0 mol 26 unq 0 iso 0 dist 8.06929 4.76147 5.69955 7.34549 10.6756 8.34347 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.58514 5.93227 5.69955 9.72289 10.6756 8.34347 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 9.10096 11.5552 6.77886 12.289 6.03623 8.66265 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 8.98939 8.89982 7.27383 13.4894 6.37648 6.64012 numMergedOcc 0
4 mol 60 unq 0 iso 0 dist 8.54955 12.613 9.96399 16.3635 9.62257 8.33063 numMergedOcc 0
5 mol 60 unq 1 iso 0 dist 8.54955 9.35097 7.55695 16.3635 9.62257 8.7531 numMergedOcc 0
6 mol 60 unq 2 iso 0 dist 8.54955 9.8648 8.82176 18.0227 13.0114 8.90863 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 8.64047 13.4816 8.00777 12.9998 5.08358 7.95579 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 8.64047 12.1235 7.1589 10.6752 6.37974 7.97049 numMergedOcc 0
9 mol 85 unq 2 iso 0 dist 8.64047 12.1235 7.1589 12.9998 5.08358 6.19965 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 8.53164 9.40516 6.49956 12.8485 6.86728 9.33898 numMergedOcc 0
11 mol 92 unq 1 iso 0 dist 8.53164 9.40516 6.49956 18.5398 12.163 9.64443 numMergedOcc 0
12 mol 94 unq 0 iso 0 dist 9.43351 6.14092 9.97569 10.8791 5.60279 7.89459 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 9.70095 5.06206 7.12017 11.2501 9.52882 6.45675 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 9.70095 5.06206 7.12017 10.4409 12.6602 7.47343 numMergedOcc 0
15 mol 100 unq 2 iso 0 dist 9.70095 5.06206 7.12017 11.3142 14.8674 8.86688 numMergedOcc 0
16 mol 112 unq 0 iso 0 dist 9.13886 5.40087 7.23962 12.6742 3.98564 9.60462 numMergedOcc 0
17 mol 112 unq 1 iso 0 dist 9.13886 11.6264 7.30204 12.6742 3.98564 7.45389 numMergedOcc 0
18 mol 156 unq 0 iso 0 dist 6.96911 8.96288 7.73169 11.4306 5.71107 8.34702 numMergedOcc 0
19 mol 156 unq 1 iso 0 dist 6.96911 8.96288 7.73169 15.7523 11.2067 9.06726 numMergedOcc 0
20 mol 156 unq 2 iso 0 dist 6.96911 8.96288 7.73169 15.0233 9.44399 8.33171 numMergedOcc 0
21 mol 178 unq 0 iso 0 dist 8.56251 4.51874 4.92088 5.41229 10.1489 6.69288 numMergedOcc 0
22 mol 178 unq 1 iso 0 dist 8.56251 4.51874 4.92088 8.57378 8.27339 6.43573 numMergedOcc 0
23 mol 178 unq 2 iso 0 dist 8.56251 4.51874 4.92088 10.1979 9.79302 7.17202 numMergedOcc 0
24 mol 178 unq 3 iso 0 dist 8.56251 4.51874 4.92088 13.0631 8.65097 8.81551 numMergedOcc 0
25 mol 234 unq 0 iso 0 dist 8.10427 5.44278 8.24186 10.3795 11.7705 8.34494 numMergedOcc 0
26 mol 234 unq 1 iso 0 dist 8.10427 5.44278 8.24186 7.17032 5.63086 6.56247 numMergedOcc 0
27 mol 234 unq 2 iso 0 dist 8.10427 5.44278 8.24186 12.069 5.6819 9.36357 numMergedOcc 0
28 mol 234 unq 3 iso 0 dist 8.10427 9.25445 7.5366 7.17032 5.63086 9.45496 numMergedOcc 0
29 mol 234 unq 4 iso 0 dist 8.10427 9.25445 7.5366 12.069 5.6819 6.7625 numMergedOcc 0
30 mol 234 unq 5 iso 0 dist 9.8716 12.2372 9.007 16.592 8.16888 8.41436 numMergedOcc 0
31 mol 234 unq 6 iso 0 dist 9.8716 12.2372 9.007 12.9314 5.3211 8.92474 numMergedOcc 0
32 mol 238 unq 0 iso 0 dist 8.24118 5.88384 7.32982 10.7019 12.3808 5.72887 numMergedOcc 0
33 mol 238 unq 1 iso 0 dist 9.08573 5.37535 5.64181 10.0709 10.216 6.22714 numMergedOcc 0
34 mol 238 unq 2 iso 0 dist 9.08573 5.37535 5.64181 12.1555 7.83352 7.31233 numMergedOcc 0
35 mol 252 unq 0 iso 0 dist 7.82138 7.66494 6.11473 15.0897 9.32326 8.1148 numMergedOcc 0
36 mol 252 unq 1 iso 0 dist 7.82138 7.66494 6.11473 12.1825 5.72783 8.1715 numMergedOcc 0
37 mol 252 unq 2 iso 0 dist 9.27529 7.66494 6.53679 15.0897 11.056 8.1148 numMergedOcc 0
38 mol 252 unq 3 iso 0 dist 9.27529 7.66494 6.53679 12.1825 5.23748 8.1715 numMergedOcc 0
39 mol 252 unq 4 iso 0 dist 9.27529 12.8993 7.50201 15.0897 11.056 8.33025 numMergedOcc 0
40 mol 252 unq 5 iso 0 dist 9.27529 12.8993 7.50201 12.1825 5.23748 9.2288 numMergedOcc 0
41 mol 252 unq 6 iso 0 dist 9.27529 12.8993 7.50201 13.8233 7.63376 7.19638 numMergedOcc 0
42 mol 258 unq 0 iso 0 dist 8.82933 6.62225 6.70815 12.7176 7.42673 6.60405 numMergedOcc 0
43 mol 258 unq 1 iso 0 dist 8.82933 12.4255 7.99477 12.7176 7.42673 6.42289 numMergedOcc 0
