0 mol 58 unq 0 iso 0 dist 8.52969 4.98107 9.55426 12.9126 8.26899 10.3782 7.15486 10.6169 9.4099 13.7148 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 7.67586 11.7065 7.71095 10.9894 6.71911 5.33688 18.2379 12.5396 8.84665 12.8699 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 7.67586 11.7065 7.71095 10.9894 6.71911 5.33688 13.1891 8.19458 8.25513 11.6249 numMergedOcc 0
3 mol 59 unq 2 iso 0 dist 8.97292 14.1347 7.71095 9.55542 6.71911 5.33688 20.4157 12.5396 8.84665 12.8699 numMergedOcc 0
4 mol 59 unq 3 iso 0 dist 8.97292 14.1347 7.71095 9.55542 6.71911 5.33688 17.0558 8.19458 8.25513 11.6249 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 5.09688 12.2879 7.47343 10.6273 8.72704 10.1589 13.6601 8.8807 6.65086 10.5193 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 5.09688 12.2879 7.47343 10.6273 8.72704 10.1589 17.6466 12.6515 6.56369 15.8984 numMergedOcc 0
7 mol 100 unq 2 iso 0 dist 5.09688 12.2879 7.47343 10.6273 8.72704 10.1589 18.8484 13.887 9.30209 14.8726 numMergedOcc 0
8 mol 100 unq 3 iso 0 dist 9.26343 16.4386 7.47343 11.6898 8.72704 10.1589 16.1978 8.8807 6.65086 10.5193 numMergedOcc 0
9 mol 100 unq 4 iso 0 dist 9.26343 16.4386 7.47343 11.6898 8.72704 10.1589 21.6939 12.6515 6.56369 15.8984 numMergedOcc 0
10 mol 100 unq 5 iso 0 dist 9.26343 16.4386 7.47343 11.6898 8.72704 10.1589 21.5791 13.887 9.30209 14.8726 numMergedOcc 0
11 mol 117 unq 0 iso 0 dist 9.41387 9.3855 7.90328 6.69306 6.62561 4.91401 13.8525 7.22206 7.83136 7.63616 numMergedOcc 0
12 mol 117 unq 1 iso 0 dist 9.41387 9.3855 7.90328 6.69306 6.62561 4.91401 15.4634 9.3584 7.0603 10.6107 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 9.69757 6.82985 7.12972 12.4356 8.6243 6.19596 6.38977 5.55373 8.40312 12.5969 numMergedOcc 0
14 mol 131 unq 1 iso 0 dist 9.69757 6.82985 7.12972 12.4356 8.6243 6.19596 12.5659 6.63273 6.85062 6.91348 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 6.99089 10.1742 6.54501 15.1358 8.6355 10.1448 9.54911 5.79898 9.89303 12.0514 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 6.99089 12.6542 6.49416 15.1358 8.6355 5.41704 15.1189 8.80819 8.94367 8.79571 numMergedOcc 0
17 mol 134 unq 2 iso 0 dist 6.99089 12.6542 6.49416 15.1358 8.6355 5.41704 11.6481 5.00817 6.37586 5.42582 numMergedOcc 0
18 mol 156 unq 0 iso 0 dist 7.80643 6.52984 7.44554 5.58352 9.36805 6.29785 12.2418 5.56175 8.94056 13.1853 numMergedOcc 0
19 mol 156 unq 1 iso 0 dist 7.80643 6.52984 7.44554 5.58352 9.36805 6.29785 10.8849 8.38403 9.83699 7.55203 numMergedOcc 0
20 mol 175 unq 0 iso 0 dist 8.50904 8.09861 9.0018 14.6248 9.31887 11.0415 7.04318 6.2715 5.6234 12.816 numMergedOcc 0
21 mol 175 unq 1 iso 0 dist 8.50904 8.09861 9.0018 14.6248 9.31887 11.0415 11.9173 8.16421 6.57069 11.3137 numMergedOcc 0
22 mol 175 unq 2 iso 0 dist 8.50904 10.1323 7.652 14.6248 9.31887 5.0384 7.04318 6.2715 9.92231 12.816 numMergedOcc 0
23 mol 175 unq 3 iso 0 dist 7.04318 8.09861 5.6234 6.61225 9.0664 5.28109 8.50904 6.2715 9.0018 10.689 numMergedOcc 0
24 mol 175 unq 4 iso 0 dist 7.04318 8.09861 5.6234 6.61225 9.0664 5.28109 11.9173 5.35493 6.57069 11.5506 numMergedOcc 0
25 mol 175 unq 5 iso 0 dist 7.04318 10.1323 9.92231 6.61225 9.0664 7.14477 8.50904 6.2715 7.652 10.689 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 6.96824 8.76337 7.63312 5.54495 6.93764 4.80231 14.2075 8.85576 7.81386 11.4148 numMergedOcc 0
27 mol 181 unq 1 iso 0 dist 9.25528 18.2027 9.1374 14.3955 6.94688 6.25083 20.7774 13.2049 8.03334 12.1309 numMergedOcc 0
28 mol 181 unq 2 iso 0 dist 9.25528 18.2027 9.1374 15.6271 6.71012 4.77278 20.7774 13.2049 8.03334 12.2058 numMergedOcc 0
29 mol 181 unq 3 iso 0 dist 9.25528 11.4901 5.98885 14.3955 6.94688 5.86342 11.3822 10.1912 9.09537 14.4632 numMergedOcc 0
30 mol 181 unq 4 iso 0 dist 9.25528 11.4901 5.98885 15.6271 6.71012 9.14057 11.3822 10.1912 9.09537 15.4777 numMergedOcc 0
31 mol 227 unq 0 iso 0 dist 6.18486 6.78651 7.55216 5.31715 8.83563 11.662 9.93154 9.51866 9.34734 14.4583 numMergedOcc 0
32 mol 227 unq 1 iso 0 dist 6.18486 6.78651 7.55216 5.31715 8.83563 11.662 10.7118 12.4689 7.22101 15.9414 numMergedOcc 0
33 mol 227 unq 2 iso 0 dist 6.18486 6.78651 7.55216 5.31715 8.83563 11.662 13.6059 12.9332 8.65997 18.8667 numMergedOcc 0
34 mol 227 unq 3 iso 0 dist 6.18486 6.78651 7.55216 5.31715 8.83563 11.662 9.18218 4.48529 7.56888 12.9801 numMergedOcc 0
35 mol 272 unq 0 iso 0 dist 7.22438 10.3544 8.33638 6.68919 6.73206 5.63139 7.66615 5.40809 8.46116 9.09992 numMergedOcc 0
36 mol 272 unq 1 iso 0 dist 7.66615 10.3544 8.46116 6.68919 9.09992 5.63139 7.22438 5.40809 8.33638 6.73206 numMergedOcc 0
37 mol 272 unq 2 iso 0 dist 7.66615 10.3544 8.46116 8.13036 6.16449 8.52877 7.22438 5.40809 8.33638 10.1966 numMergedOcc 0
38 mol 282 unq 0 iso 0 dist 7.90792 8.93697 6.33524 6.63358 7.32347 6.3384 10.9708 5.39891 8.04483 6.85028 numMergedOcc 0
39 mol 282 unq 1 iso 0 dist 7.90792 8.93697 6.33524 6.63358 7.32347 6.3384 7.70229 4.66602 8.76532 10.4802 numMergedOcc 0
