0 mol 0 unq 0 iso 0 dist 6.99594 7.65884 6.3267 7.31837 6.0597 8.34244 11.2184 4.22598 8.66548 8.73015 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 9.19658 8.05284 8.11206 12.9828 4.73598 8.71752 11.0223 10.1896 6.78936 10.8132 numMergedOcc 0
2 mol 27 unq 1 iso 0 dist 9.19658 8.05284 8.11206 7.42669 7.47886 7.60283 11.0223 10.1896 6.78936 13.4461 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 7.88576 10.2167 7.48825 11.784 7.14527 4.62858 13.2665 5.57199 8.74576 6.30042 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 7.50886 10.9258 8.39249 12.4185 6.76585 5.79343 10.8728 4.81369 5.51885 4.08391 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 5.58063 10.3316 6.40036 10.2513 5.67953 7.70313 8.42219 5.65471 8.0168 10.3264 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 8.9344 6.2062 5.99299 11.4454 5.59913 6.51868 11.9149 5.74928 9.10003 10.0161 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 8.9344 6.2062 5.99299 7.31633 6.27692 7.34698 11.9149 5.74928 9.10003 11.7838 numMergedOcc 0
8 mol 204 unq 0 iso 0 dist 9.86352 8.39208 5.89018 15.0712 7.34293 7.10526 12.2771 9.11693 5.3819 6.65648 numMergedOcc 0
9 mol 204 unq 1 iso 0 dist 9.42374 5.43506 5.89018 14.3041 8.92711 9.55606 10.8198 4.08137 8.66162 9.96173 numMergedOcc 0
10 mol 243 unq 0 iso 0 dist 8.53888 10.4928 9.1101 8.55613 4.78857 7.12785 16.957 10.106 9.33476 10.1372 numMergedOcc 0
11 mol 243 unq 1 iso 0 dist 9.46855 13.8577 9.1101 12.3886 4.78857 7.12785 18.1286 10.106 9.33476 10.1372 numMergedOcc 0
12 mol 270 unq 0 iso 0 dist 8.76013 6.41275 8.39167 8.55914 5.91256 7.89388 12.1258 9.04454 9.85255 4.11153 numMergedOcc 0
13 mol 274 unq 0 iso 0 dist 8.62431 5.95459 8.49866 6.83113 11.0599 9.20749 4.97796 5.70568 6.66172 5.39432 numMergedOcc 0
