0 mol 16 unq 0 iso 0 dist 9.45103 12.5048 8.43054 17.6238 9.81307 7.63133 16.1606 11.1513 5.32694 5.46498 21.6828 16.7405 10.4155 8.71745 5.74188 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 9.45103 12.5048 8.43054 17.6238 9.81307 7.63133 21.6828 16.7405 10.4155 8.71745 16.1606 11.1513 5.32694 5.46498 5.74188 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 4.79891 4.72129 7.02507 8.05602 7.03983 6.48948 12.0507 9.89095 9.51923 5.08437 12.0339 12.7417 9.42358 6.10456 8.40073 numMergedOcc 0
3 mol 98 unq 0 iso 1 dist 4.79891 4.72129 7.02507 8.05602 7.03983 6.48948 12.0339 12.7417 9.42358 6.10456 12.0507 9.89095 9.51923 5.08437 8.40073 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 6.74197 11.0642 7.54889 15.44 10.4782 6.10456 13.9683 9.81956 8.40073 5.08437 17.3037 10.8223 9.42358 6.48948 9.51923 numMergedOcc 0
5 mol 98 unq 1 iso 1 dist 6.74197 11.0642 7.54889 15.44 10.4782 6.10456 17.3037 10.8223 9.42358 6.48948 13.9683 9.81956 8.40073 5.08437 9.51923 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 5.30117 5.92158 5.35782 5.70279 5.47563 7.47343 5.85449 9.94341 8.8807 6.65086 7.68675 9.82522 12.6515 6.56369 7.80879 numMergedOcc 0
7 mol 100 unq 0 iso 1 dist 5.30117 5.92158 5.35782 5.70279 5.47563 7.47343 7.68675 9.82522 12.6515 6.56369 5.85449 9.94341 8.8807 6.65086 7.80879 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 5.30117 5.92158 5.35782 5.70279 5.47563 7.47343 5.85449 9.94341 8.8807 6.65086 9.53223 13.4844 13.887 9.30209 5.38414 numMergedOcc 0
9 mol 100 unq 1 iso 1 dist 5.30117 5.92158 5.35782 5.70279 5.47563 7.47343 9.53223 13.4844 13.887 9.30209 5.85449 9.94341 8.8807 6.65086 5.38414 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 5.30117 5.92158 5.35782 5.70279 5.47563 7.47343 7.68675 9.82522 12.6515 6.56369 9.53223 13.4844 13.887 9.30209 6.39938 numMergedOcc 0
11 mol 100 unq 1 iso 1 dist 5.30117 5.92158 5.35782 5.70279 5.47563 7.47343 9.53223 13.4844 13.887 9.30209 7.68675 9.82522 12.6515 6.56369 6.39938 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 9.05604 5.25186 6.29161 11.8274 6.73011 7.34473 11.611 11.0751 7 8.58044 11.1466 13.6787 8.40993 9.97763 6.94915 numMergedOcc 0
13 mol 109 unq 0 iso 1 dist 9.05604 5.25186 6.29161 11.8274 6.73011 7.34473 11.1466 13.6787 8.40993 9.97763 11.611 11.0751 7 8.58044 6.94915 numMergedOcc 0
14 mol 109 unq 1 iso 0 dist 5.58623 5.25186 7.86666 11.8274 13.0886 7.34473 11.611 14.3511 7 8.58044 11.1466 15.7916 8.40993 9.97763 6.94915 numMergedOcc 0
15 mol 109 unq 1 iso 1 dist 5.58623 5.25186 7.86666 11.8274 13.0886 7.34473 11.1466 15.7916 8.40993 9.97763 11.611 14.3511 7 8.58044 6.94915 numMergedOcc 0
16 mol 117 unq 0 iso 0 dist 8.54233 5.34484 6.10127 11.6152 10.5783 7.90328 11.8951 11.6387 7.22206 7.83136 11.7058 14.762 9.3584 7.0603 7.21564 numMergedOcc 0
17 mol 117 unq 0 iso 1 dist 8.54233 5.34484 6.10127 11.6152 10.5783 7.90328 11.7058 14.762 9.3584 7.0603 11.8951 11.6387 7.22206 7.83136 7.21564 numMergedOcc 0
18 mol 178 unq 0 iso 0 dist 9.03126 9.74132 7.06025 12.3456 6.42973 6.69288 11.125 10.0638 5.34677 6.43573 19.1474 13.2692 11.7381 7.17202 9.89739 numMergedOcc 0
19 mol 178 unq 0 iso 1 dist 9.03126 9.74132 7.06025 12.3456 6.42973 6.69288 19.1474 13.2692 11.7381 7.17202 11.125 10.0638 5.34677 6.43573 9.89739 numMergedOcc 0
20 mol 178 unq 1 iso 0 dist 9.03126 9.74132 7.06025 12.3456 6.42973 6.69288 11.125 10.0638 5.34677 6.43573 19.395 15.0672 14.0703 8.81551 10.5529 numMergedOcc 0
21 mol 178 unq 1 iso 1 dist 9.03126 9.74132 7.06025 12.3456 6.42973 6.69288 19.395 15.0672 14.0703 8.81551 11.125 10.0638 5.34677 6.43573 10.5529 numMergedOcc 0
22 mol 178 unq 1 iso 0 dist 9.03126 9.74132 7.06025 12.3456 6.42973 6.69288 19.1474 13.2692 11.7381 7.17202 19.395 15.0672 14.0703 8.81551 5.18005 numMergedOcc 0
23 mol 178 unq 1 iso 1 dist 9.03126 9.74132 7.06025 12.3456 6.42973 6.69288 19.395 15.0672 14.0703 8.81551 19.1474 13.2692 11.7381 7.17202 5.18005 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 7.12029 5.77884 6.61112 12.2764 11.0961 7.54065 19.4957 18.4751 13.8792 9.70748 7.02436 11.456 5.74635 8.87694 14.9058 numMergedOcc 0
25 mol 186 unq 0 iso 1 dist 7.12029 5.77884 6.61112 12.2764 11.0961 7.54065 7.02436 11.456 5.74635 8.87694 19.4957 18.4751 13.8792 9.70748 14.9058 numMergedOcc 0
26 mol 222 unq 0 iso 0 dist 8.51427 5.60111 5.56538 5.47561 6.84862 7.21333 10.6375 14.4477 13.3522 8.01589 5.39098 10.0233 5.24516 7.7699 10.4579 numMergedOcc 0
27 mol 222 unq 0 iso 1 dist 8.51427 5.60111 5.56538 5.47561 6.84862 7.21333 5.39098 10.0233 5.24516 7.7699 10.6375 14.4477 13.3522 8.01589 10.4579 numMergedOcc 0
28 mol 224 unq 0 iso 0 dist 5.31916 8.98459 6.99769 10.1632 5.76843 6.65832 9.81806 8.79428 6.77699 6.60589 5.99647 6.8692 11.328 9.16166 8.49799 numMergedOcc 0
29 mol 224 unq 0 iso 1 dist 5.31916 8.98459 6.99769 10.1632 5.76843 6.65832 5.99647 6.8692 11.328 9.16166 9.81806 8.79428 6.77699 6.60589 8.49799 numMergedOcc 0
30 mol 224 unq 1 iso 0 dist 5.31916 9.81806 8.79428 9.73411 7.05804 6.57273 14.1073 13.2325 4.70378 8.95269 5.99647 6.8692 8.49799 5.78342 11.5372 numMergedOcc 0
31 mol 224 unq 1 iso 1 dist 5.31916 9.81806 8.79428 9.73411 7.05804 6.57273 5.99647 6.8692 8.49799 5.78342 14.1073 13.2325 4.70378 8.95269 11.5372 numMergedOcc 0
32 mol 224 unq 2 iso 0 dist 5.31916 9.81806 8.79428 10.1632 5.76843 6.60589 8.98459 6.99769 6.77699 6.65832 5.99647 6.8692 8.49799 9.16166 11.328 numMergedOcc 0
33 mol 224 unq 2 iso 1 dist 5.31916 9.81806 8.79428 10.1632 5.76843 6.60589 5.99647 6.8692 8.49799 9.16166 8.98459 6.99769 6.77699 6.65832 11.328 numMergedOcc 0
34 mol 224 unq 3 iso 0 dist 5.31916 5.99647 6.8692 9.73411 7.05804 5.78342 14.1073 13.2325 11.5372 8.95269 9.81806 8.79428 8.49799 6.57273 4.70378 numMergedOcc 0
35 mol 224 unq 3 iso 1 dist 5.31916 5.99647 6.8692 9.73411 7.05804 5.78342 9.81806 8.79428 8.49799 6.57273 14.1073 13.2325 11.5372 8.95269 4.70378 numMergedOcc 0
36 mol 224 unq 4 iso 0 dist 5.31916 5.99647 6.8692 10.1632 5.76843 9.16166 8.98459 6.99769 11.328 6.65832 9.81806 8.79428 8.49799 6.60589 6.77699 numMergedOcc 0
37 mol 224 unq 4 iso 1 dist 5.31916 5.99647 6.8692 10.1632 5.76843 9.16166 9.81806 8.79428 8.49799 6.60589 8.98459 6.99769 11.328 6.65832 6.77699 numMergedOcc 0
38 mol 273 unq 0 iso 0 dist 8.28809 6.69098 9.59325 13.6003 12.2939 9.01049 13.5902 14.6946 7.03728 6.92774 11.0449 15.4762 8.05475 9.2983 8.55278 numMergedOcc 0
39 mol 273 unq 0 iso 1 dist 8.28809 6.69098 9.59325 13.6003 12.2939 9.01049 11.0449 15.4762 8.05475 9.2983 13.5902 14.6946 7.03728 6.92774 8.55278 numMergedOcc 0
