0 mol 58 unq 0 iso 0 dist 9.55426 6.81627 9.7274 7.32874 5.90225 5.47421 10.6169 9.4099 15.2973 11.396 5.61579 13.1897 5.38524 8.69057 15.561 11.715 14.4309 5.79773 10.8779 20.9207 8.66539 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 9.55426 7.32874 5.90225 6.81627 9.7274 5.47421 10.6169 9.4099 11.396 15.2973 5.61579 13.1897 8.69057 5.38524 15.561 11.715 14.4309 10.8779 5.79773 20.9207 8.66539 numMergedOcc 0
2 mol 60 unq 0 iso 0 dist 6.43294 8.7531 5.67502 8.33063 10.1562 7.29309 10.6819 6.65595 11.1899 16.4714 8.62476 7.57295 8.4312 12.8147 7.80499 11.5843 6.54743 5.00018 12.2509 8.90863 7.48086 numMergedOcc 0
3 mol 60 unq 1 iso 0 dist 6.43294 8.7531 5.67502 8.33063 10.1562 7.29309 11.3621 9.25011 12.4656 17.3965 8.62476 7.57295 8.4312 12.8147 5.6397 11.5843 6.54743 5.00018 12.2509 10.0828 7.48086 numMergedOcc 0
4 mol 60 unq 2 iso 0 dist 6.43294 8.7531 5.67502 8.33063 10.1562 7.29309 5.51199 8.52121 11.6311 13.1051 8.62476 7.57295 8.4312 12.8147 6.55502 11.5843 6.54743 5.00018 12.2509 12.4757 7.48086 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 15.7123 9.38498 20.257 10.2049 11.2069 13.3207 5.5087 13.8368 19.0013 16.0098 18.8875 8.07446 19.3309 24.0808 5.61588 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 15.7123 9.38498 20.257 10.2049 10.6713 14.498 6.08682 14.5999 21.9204 16.0098 18.8875 8.07446 19.3309 24.0808 7.83244 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 12.016 9.75218 10.1207 11.6369 11.2069 13.3207 5.5087 13.8368 6.19168 16.0098 18.8875 8.07446 19.3309 10.7428 5.61588 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 12.016 9.75218 10.1207 11.6369 10.6713 14.498 6.08682 14.5999 10.532 16.0098 18.8875 8.07446 19.3309 10.7428 7.83244 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 9.35224 9.60661 7.80879 7.17106 8.87654 11.5403 5.88134 6.56369 6.65086 10.5134 4.03277 11.5088 8.91882 10.5432 6.23008 10.1489 15.1999 10.8375 10.8586 13.2001 9.21662 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 5.33144 6.45675 10.1409 11.8665 6.23008 9.76432 8.91882 11.5088 5.16579 13.2001 16.3949 10.8375 15.1999 14.1071 9.21662 numMergedOcc 0
11 mol 100 unq 2 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 10.1407 8.86688 14.9102 13.6959 6.23008 9.76432 8.91882 11.5088 14.4607 13.2001 16.3949 10.8375 15.1999 22.831 9.21662 numMergedOcc 0
12 mol 100 unq 3 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 5.33144 6.45675 10.1409 13.912 6.23008 9.76432 8.91882 11.6812 5.16579 13.2001 16.3949 10.8375 11.2306 14.1071 9.21662 numMergedOcc 0
13 mol 100 unq 4 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 10.1407 8.86688 14.9102 18.2109 6.23008 9.76432 8.91882 11.6812 14.4607 13.2001 16.3949 10.8375 11.2306 22.831 9.21662 numMergedOcc 0
14 mol 100 unq 5 iso 0 dist 6.56369 6.65086 7.80879 7.47343 12.6515 8.8807 5.88134 9.35224 9.60661 12.0662 6.23008 11.5088 8.91882 9.76432 4.03277 13.2001 15.1999 10.8375 16.3949 10.1489 9.21662 numMergedOcc 0
15 mol 100 unq 6 iso 0 dist 6.56369 6.65086 7.80879 9.30209 6.39938 5.38414 5.88134 9.35224 9.60661 10.5853 6.23008 11.5088 8.91882 11.6812 4.03277 13.2001 15.1999 10.8375 11.2306 10.1489 9.21662 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 9.52634 7.24514 7.6656 9.91388 6.69554 6.761 9.56949 6.5107 12.0352 9.66421 5.03174 13.5471 8.26547 12.4934 14.5233 10.2995 12.4308 5.61668 8.28069 16.0362 9.05342 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 6.49416 8.80819 5.00817 6.81259 9.86662 9.71307 12.5075 8.06642 7.21868 7.93372 11.988 4.00092 11.7385 5.62899 10.7144 12.8168 11.3835 9.66543 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 6.37586 8.94367 5.49782 6.49416 5.00817 8.80819 6.81259 9.71307 9.86662 12.5075 8.06642 7.93372 7.21868 11.988 4.00092 11.7385 10.7144 5.62899 12.8168 11.3835 9.66543 numMergedOcc 0
19 mol 134 unq 2 iso 0 dist 6.49416 8.94367 8.80819 6.37586 5.00817 5.49782 5.00526 6.54501 11.9139 9.5126 8.06642 11.988 7.21868 7.93372 12.847 11.7385 12.8168 5.62899 10.7144 13.8307 9.66543 numMergedOcc 0
20 mol 134 unq 3 iso 0 dist 6.49416 6.37586 5.00817 8.94367 8.80819 5.49782 5.00526 6.54501 9.5126 11.9139 8.06642 11.988 7.93372 7.21868 12.847 11.7385 12.8168 10.7144 5.62899 13.8307 9.66543 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 5.98885 9.1374 8.88798 9.15386 5.16002 12.1628 10.1912 9.09537 15.0228 12.9862 12.9532 13.2783 9.76212 18.2853 12.7791 9.94371 12.6324 6.01247 16.5106 16.2058 8.59874 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 8.87694 7.54065 5.74635 9.70748 14.9058 13.8792 9.50685 9.09754 10.7914 18.6929 11.0961 11.456 6.61112 18.4751 12.4091 14.4482 10.3628 7.09479 18.5655 16.8032 8.90571 numMergedOcc 0
23 mol 224 unq 0 iso 0 dist 6.57273 5.78342 8.49799 8.95269 4.70378 11.5372 5.0744 6.60589 9.16166 9.99123 7.05804 8.79428 6.8692 13.2325 5.76843 10.103 6.77699 11.328 10.9861 6.65832 6.99769 numMergedOcc 0
24 mol 224 unq 1 iso 0 dist 5.78342 6.57273 8.49799 8.95269 11.5372 4.70378 5.0744 9.16166 6.60589 9.99123 7.05804 6.8692 8.79428 13.2325 5.76843 10.103 11.328 6.77699 10.9861 6.65832 6.99769 numMergedOcc 0
25 mol 224 unq 2 iso 0 dist 5.78342 6.57273 8.49799 8.95269 11.5372 4.70378 5.60236 5.81334 10.5128 14.0676 7.05804 6.8692 8.79428 13.2325 4.54188 10.103 11.328 6.77699 10.9861 10.9745 6.99769 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 7.88519 7.46176 6.96053 7.84554 4.86771 7.64658 4.69778 8.13497 10.3935 9.95973 10.067 10.3406 5.85442 12.8546 11.4598 12.0576 15.8535 9.98105 16.9228 14.517 6.9899 numMergedOcc 0
27 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 9.18903 10.4881 10.5239 4.69778 8.13497 10.3935 12.6839 10.067 10.3406 5.85442 16.0301 11.4598 12.0576 15.8535 9.98105 17.9439 14.517 6.9899 numMergedOcc 0
