0 mol 76 unq 0 iso 0 dist 9.0101 9.39338 17.46 6.27527 6.46582 13.3407 numMergedOcc 0
1 mol 76 unq 1 iso 0 dist 9.0101 8.9053 15.9053 6.27527 6.46582 10.1989 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 7.18358 7.83159 9.0655 8.10649 9.853 13.1658 numMergedOcc 0
3 mol 103 unq 0 iso 0 dist 8.8763 8.2592 8.3456 7.6171 5.53454 11.8039 numMergedOcc 0
4 mol 168 unq 0 iso 0 dist 8.80094 6.8754 11.6784 3.6038 8.47543 10.4028 numMergedOcc 0
5 mol 168 unq 1 iso 0 dist 8.07126 9.08545 11.6784 4.88037 8.47543 10.4028 numMergedOcc 0
6 mol 180 unq 0 iso 0 dist 8.65601 9.99021 7.69346 12.6752 6.91244 12.9083 numMergedOcc 0
7 mol 180 unq 1 iso 0 dist 6.33325 8.26428 7.69346 5.92014 6.91244 12.9083 numMergedOcc 0
8 mol 185 unq 0 iso 0 dist 9.27825 7.7352 10.576 10.2953 9.1549 15.2918 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 5.39622 9.43816 9.45075 6.14958 6.99587 10.5212 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 5.39622 9.43816 9.45075 5.87342 4.37577 10.3861 numMergedOcc 0
11 mol 186 unq 2 iso 0 dist 9.75853 5.17005 4.96523 4.32488 7.69952 5.06194 numMergedOcc 0
12 mol 232 unq 0 iso 0 dist 8.15743 7.38809 8.47021 9.67326 9.67243 10.2171 numMergedOcc 0
13 mol 258 unq 0 iso 0 dist 9.44043 9.41308 5.62491 6.55101 6.61322 8.64933 numMergedOcc 0
14 mol 258 unq 1 iso 0 dist 5.3435 6.6688 5.62491 11.4781 6.61322 8.64933 numMergedOcc 0
15 mol 260 unq 0 iso 0 dist 4.76689 7.246 8.55761 5.30931 7.88108 11.7903 numMergedOcc 0
16 mol 260 unq 1 iso 0 dist 4.76689 7.246 8.55761 7.91474 9.46576 13.3487 numMergedOcc 0
