0 mol 15 unq 0 iso 0 dist 8.0637 4.89563 5.69927 4.98085 5.19544 5.89412 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.83402 8.46842 5.59268 12.1605 7.05148 7.92503 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 5.8409 8.40871 7.17843 9.08675 9.4486 11.4999 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 5.84583 9.58693 12.9994 7.65932 5.94696 15.1067 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 5.84583 9.48388 4.96747 7.65932 5.94696 5.65185 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 6.34149 9.45717 14.5572 5.30646 5.56565 13.2515 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 6.34149 9.45717 14.5572 5.87062 6.16862 10.9779 numMergedOcc 0
7 mol 133 unq 2 iso 0 dist 8.63279 9.45717 16.553 5.87062 9.70325 10.9779 numMergedOcc 0
8 mol 135 unq 0 iso 0 dist 6.1777 8.24228 5.49259 4.75453 5.43728 9.95266 numMergedOcc 0
9 mol 135 unq 1 iso 0 dist 6.29701 9.13451 8.13139 4.14325 5.43728 5.62052 numMergedOcc 0
10 mol 135 unq 2 iso 0 dist 6.29701 9.171 5.88534 4.14325 5.43728 7.85645 numMergedOcc 0
11 mol 146 unq 0 iso 0 dist 9.5348 8.74283 8.76758 4.50898 7.13378 8.84535 numMergedOcc 0
12 mol 147 unq 0 iso 0 dist 8.94007 9.11046 6.91778 14.4222 9.41073 10.3047 numMergedOcc 0
13 mol 170 unq 0 iso 0 dist 9.2621 7.47249 7.71028 5.34021 9.53158 6.35982 numMergedOcc 0
14 mol 171 unq 0 iso 0 dist 8.30819 8.68992 10.5731 9.77016 6.80086 15.1825 numMergedOcc 0
15 mol 222 unq 0 iso 0 dist 6.17749 8.81925 4.82768 6.11074 5.89818 7.67576 numMergedOcc 0
16 mol 222 unq 1 iso 0 dist 6.17749 8.81925 4.82768 6.22277 9.32543 9.82371 numMergedOcc 0
17 mol 232 unq 0 iso 0 dist 8.15743 6.94983 9.60401 14.8728 9.41148 13.7227 numMergedOcc 0
18 mol 232 unq 1 iso 0 dist 8.15743 6.94983 9.60401 4.03628 7.83422 9.05071 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 6.84909 6.02089 9.83514 10.6051 6.68863 14.7759 numMergedOcc 0
20 mol 292 unq 1 iso 0 dist 6.84909 6.87804 8.04474 10.6051 6.68863 11.4575 numMergedOcc 0
