0 mol 30 unq 0 iso 0 dist 6.24584 10.8824 7.27268 13.0987 6.94189 7.47342 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 5.4118 7.19972 7.27268 11.2231 6.94189 7.47342 numMergedOcc 0
2 mol 30 unq 2 iso 0 dist 8.27354 10.0473 7.27268 13.6446 6.94189 7.47342 numMergedOcc 0
3 mol 30 unq 3 iso 0 dist 6.71385 9.08135 5.61656 15.1691 8.50298 9.28932 numMergedOcc 0
4 mol 30 unq 4 iso 0 dist 6.71385 9.08135 5.61656 10.3185 7.22668 7.53042 numMergedOcc 0
5 mol 30 unq 5 iso 0 dist 6.71385 11.8112 6.95343 15.1691 8.50298 6.83481 numMergedOcc 0
6 mol 30 unq 6 iso 0 dist 5.29445 9.08135 7.22242 15.1691 12.5461 9.28932 numMergedOcc 0
7 mol 30 unq 7 iso 0 dist 5.29445 9.08135 7.22242 10.3185 5.11873 7.53042 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 6.31828 4.53858 5.62635 4.69247 6.48722 6.56728 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 7.00884 4.53858 7.07868 4.69247 5.31948 6.56728 numMergedOcc 0
10 mol 91 unq 0 iso 0 dist 7.93228 5.27581 7.19533 12.0375 5.93342 9.00902 numMergedOcc 0
11 mol 110 unq 0 iso 0 dist 5.70193 4.37283 8.76445 10.8034 14.0959 9.89881 numMergedOcc 0
12 mol 110 unq 1 iso 0 dist 9.76432 5.21847 6.78225 13.2735 5.64111 9.71948 numMergedOcc 0
13 mol 117 unq 0 iso 0 dist 7.38304 5.17524 8.2236 10.7189 9.50632 7.0318 numMergedOcc 0
14 mol 213 unq 0 iso 0 dist 8.64766 11.9309 8.96646 19.9723 13.512 9.75141 numMergedOcc 0
15 mol 229 unq 0 iso 0 dist 9.54743 10.568 7.38552 10.57 7.23814 5.00457 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 8.07855 6.55542 5.45139 12.1384 5.86234 6.83046 numMergedOcc 0
17 mol 256 unq 0 iso 0 dist 8.59294 17.3726 9.72168 16.6739 8.0817 5.98967 numMergedOcc 0
18 mol 264 unq 0 iso 0 dist 7.55879 4.53426 8.47755 9.03169 5.65753 6.85672 numMergedOcc 0
