0 mol 16 unq 0 iso 0 dist 8.67719 6.53177 5.46498 5.84479 5.32694 7.63133 13.4596 5.74188 8.71745 10.4155 6.04677 11.1513 9.81307 8.43054 16.7405 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 9.74445 14.445 6.20293 13.964 5.06502 5.73819 15.3221 6.45462 8.93915 5.89973 18.3387 10.0168 5.07458 6.66407 10.9975 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.84983 11.5882 6.62496 9.56737 4.81926 6.35756 12.9335 5.30792 6.86465 5.35073 5.04521 9.22598 9.87158 8.96727 13.3281 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 7.84983 11.5882 6.62496 9.56737 4.81926 6.35756 12.9335 5.30792 6.86465 5.35073 10.2341 9.55996 5.86526 8.01308 11.5155 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 9.56737 11.5882 6.35756 7.84983 4.81926 6.62496 12.9335 5.35073 6.86465 5.30792 5.04521 8.96727 9.87158 9.22598 13.3281 numMergedOcc 0
5 mol 60 unq 0 iso 0 dist 5.83937 9.96073 6.43294 11.1212 5.67502 8.7531 14.8574 10.1562 8.33063 7.29309 12.0661 7.57295 8.62476 8.4312 12.8147 numMergedOcc 0
6 mol 60 unq 1 iso 0 dist 8.82095 13.6099 6.43294 10.5768 5.67502 8.7531 17.2674 10.1562 8.33063 7.29309 7.32774 7.57295 8.62476 8.4312 12.8147 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 9.74643 5.5332 8.58044 8.21889 7 7.34473 6.86702 6.94915 9.97763 8.40993 10.4255 11.0751 6.73011 6.29161 13.6787 numMergedOcc 0
8 mol 109 unq 1 iso 0 dist 9.74643 5.5332 8.58044 8.21889 7 7.34473 6.86702 6.94915 9.97763 8.40993 14.5244 14.3511 13.0886 7.86666 15.7916 numMergedOcc 0
9 mol 109 unq 2 iso 0 dist 6.86702 5.5332 9.97763 8.21889 8.40993 7.34473 9.74643 6.94915 8.58044 7 10.4255 13.6787 6.73011 6.29161 11.0751 numMergedOcc 0
10 mol 109 unq 3 iso 0 dist 6.86702 5.5332 9.97763 8.21889 8.40993 7.34473 9.74643 6.94915 8.58044 7 14.5244 15.7916 13.0886 7.86666 14.3511 numMergedOcc 0
11 mol 117 unq 0 iso 0 dist 7.70533 14.3476 7.90328 14.7579 7.22206 7.83136 16.223 9.3584 7.0603 7.21564 17.1363 10.4223 3.55765 8.19331 8.85711 numMergedOcc 0
12 mol 117 unq 1 iso 0 dist 7.70533 14.3476 7.90328 16.223 9.3584 7.0603 14.7579 7.22206 7.83136 7.21564 17.1363 10.4223 3.55765 8.85711 8.19331 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 8.97145 14.257 6.85062 19.4361 10.7062 8.40312 14.5129 6.63273 7.12972 5.55373 17.9394 10.7579 3.98662 9.27976 10.0551 numMergedOcc 0
14 mol 131 unq 1 iso 0 dist 6.5874 7.60371 6.85062 15.1013 10.7062 8.40312 11.4628 6.63273 7.12972 5.55373 10.5808 10.7579 3.98662 9.27976 10.0551 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 9.48243 11.6637 9.91388 14.1743 6.761 7.24514 11.0972 6.69554 9.52634 7.6656 15.5467 12.4934 5.03174 8.26547 13.5471 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 8.89982 13.2491 8.56324 14.5119 7.65448 6.70283 18.3598 10.6875 7.16148 5.49936 9.0696 6.59889 5.39112 6.70693 10.4895 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 6.56437 14.2632 8.95269 9.2491 4.70378 6.57273 17.4981 11.5372 5.78342 8.49799 17.3416 13.2325 7.05804 8.79428 6.8692 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 6.56437 14.2632 8.95269 17.4981 11.5372 5.78342 9.2491 4.70378 6.57273 8.49799 17.3416 13.2325 7.05804 6.8692 8.79428 numMergedOcc 0
19 mol 224 unq 2 iso 0 dist 6.23882 15.0038 8.95269 10.6031 4.70378 6.57273 17.1183 11.5372 5.78342 8.49799 19.3496 13.2325 7.05804 8.79428 6.8692 numMergedOcc 0
20 mol 224 unq 3 iso 0 dist 6.23882 15.0038 8.95269 17.1183 11.5372 5.78342 10.6031 4.70378 6.57273 8.49799 19.3496 13.2325 7.05804 6.8692 8.79428 numMergedOcc 0
21 mol 224 unq 4 iso 0 dist 9.53131 9.59595 8.95269 10.7064 4.70378 6.57273 15.1912 11.5372 5.78342 8.49799 14.8986 13.2325 7.05804 8.79428 6.8692 numMergedOcc 0
22 mol 224 unq 5 iso 0 dist 9.53131 9.59595 8.95269 15.1912 11.5372 5.78342 10.7064 4.70378 6.57273 8.49799 14.8986 13.2325 7.05804 6.8692 8.79428 numMergedOcc 0
23 mol 224 unq 6 iso 0 dist 9.34636 5.63485 8.95269 9.79616 4.70378 6.57273 10.0081 11.5372 5.78342 8.49799 12.65 13.2325 7.05804 8.79428 6.8692 numMergedOcc 0
24 mol 224 unq 7 iso 0 dist 9.34636 5.63485 8.95269 10.0081 11.5372 5.78342 9.79616 4.70378 6.57273 8.49799 12.65 13.2325 7.05804 6.8692 8.79428 numMergedOcc 0
25 mol 224 unq 8 iso 0 dist 9.79616 5.63485 6.57273 10.0081 8.49799 5.78342 9.34636 4.70378 8.95269 11.5372 12.65 8.79428 7.05804 6.8692 13.2325 numMergedOcc 0
26 mol 224 unq 9 iso 0 dist 9.79616 9.36962 6.60589 14.828 6.77699 6.65832 10.0081 8.49799 9.16166 11.328 12.65 8.79428 5.76843 6.99769 6.8692 numMergedOcc 0
27 mol 224 unq 10 iso 0 dist 9.79616 9.36962 6.60589 10.0081 8.49799 9.16166 14.828 6.77699 6.65832 11.328 12.65 8.79428 5.76843 6.8692 6.99769 numMergedOcc 0
28 mol 224 unq 11 iso 0 dist 9.29703 4.8786 5.78342 11.1052 8.49799 6.57273 12.8171 11.5372 8.95269 4.70378 9.56183 6.8692 7.05804 8.79428 13.2325 numMergedOcc 0
29 mol 224 unq 12 iso 0 dist 9.29703 7.18448 9.16166 13.5897 11.328 6.65832 11.1052 8.49799 6.60589 6.77699 9.56183 6.8692 5.76843 6.99769 8.79428 numMergedOcc 0
30 mol 224 unq 13 iso 0 dist 9.29703 7.18448 9.16166 11.1052 8.49799 6.60589 13.5897 11.328 6.65832 6.77699 9.56183 6.8692 5.76843 8.79428 6.99769 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 7.93997 14.8465 7.46176 13.8509 6.96053 7.88519 14.9816 7.64658 7.84554 4.86771 7.80863 6.95511 11.6988 9.46361 12.8903 numMergedOcc 0
32 mol 259 unq 1 iso 0 dist 7.93997 14.8465 7.46176 13.8509 6.96053 7.88519 17.3348 10.5239 9.18903 10.4881 7.80863 6.95511 11.6988 9.46361 17.104 numMergedOcc 0
