0 mol 26 unq 0 iso 0 dist 8.11402 12.8104 9.25649 9.6214 7.84204 5.47056 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.11402 10.8584 9.36104 9.6214 7.84204 4.63716 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 7.60482 5.92019 5.86571 5.84579 5.42296 3.91174 numMergedOcc 0
3 mol 90 unq 0 iso 0 dist 5.42653 10.7366 7.54496 8.91067 6.18681 4.67883 numMergedOcc 0
4 mol 90 unq 1 iso 0 dist 5.42653 10.7366 7.54496 9.02213 9.33288 8.27728 numMergedOcc 0
5 mol 90 unq 2 iso 0 dist 8.71991 7.4595 7.54496 9.22808 6.18681 4.67883 numMergedOcc 0
6 mol 90 unq 3 iso 0 dist 8.71991 7.4595 7.54496 9.61403 9.33288 8.27728 numMergedOcc 0
7 mol 143 unq 0 iso 0 dist 4.86894 4.88215 6.40901 10.7652 8.08798 7.87644 numMergedOcc 0
8 mol 143 unq 1 iso 0 dist 4.86894 8.25783 9.40626 10.7652 8.08798 13.5899 numMergedOcc 0
9 mol 197 unq 0 iso 0 dist 9.69154 7.56779 9.71865 10.5705 9.6071 7.28852 numMergedOcc 0
10 mol 197 unq 1 iso 0 dist 9.69154 7.56779 9.71865 16.6946 9.77656 11.9275 numMergedOcc 0
11 mol 197 unq 2 iso 0 dist 9.49122 12.7747 9.71865 7.21941 9.77656 11.9275 numMergedOcc 0
12 mol 197 unq 3 iso 0 dist 9.49122 12.7747 9.71865 6.62989 9.6071 7.28852 numMergedOcc 0
13 mol 214 unq 0 iso 0 dist 6.74861 8.62938 5.10114 5.96128 9.86587 12.1581 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 9.03093 9.08442 8.8827 14.2967 8.08777 8.55392 numMergedOcc 0
15 mol 272 unq 0 iso 0 dist 6.1535 9.81565 7.35433 5.88095 9.48951 8.11129 numMergedOcc 0
16 mol 278 unq 0 iso 0 dist 7.05438 5.37654 9.80746 5.85558 9.94661 8.48896 numMergedOcc 0
17 mol 278 unq 1 iso 0 dist 7.08899 14.615 9.80746 15.8538 9.94661 8.48896 numMergedOcc 0
18 mol 282 unq 0 iso 0 dist 8.47112 6.6021 6.353 9.75881 8.6262 7.6689 numMergedOcc 0
19 mol 285 unq 0 iso 0 dist 5.32578 9.11674 5.80415 8.56197 6.01404 8.03918 numMergedOcc 0
