0 mol 2 unq 0 iso 0 dist 6.47123 8.5893 8.798 4.00237 8.3726 5.74846 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 6.47123 8.29974 11.3341 4.00237 8.3726 4.93584 numMergedOcc 0
2 mol 5 unq 0 iso 0 dist 9.05414 7.6976 6.33046 14.2463 9.95226 15.6952 numMergedOcc 0
3 mol 33 unq 0 iso 0 dist 6.42569 6.59406 5.03353 11.3102 5.98867 10.4685 numMergedOcc 0
4 mol 81 unq 0 iso 0 dist 9.80754 8.18695 3.69064 5.82911 8.57764 5.2168 numMergedOcc 0
5 mol 88 unq 0 iso 0 dist 8.87089 6.64933 9.58585 4.56066 5.60174 9.06249 numMergedOcc 0
6 mol 88 unq 1 iso 0 dist 8.87089 8.67727 13.2289 4.56066 5.60174 12.1455 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 9.29249 9.98606 6.82303 6.21004 9.62106 13.5401 numMergedOcc 0
8 mol 157 unq 0 iso 0 dist 8.78412 6.09357 8.78326 6.11737 9.46735 5.32542 numMergedOcc 0
9 mol 158 unq 0 iso 0 dist 8.80952 9.18848 4.1393 3.72916 7.76952 9.67263 numMergedOcc 0
10 mol 158 unq 1 iso 0 dist 8.80952 9.18848 4.1393 17.8569 9.98554 11.0116 numMergedOcc 0
11 mol 169 unq 0 iso 0 dist 6.09291 7.43598 12.5502 4.24401 6.27378 11.1294 numMergedOcc 0
12 mol 185 unq 0 iso 0 dist 8.85182 6.83972 3.9773 5.80135 9.44685 8.22259 numMergedOcc 0
13 mol 185 unq 1 iso 0 dist 8.85182 6.70069 9.60778 5.80135 9.44685 12.1344 numMergedOcc 0
14 mol 230 unq 0 iso 0 dist 5.19913 8.74988 6.72933 6.2863 9.62914 8.89873 numMergedOcc 0
15 mol 230 unq 1 iso 0 dist 5.19913 8.74988 6.72933 12.1033 9.73038 12.2965 numMergedOcc 0
16 mol 232 unq 0 iso 0 dist 9.84479 6.15462 10.2701 6.5573 9.36462 11.026 numMergedOcc 0
17 mol 232 unq 1 iso 0 dist 9.82645 6.15462 12.4228 5.28999 5.86945 10.2748 numMergedOcc 0
18 mol 265 unq 0 iso 0 dist 9.94957 6.21022 6.85532 14.366 6.04835 12.6498 numMergedOcc 0
19 mol 265 unq 1 iso 0 dist 8.01664 8.06252 6.85532 11.7178 6.04835 12.6498 numMergedOcc 0
20 mol 274 unq 0 iso 0 dist 7.8547 9.35835 3.98475 11.1514 8.82003 11.8234 numMergedOcc 0
