93515 4.3226 5.83596 numMergedOcc 0
22 mol 183 unq 0 iso 0 dist 9.09322 6.93732 7.01383 8.53483 7.79648 7.42108 numMergedOcc 0
23 mol 183 unq 1 iso 0 dist 9.09322 6.93732 7.01383 14.3216 6.50505 9.19941 numMergedOcc 0
24 mol 183 unq 2 iso 0 dist 9.60723 4.50779 7.01383 9.74836 7.79648 7.42108 numMergedOcc 0
25 mol 183 unq 3 iso 0 dist 9.60723 4.50779 7.01383 8.50695 6.50505 9.19941 numMergedOcc 0
26 mol 197 unq 0 iso 0 dist 9.14737 7.69844 8.99696 8.61953 10.5326 8.32685 numMergedOcc 0
27 mol 197 unq 1 iso 0 dist 9.14737 7.69844 8.99696 7.91999 5.29309 6.74777 numMergedOcc 0
28 mol 197 unq 2 iso 0 dist 9.14737 7.69844 8.99696 11.8525 4.57437 9.62514 numMergedOcc 0
29 mol 236 unq 0 iso 0 dist 5.99137 4.47231 5.34718 4.43243 4.15973 6.98151 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 8.39522 10.4124 6.91569 19.219 11.9794 9.88122 numMergedOcc 0
31 mol 238 unq 1 iso 0 dist 6.51823 6.04481 7.2766 8.92585 10.7712 6.24435 numMergedOcc 0
32 mol 243 unq 0 iso 0 dist 9.39147 11.562 8.61104 18.0442 10.3202 8.53888 numMergedOcc 0
33 mol 243 unq 1 iso 0 dist 9.39147 11.562 8.61104 16.9368 10.1405 9.46855 numMergedOcc 0
34 mol 243 unq 2 iso 0 dist 7.70059 7.2163 8.61104 14.0626 10.3202 8.53888 numMergedOcc 0
35 mol 243 unq 3 iso 0 dist 7.70059 7.2163 8.61104 12.3103 10.1405 9.46855 numMergedOcc 0
36 mol 259 unq 0 iso 0 dist 6.20344 12.9748 7.48005 9.32743 4.77548 9.53092 numMergedOcc 0
37 mol 282 unq 0 iso 0 dist 7.12228 7.00729 7.32347 15.2738 14.3567 9.20119 numMergedOcc 0
38 mol 282 unq 1 iso 0 dist 7.12228 7.00729 7.32347 14.3173 10.0286 8.96997 numMergedOcc 0
