0 mol 7 unq 0 iso 0 dist 8.41585 9.68596 14.7759 13.5229 7.78327 16.2245 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 9.97507 7.48342 12.1303 6.49982 8.28153 12.9387 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 4.51865 8.40416 7.08342 4.44441 7.7312 12.7679 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 6.864 7.75618 7.08342 10.0411 7.7312 12.7679 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.86014 9.41441 6.66749 8.66248 7.49157 11.4816 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 6.86014 9.41441 6.66749 6.73521 7.73794 12.7944 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 5.54419 8.4051 5.11617 6.7846 8.23075 7.85986 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 5.54419 8.4051 5.11617 8.03955 4.7841 4.30252 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 5.54419 8.23446 13.1779 6.7846 8.23075 7.8619 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 5.54419 8.23446 13.1779 8.03955 4.7841 13.3176 numMergedOcc 0
10 mol 24 unq 6 iso 0 dist 5.54419 8.75662 10.8238 6.7846 8.23075 11.0098 numMergedOcc 0
11 mol 24 unq 7 iso 0 dist 5.54419 8.75662 10.8238 8.03955 4.7841 12.496 numMergedOcc 0
12 mol 25 unq 0 iso 0 dist 6.03987 6.85556 5.68392 9.92243 7.03372 11.386 numMergedOcc 0
13 mol 43 unq 0 iso 0 dist 8.80331 8.95682 6.18002 9.86609 7.39848 12.8435 numMergedOcc 0
14 mol 58 unq 0 iso 0 dist 6.81627 7.21955 7.09066 4.25144 7.4785 9.97953 numMergedOcc 0
15 mol 58 unq 1 iso 0 dist 7.32874 7.21955 7.12541 8.44881 8.34191 12.2293 numMergedOcc 0
16 mol 58 unq 2 iso 0 dist 7.32874 7.21955 7.12541 4.25144 6.39747 9.97953 numMergedOcc 0
17 mol 58 unq 3 iso 0 dist 6.86465 8.80614 10.2049 4.59417 9.23438 6.41008 numMergedOcc 0
18 mol 58 unq 4 iso 0 dist 6.35756 8.80614 5.49591 4.59417 7.17488 6.41008 numMergedOcc 0
19 mol 73 unq 0 iso 0 dist 8.70481 9.24757 15.3808 15.1432 7.37171 22.417 numMergedOcc 0
20 mol 85 unq 0 iso 0 dist 7.95579 7.54568 10.2865 8.37717 9.01812 15.3758 numMergedOcc 0
21 mol 95 unq 0 iso 0 dist 9.03572 9.49454 13.3662 4.73066 7.51733 13.7457 numMergedOcc 0
22 mol 95 unq 1 iso 0 dist 8.83255 9.49454 12.0666 4.73066 9.01607 13.7457 numMergedOcc 0
23 mol 98 unq 0 iso 0 dist 5.08437 6.7117 7.06961 8.29813 7.92856 13.6994 numMergedOcc 0
24 mol 98 unq 1 iso 0 dist 6.10456 4.47349 7.06961 12.7473 7.92856 13.6994 numMergedOcc 0
25 mol 101 unq 0 iso 0 dist 6.57035 6.98314 5.53055 7.89838 9.23765 13.154 numMergedOcc 0
26 mol 113 unq 0 iso 0 dist 5.86073 8.8822 10.1816 13.0914 9.59585 9.34113 numMergedOcc 0
27 mol 113 unq 1 iso 0 dist 5.86073 8.8822 10.1816 12.5818 9.7073 14.2952 numMergedOcc 0
28 mol 113 unq 2 iso 0 dist 5.86073 9.66219 8.42718 13.0914 9.59585 5.35711 numMergedOcc 0
29 mol 113 unq 3 iso 0 dist 5.86073 9.66219 8.42718 12.5818 9.7073 11.8845 numMergedOcc 0
30 mol 115 unq 0 iso 0 dist 6.90986 5.88249 5.31484 6.34182 5.93278 9.24302 numMergedOcc 0
31 mol 115 unq 1 iso 0 dist 6.90986 5.88249 5.31484 8.66957 6.19918 10.7582 numMergedOcc 0
32 mol 115 unq 2 iso 0 dist 5.39945 6.97707 5.31484 3.98154 5.93278 9.24302 numMergedOcc 0
33 mol 115 unq 3 iso 0 dist 5.39945 6.97707 5.31484 6.61688 6.19918 10.7582 numMergedOcc 0
34 mol 131 unq 0 iso 0 dist 6.85062 9.90168 13.7237 11.6692 8.80895 17.1537 numMergedOcc 0
35 mol 133 unq 0 iso 0 dist 6.5107 6.66772 7.12976 6.12885 5.78814 10.218 numMergedOcc 0
36 mol 143 unq 0 iso 0 dist 5.99315 7.78652 6.48978 6.75249 8.64905 13.6073 numMergedOcc 0
37 mol 143 unq 1 iso 0 dist 5.99315 8.91301 5.20762 6.75249 8.64905 12.9862 numMergedOcc 0
38 mol 167 unq 0 iso 0 dist 9.87651 9.67741 13.0123 12.8624 5.36671 18.0601 numMergedOcc 0
39 mol 180 unq 0 iso 0 dist 9.62337 5.85827 8.78204 4.38407 9.63576 9.14663 numMergedOcc 0
40 mol 181 unq 0 iso 0 dist 7.81386 9.39829 7.20191 6.13927 8.29467 13.0634 numMergedOcc 0
41 mol 181 unq 1 iso 0 dist 7.63312 5.9176 5.63555 13.2274 8.29467 12.0951 numMergedOcc 0
42 mol 181 unq 2 iso 0 dist 7.63312 6.41453 7.20191 13.2274 8.29467 13.0634 numMergedOcc 0
43 mol 205 unq 0 iso 0 dist 7.26832 6.03688 12.4957 13.3822 7.13783 17.7232 numMergedOcc 0
44 mol 231 unq 0 iso 0 dist 7.37839 6.98875 6.37275 16.456 9.9868 16.0391 numMergedOcc 0
45 mol 231 unq 1 iso 0 dist 7.37839 6.98875 6.37275 6.63423 7.3268 10.3577 numMergedOcc 0
46 mol 231 unq 2 iso 0 dist 8.40182 6.54852 6.37275 17.7601 9.9868 16.0391 numMergedOcc 0
47 mol 231 unq 3 iso 0 dist 8.40182 6.54852 6.37275 10.3815 7.3268 10.3577 numMergedOcc 0
48 mol 232 unq 0 iso 0 dist 8.27212 9.40808 4.9377 4.04428 8.25985 9.78273 numMergedOcc 0
49 mol 232 unq 1 iso 0 dist 8.27212 9.40808 4.9377 4.22149 9.27788 11.9664 numMergedOcc 0
50 mol 274 unq 0 iso 0 dist 7.56915 8.52587 5.29529 4.24652 9.83622 9.2199 numMergedOcc 0
