0 mol 11 unq 0 iso 0 dist 9.13662 9.65468 14.2005 4.92562 9.81247 14.5792 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.13662 9.14139 8.68636 4.92562 9.81247 12.3723 numMergedOcc 0
2 mol 11 unq 2 iso 0 dist 6.77845 6.91808 8.68636 6.02745 9.81247 12.3723 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 8.07937 5.29367 4.02057 17.0437 9.97117 13.929 numMergedOcc 0
4 mol 55 unq 0 iso 0 dist 5.7638 8.55679 5.41839 5.14336 9.12204 9.64783 numMergedOcc 0
5 mol 55 unq 1 iso 0 dist 8.55679 5.7638 5.41839 5.14336 9.64783 9.12204 numMergedOcc 0
6 mol 67 unq 0 iso 0 dist 5.16558 9.62459 5.32316 4.39526 5.70192 7.65646 numMergedOcc 0
7 mol 67 unq 1 iso 0 dist 9.62459 5.16558 5.32316 4.39526 7.65646 5.70192 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 6.12404 7.99121 10.7282 5.26498 5.58063 12.7883 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 6.12404 6.30982 6.56935 5.26498 5.58063 10.1292 numMergedOcc 0
10 mol 151 unq 0 iso 0 dist 8.25396 8.29454 6.82905 8.92422 8.00027 12.622 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 8.63713 8.94464 11.4167 9.09192 9.20477 12.4394 numMergedOcc 0
12 mol 181 unq 1 iso 0 dist 8.63713 8.94464 11.4167 12.1848 7.90237 15.301 numMergedOcc 0
13 mol 181 unq 2 iso 0 dist 5.08796 5.93515 6.7732 4.56814 6.17129 5.83596 numMergedOcc 0
14 mol 181 unq 3 iso 0 dist 5.93515 5.08796 6.7732 4.56814 5.83596 6.17129 numMergedOcc 0
15 mol 183 unq 0 iso 0 dist 8.58404 8.1126 3.75614 12.0539 7.42108 11.0372 numMergedOcc 0
16 mol 185 unq 0 iso 0 dist 6.06763 7.5578 5.81461 6.57842 8.60027 12.6642 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 8.6011 9.44772 8.22777 13.185 8.72538 16.8368 numMergedOcc 0
18 mol 197 unq 0 iso 0 dist 8.61953 7.91999 5.3979 7.69844 8.32685 6.74777 numMergedOcc 0
19 mol 197 unq 1 iso 0 dist 7.91999 8.61953 5.3979 7.69844 6.74777 8.32685 numMergedOcc 0
20 mol 236 unq 0 iso 0 dist 4.43243 5.92025 5.26871 4.47231 6.98151 9.91572 numMergedOcc 0
21 mol 236 unq 1 iso 0 dist 4.43243 9.04819 11.4554 4.47231 6.98151 12.8714 numMergedOcc 0
22 mol 294 unq 0 iso 0 dist 8.74181 8.96987 6.19256 4.83248 7.12793 6.21208 numMergedOcc 0
23 mol 294 unq 1 iso 0 dist 8.96987 8.74181 6.19256 4.83248 6.21208 7.12793 numMergedOcc 0
