0 mol 21 unq 0 iso 0 dist 7.88429 6.77108 6.71887 8.07673 5.90858 5.14485 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.13365 8.12171 6.66749 7.63824 9.76111 4.11146 numMergedOcc 0
2 mol 91 unq 0 iso 0 dist 8.00525 4.86532 4.57085 7.09177 4.73184 5.21888 numMergedOcc 0
3 mol 93 unq 0 iso 0 dist 9.10877 6.70158 11.1029 8.61597 13.6379 14.19 numMergedOcc 0
4 mol 93 unq 1 iso 0 dist 9.10877 7.29701 10.3849 8.61597 13.6379 6.4154 numMergedOcc 0
5 mol 123 unq 0 iso 0 dist 9.99727 7.36361 14.0935 8.09682 12.2105 7.88813 numMergedOcc 0
6 mol 123 unq 1 iso 0 dist 9.99727 7.36361 14.0935 8.35926 12.5368 4.10526 numMergedOcc 0
7 mol 123 unq 2 iso 0 dist 9.99727 7.36361 14.0935 7.41568 6.21159 12.6384 numMergedOcc 0
8 mol 147 unq 0 iso 0 dist 9.23551 6.6094 5.50251 8.94352 12.7148 10.1443 numMergedOcc 0
9 mol 173 unq 0 iso 0 dist 9.09857 6.07708 5.70743 9.31914 7.53527 8.66075 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 6.43406 9.0234 7.77758 7.24832 6.13927 3.63671 numMergedOcc 0
11 mol 238 unq 0 iso 0 dist 6.51823 6.62283 10.4017 9.31268 5.7648 13.8952 numMergedOcc 0
12 mol 238 unq 1 iso 0 dist 6.51823 8.60978 7.95232 9.31268 5.7648 12.856 numMergedOcc 0
13 mol 278 unq 0 iso 0 dist 9.30751 7.29686 6.76904 7.73107 7.3987 4.02342 numMergedOcc 0
14 mol 278 unq 1 iso 0 dist 9.30751 9.62872 7.89642 7.73107 7.3987 8.79088 numMergedOcc 0
15 mol 281 unq 0 iso 0 dist 7.04661 6.67593 11.6729 7.43535 12.8596 3.78169 numMergedOcc 0
