0 mol 52 unq 0 iso 0 dist 7.68916 11.9986 9.80098 10.6328 7.18176 5.93337 9.04053 6.31696 11.6682 6.29814 numMergedOcc 0
1 mol 52 unq 1 iso 0 dist 7.68916 13.3091 7.34143 10.6328 7.18176 4.5482 9.04053 6.31696 6.66056 6.29814 numMergedOcc 0
2 mol 52 unq 2 iso 0 dist 7.47417 8.90624 9.80098 10.4155 7.18176 5.93337 11.8458 6.31696 11.6682 6.29814 numMergedOcc 0
3 mol 52 unq 3 iso 0 dist 7.47417 13.0115 7.34143 10.4155 7.18176 4.5482 11.8458 6.31696 6.66056 6.29814 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 7.51978 10.6355 9.5589 5.59128 5.02241 6.91765 13.9555 7.21717 15.293 11.0681 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 7.51978 6.43082 6.83299 5.59128 5.02241 5.06052 13.9555 7.21717 13.86 11.0681 numMergedOcc 0
6 mol 54 unq 2 iso 0 dist 7.51978 11.7347 8.10861 5.59128 5.02241 10.1332 13.9555 7.21717 5.99981 11.0681 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 8.52969 11.6772 6.81627 12.9126 8.26899 5.98837 6.10173 7.21955 7.09066 10.8421 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 8.52969 9.0406 7.32874 12.9126 8.26899 4.55117 6.10173 7.21955 7.12541 10.8421 numMergedOcc 0
9 mol 58 unq 2 iso 0 dist 8.52969 4.98107 9.55426 12.9126 8.26899 10.3782 6.10173 7.21955 5.74871 10.8421 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 5.09688 9.65979 6.45675 10.6273 8.72704 7.2495 6.29383 7.38135 7.11701 11.0949 numMergedOcc 0
11 mol 100 unq 1 iso 0 dist 5.09688 12.2879 7.47343 10.6273 8.72704 10.1589 6.29383 7.38135 11.2312 11.0949 numMergedOcc 0
12 mol 100 unq 2 iso 0 dist 5.09688 10.2364 8.86688 10.6273 8.72704 15.9331 6.29383 7.38135 7.79768 11.0949 numMergedOcc 0
13 mol 100 unq 3 iso 0 dist 9.26343 13.666 6.45675 11.6898 8.72704 7.2495 10.728 7.38135 7.11701 11.0949 numMergedOcc 0
14 mol 100 unq 4 iso 0 dist 9.26343 16.4386 7.47343 11.6898 8.72704 10.1589 10.728 7.38135 11.2312 11.0949 numMergedOcc 0
15 mol 100 unq 5 iso 0 dist 9.26343 15.5646 8.86688 11.6898 8.72704 15.9331 10.728 7.38135 7.79768 11.0949 numMergedOcc 0
16 mol 114 unq 0 iso 0 dist 5.87387 6.4595 7.5732 6.2394 8.71128 5.80557 10.6075 6.84011 7.436 9.23527 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 6.99089 10.1742 6.54501 15.1358 8.6355 10.1448 10.0674 7.80532 7.41674 14.1488 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 6.99089 12.6542 6.49416 15.1358 8.6355 5.41704 10.0674 7.80532 9.87376 14.1488 numMergedOcc 0
19 mol 156 unq 0 iso 0 dist 7.80643 6.52984 7.44554 5.58352 9.36805 6.29785 11.7605 9.44367 5.4555 10.143 numMergedOcc 0
20 mol 156 unq 1 iso 0 dist 7.80643 6.52984 7.44554 5.58352 9.36805 6.29785 5.95655 9.47433 11.9952 10.0003 numMergedOcc 0
21 mol 167 unq 0 iso 0 dist 6.64164 5.361 9.87651 6.90242 8.62646 6.58937 10.2539 9.67741 13.0123 7.31643 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 6.96824 8.76337 7.63312 5.54495 6.93764 4.80231 4.75774 5.9176 5.63555 5.60306 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 6.96824 8.76337 7.63312 5.54495 6.93764 4.80231 9.91956 6.41453 7.20191 6.05477 numMergedOcc 0
24 mol 181 unq 2 iso 0 dist 9.25528 18.2027 9.1374 14.3955 6.94688 6.25083 15.4597 8.90963 8.91338 4.43678 numMergedOcc 0
25 mol 181 unq 3 iso 0 dist 9.25528 18.2027 9.1374 15.6271 6.71012 4.77278 15.4597 8.90963 8.91338 6.03415 numMergedOcc 0
26 mol 181 unq 4 iso 0 dist 9.25528 11.4901 5.98885 14.3955 6.94688 5.86342 15.4597 8.90963 9.81073 4.43678 numMergedOcc 0
27 mol 181 unq 5 iso 0 dist 9.25528 11.4901 5.98885 15.6271 6.71012 9.14057 15.4597 8.90963 9.81073 6.03415 numMergedOcc 0
28 mol 181 unq 6 iso 0 dist 9.25528 11.9545 9.15386 14.3955 6.94688 6.80228 15.4597 8.90963 9.34211 4.43678 numMergedOcc 0
29 mol 181 unq 7 iso 0 dist 9.25528 11.9545 9.15386 15.6271 6.71012 11.6919 15.4597 8.90963 9.34211 6.03415 numMergedOcc 0
30 mol 182 unq 0 iso 0 dist 6.31492 7.48422 9.31746 5.37421 6.73313 11.1088 7.00671 6.73956 7.68794 5.8726 numMergedOcc 0
31 mol 182 unq 1 iso 0 dist 6.31492 7.48422 9.31746 5.37421 6.73313 11.1088 11.1247 7.09394 9.37404 10.7622 numMergedOcc 0
32 mol 182 unq 2 iso 0 dist 7.8621 6.98787 9.31746 13.0784 6.73313 11.1088 9.23913 6.73956 7.68794 5.8726 numMergedOcc 0
33 mol 182 unq 3 iso 0 dist 7.8621 6.98787 9.31746 13.0784 6.73313 11.1088 5.77163 7.09394 9.37404 10.7622 numMergedOcc 0
34 mol 204 unq 0 iso 0 dist 7.92766 14.0488 7.10633 13.2566 5.90931 5.09262 15.254 9.68728 7.67571 11.145 numMergedOcc 0
35 mol 204 unq 1 iso 0 dist 7.92766 7.58285 8.51516 13.2566 5.90931 12.9483 15.254 9.68728 10.8573 11.145 numMergedOcc 0
36 mol 205 unq 0 iso 0 dist 7.36642 4.87114 6.03031 7.13867 9.19704 8.66809 10.098 6.03688 8.15057 14.6029 numMergedOcc 0
37 mol 205 unq 1 iso 0 dist 7.36642 9.43922 7.26832 7.13867 9.19704 6.23291 10.098 6.03688 12.4957 14.6029 numMergedOcc 0
38 mol 205 unq 2 iso 0 dist 7.36642 6.98312 7.80463 7.13867 9.19704 13.231 10.098 6.03688 6.09749 14.6029 numMergedOcc 0
39 mol 224 unq 0 iso 0 dist 7.69537 5.92906 9.40098 11.3668 8.19953 8.64911 9.80934 9.51597 4.98993 6.99977 numMergedOcc 0
40 mol 224 unq 1 iso 0 dist 7.69537 5.41675 6.61986 11.3668 8.19953 10.7113 9.80934 9.51597 12.4692 6.99977 numMergedOcc 0
41 mol 238 unq 0 iso 0 dist 7.13194 9.05069 5.72887 14.751 9.29858 13.069 10.0472 9.24557 14.7883 10.3809 numMergedOcc 0
42 mol 238 unq 1 iso 0 dist 7.80166 6.77788 5.72887 12.4266 9.29858 13.069 13.6806 9.24557 14.7883 10.3809 numMergedOcc 0
43 mol 249 unq 0 iso 0 dist 6.42827 8.22485 7.57994 5.63238 8.83735 5.23473 5.74889 5.48118 10.7772 10.639 numMergedOcc 0
44 mol 249 unq 1 iso 0 dist 6.42827 6.77698 6.18582 5.63238 8.83735 7.38675 5.74889 5.48118 7.04666 10.639 numMergedOcc 0
