0 mol 27 unq 0 iso 0 dist 9.53382 10.1674 6.78936 17.981 9.11842 9.77484 14.767 10.1896 8.11206 10.1814 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 9.26417 13.1473 6.53824 10.1695 6.19288 8.624 14.0266 10.7904 9.19459 6.00418 numMergedOcc 0
2 mol 72 unq 1 iso 0 dist 9.26417 13.1473 6.53824 6.68311 4.03844 6.77912 14.0266 10.7904 9.19459 9.0131 numMergedOcc 0
3 mol 72 unq 2 iso 0 dist 8.16985 5.00053 9.14817 6.7212 7.47371 7.321 11.9031 9.88768 9.19459 7.11552 numMergedOcc 0
4 mol 72 unq 3 iso 0 dist 8.16985 5.00053 9.14817 6.7212 7.47371 7.321 11.486 12.6041 8.59747 7.17489 numMergedOcc 0
5 mol 72 unq 4 iso 0 dist 7.81344 5.00053 9.76686 6.7212 9.67587 7.321 11.9031 12.9007 9.19459 7.11552 numMergedOcc 0
6 mol 72 unq 5 iso 0 dist 7.81344 5.00053 9.76686 6.7212 9.67587 7.321 11.486 15.1279 8.59747 7.17489 numMergedOcc 0
7 mol 72 unq 6 iso 0 dist 7.49245 9.57455 9.76686 13.3713 9.67587 7.321 17.0588 12.9007 9.19459 7.11552 numMergedOcc 0
8 mol 72 unq 7 iso 0 dist 7.49245 9.57455 9.76686 13.3713 9.67587 7.321 17.753 15.1279 8.59747 7.17489 numMergedOcc 0
9 mol 72 unq 8 iso 0 dist 5.49421 5.00053 9.437 6.7212 7.07356 7.321 11.9031 12.9235 9.19459 7.11552 numMergedOcc 0
10 mol 72 unq 9 iso 0 dist 5.49421 5.00053 9.437 6.7212 7.07356 7.321 11.486 13.879 8.59747 7.17489 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 6.41759 6.63186 5.52149 10.9185 11.5407 8.94837 10.6753 11.3936 6.4218 5.9915 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 6.41759 6.63186 5.52149 6.54987 5.91192 7.77454 10.6753 11.3936 6.4218 10.7186 numMergedOcc 0
13 mol 155 unq 0 iso 0 dist 8.14405 6.79302 5.36254 13.3396 7.10286 7.39644 10.6429 4.48516 7.37901 5.40375 numMergedOcc 0
14 mol 155 unq 1 iso 0 dist 8.14405 6.79302 5.36254 5.68636 4.91785 7.36102 10.6429 4.48516 7.37901 6.34186 numMergedOcc 0
15 mol 173 unq 0 iso 0 dist 8.51691 9.61315 8.62366 16.9922 12.4131 7.93331 13.9484 12.9142 9.79554 13.3053 numMergedOcc 0
16 mol 173 unq 1 iso 0 dist 8.51691 9.61315 8.62366 16.0485 12.5815 6.98095 13.9484 12.9142 9.79554 8.94065 numMergedOcc 0
17 mol 173 unq 2 iso 0 dist 8.51691 9.61315 8.62366 15.0603 8.63452 8.31897 13.9484 12.9142 9.79554 14.2537 numMergedOcc 0
18 mol 218 unq 0 iso 0 dist 8.57638 11.2606 8.61306 17.4727 15.6802 7.17547 19.5793 16.2592 8.57853 4.54272 numMergedOcc 0
19 mol 218 unq 1 iso 0 dist 8.57638 11.2606 8.61306 17.4727 15.6802 7.17547 15.4718 10.1772 6.75035 10.2673 numMergedOcc 0
20 mol 218 unq 2 iso 0 dist 8.57638 11.2606 8.61306 15.3896 13.7327 7.13323 19.5793 16.2592 8.57853 6.8949 numMergedOcc 0
21 mol 218 unq 3 iso 0 dist 8.57638 11.2606 8.61306 15.3896 13.7327 7.13323 15.4718 10.1772 6.75035 6.60235 numMergedOcc 0
22 mol 224 unq 0 iso 0 dist 5.88041 5.56344 5.73591 10.6043 5.13732 8.19953 6.04427 5.93269 4.55996 7.67202 numMergedOcc 0
23 mol 228 unq 0 iso 0 dist 9.96994 11.9786 7.86746 17.5305 9.39743 7.77367 14.3964 6.64821 8.07174 4.75417 numMergedOcc 0
24 mol 228 unq 1 iso 0 dist 9.96994 11.9786 7.86746 16.089 6.65033 8.20909 14.3964 6.64821 8.07174 6.53802 numMergedOcc 0
25 mol 228 unq 2 iso 0 dist 9.96994 11.9786 7.86746 12.0258 6.19376 7.94506 14.3964 6.64821 8.07174 11.0908 numMergedOcc 0
26 mol 228 unq 3 iso 0 dist 9.96994 11.9786 7.86746 19.4086 11.8243 8.15494 14.3964 6.64821 8.07174 10.0837 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 9.40158 5.92575 6.85253 7.61478 5.79187 8.96531 6.89542 6.29757 6.65088 4.65297 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 9.40158 5.92575 6.85253 11.6421 10.4966 7.02475 6.89542 6.29757 6.65088 8.82861 numMergedOcc 0
29 mol 238 unq 2 iso 0 dist 5.41453 11.6924 7.39547 7.64276 5.71717 7.67322 11.1167 9.79637 6.5772 8.82861 numMergedOcc 0
30 mol 238 unq 3 iso 0 dist 5.41453 5.61491 7.24334 4.87108 6.82305 7.49471 11.1167 9.79637 6.17025 12.1252 numMergedOcc 0
31 mol 238 unq 4 iso 0 dist 5.41453 5.61491 7.24334 7.64276 5.71717 7.19008 11.1167 9.79637 6.17025 8.82861 numMergedOcc 0
32 mol 272 unq 0 iso 0 dist 9.21411 8.07198 6.95241 11.8058 5.41667 7.67853 11.9961 3.9539 6.75716 5.7074 numMergedOcc 0
