0 mol 7 unq 0 iso 0 dist 5.62316 5.1316 9.45309 9.17764 14.6308 6.14469 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 9.90738 9.75145 8.12184 14.4604 11.3074 7.5459 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 6.13335 10.2163 7.4036 12.3569 7.00079 5.76024 numMergedOcc 0
3 mol 12 unq 1 iso 0 dist 6.13335 10.2163 7.4036 10.5206 6.50215 7.92714 numMergedOcc 0
4 mol 12 unq 2 iso 0 dist 6.13335 10.2163 7.4036 17.5556 12.5814 8.47217 numMergedOcc 0
5 mol 17 unq 0 iso 0 dist 8.2298 9.71915 7.02884 17.507 12.9838 7.92012 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 7.98958 10.7527 9.53735 16.851 12.3478 7.35861 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 9.54996 11.0305 9.45931 13.9797 7.98447 6.75376 numMergedOcc 0
8 mol 141 unq 1 iso 0 dist 9.54996 4.96213 6.35397 13.9797 7.98447 9.10042 numMergedOcc 0
9 mol 141 unq 2 iso 0 dist 9.54996 4.96213 6.35397 13.8576 8.12085 9.75059 numMergedOcc 0
10 mol 141 unq 3 iso 0 dist 9.54996 4.96213 6.35397 6.10556 10.1812 6.83404 numMergedOcc 0
11 mol 196 unq 0 iso 0 dist 8.24466 9.71153 6.67699 16.6341 10.9094 7.21349 numMergedOcc 0
12 mol 226 unq 0 iso 0 dist 9.07455 5.424 9.20651 7.71605 5.87654 5.70795 numMergedOcc 0
13 mol 250 unq 0 iso 0 dist 8.06649 14.3949 9.5174 20.4631 12.9088 9.70149 numMergedOcc 0
14 mol 256 unq 0 iso 0 dist 6.43566 8.13481 5.17332 10.4202 5.05199 4.98734 numMergedOcc 0
15 mol 256 unq 1 iso 0 dist 6.43566 8.13481 5.17332 12.0847 5.9572 6.37963 numMergedOcc 0
16 mol 256 unq 2 iso 0 dist 6.43566 8.13481 5.17332 10.988 10.1811 8.16803 numMergedOcc 0
17 mol 256 unq 3 iso 0 dist 8.66626 6.016 5.17332 10.7347 5.05199 4.98734 numMergedOcc 0
18 mol 256 unq 4 iso 0 dist 8.66626 6.016 5.17332 11.7652 5.9572 6.37963 numMergedOcc 0
19 mol 256 unq 5 iso 0 dist 8.66626 6.016 5.17332 10.7721 10.1811 8.16803 numMergedOcc 0
20 mol 292 unq 0 iso 0 dist 6.88719 6.65048 5.67671 10.7724 5.30062 8.25485 numMergedOcc 0
