0 mol 53 unq 0 iso 0 dist 9.99188 10.2062 7.09169 11.1037 4.75776 8.19773 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 7.01303 4.76162 8.86674 9.92624 8.48184 6.89636 numMergedOcc 0
2 mol 92 unq 1 iso 0 dist 7.01303 4.76162 8.86674 7.6296 9.01011 6.09514 numMergedOcc 0
3 mol 93 unq 0 iso 0 dist 7.46327 12.3373 9.81831 8.69953 5.51624 11.6865 numMergedOcc 0
4 mol 93 unq 1 iso 0 dist 7.46327 12.3373 9.81831 8.48621 7.8674 12.2598 numMergedOcc 0
5 mol 93 unq 2 iso 0 dist 7.46327 11.6592 9.12858 8.69953 5.51624 7.64463 numMergedOcc 0
6 mol 93 unq 3 iso 0 dist 7.46327 11.6592 9.12858 8.48621 7.8674 14.8533 numMergedOcc 0
7 mol 93 unq 4 iso 0 dist 7.46327 6.09816 9.4523 8.69953 5.51624 8.29171 numMergedOcc 0
8 mol 93 unq 5 iso 0 dist 7.46327 6.09816 9.4523 8.48621 7.8674 12.7936 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 5.48788 6.69791 5.88354 5.36923 7.63183 10.7735 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 5.48788 6.7822 7.89665 5.36923 7.63183 9.38161 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 5.48788 9.86407 5.39354 5.36923 7.63183 10.5878 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 5.48788 10.9221 5.74854 5.36923 7.63183 13.1711 numMergedOcc 0
13 mol 98 unq 4 iso 0 dist 5.48788 9.71558 8.76566 5.36923 7.63183 7.42291 numMergedOcc 0
14 mol 98 unq 5 iso 0 dist 5.48788 11.3525 8.8368 5.36923 7.63183 8.01486 numMergedOcc 0
15 mol 112 unq 0 iso 0 dist 9.13886 5.40087 7.23962 5.64926 9.74569 6.89221 numMergedOcc 0
16 mol 112 unq 1 iso 0 dist 9.13886 9.53485 9.00067 5.64926 9.74569 5.52645 numMergedOcc 0
17 mol 112 unq 2 iso 0 dist 9.13886 13.9695 9.89499 5.64926 9.74569 9.88449 numMergedOcc 0
18 mol 112 unq 3 iso 0 dist 9.13886 11.6264 7.30204 5.64926 9.74569 9.96887 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 8.92412 4.37081 6.69515 12.845 8.26172 9.76015 numMergedOcc 0
20 mol 141 unq 1 iso 0 dist 8.92412 6.23566 7.86572 12.845 8.26172 8.24418 numMergedOcc 0
21 mol 141 unq 2 iso 0 dist 6.97579 10.5394 6.69515 6.54963 8.26172 9.76015 numMergedOcc 0
22 mol 141 unq 3 iso 0 dist 6.97579 12.1215 7.86572 6.54963 8.26172 8.24418 numMergedOcc 0
23 mol 147 unq 0 iso 0 dist 9.60646 8.07266 5.49226 16.8694 9.23528 9.02993 numMergedOcc 0
24 mol 147 unq 1 iso 0 dist 9.60646 5.83569 6.28351 16.8694 9.23528 14.4247 numMergedOcc 0
25 mol 156 unq 0 iso 0 dist 6.96911 8.96288 7.73169 6.03398 4.9941 5.82636 numMergedOcc 0
26 mol 163 unq 0 iso 0 dist 7.67051 7.75508 8.38738 6.25864 7.3546 6.94217 numMergedOcc 0
27 mol 171 unq 0 iso 0 dist 8.2866 5.64994 9.11712 6.71449 9.75627 8.26419 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 9.67802 18.5326 9.83476 14.8027 8.12349 6.87725 numMergedOcc 0
29 mol 186 unq 1 iso 0 dist 9.18314 7.37734 9.83476 6.14396 8.12349 6.87725 numMergedOcc 0
30 mol 218 unq 0 iso 0 dist 7.84953 6.66456 6.29367 13.3105 8.93185 6.90702 numMergedOcc 0
31 mol 218 unq 1 iso 0 dist 7.84953 5.09263 5.76954 13.3105 8.93185 10.4526 numMergedOcc 0
32 mol 218 unq 2 iso 0 dist 7.84953 10.1782 9.20961 13.3105 8.93185 8.94041 numMergedOcc 0
33 mol 218 unq 3 iso 0 dist 4.57726 6.66456 8.86175 8.98232 9.06334 9.46742 numMergedOcc 0
34 mol 218 unq 4 iso 0 dist 4.57726 5.09263 6.29511 8.98232 9.06334 11.438 numMergedOcc 0
35 mol 225 unq 0 iso 0 dist 7.10883 6.7444 6.6561 8.96094 6.53728 4.76151 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 8.24118 10.2134 6.66971 15.4849 9.89583 10.7508 numMergedOcc 0
37 mol 238 unq 1 iso 0 dist 8.24118 12.8163 6.4398 15.4849 9.89583 5.87253 numMergedOcc 0
38 mol 238 unq 2 iso 0 dist 8.24118 5.88384 7.32982 15.4849 9.89583 10.7551 numMergedOcc 0
39 mol 252 unq 0 iso 0 dist 9.27529 7.66494 6.53679 10.4532 8.55481 6.28227 numMergedOcc 0
40 mol 252 unq 1 iso 0 dist 9.27529 12.8993 7.50201 10.4532 8.55481 5.25252 numMergedOcc 0
41 mol 258 unq 0 iso 0 dist 8.82933 6.62225 6.70815 8.76033 6.47194 6.6525 numMergedOcc 0
42 mol 258 unq 1 iso 0 dist 8.82933 12.4255 7.99477 8.76033 6.47194 5.27959 numMergedOcc 0
43 mol 294 unq 0 iso 0 dist 4.37724 9.41638 7.91611 10.0048 7.41079 6.21267 numMergedOcc 0
