0 mol 9 unq 0 iso 0 dist 8.79695 9.39983 5.92069 16.7851 12.8654 8.01055 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.79695 11.0466 4.97354 16.7851 12.8654 8.61976 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 6.59406 5.5138 5.62685 12.024 6.22113 8.74487 numMergedOcc 0
3 mol 33 unq 1 iso 0 dist 6.59406 5.5138 5.62685 10.7134 7.81511 7.44828 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 6.44363 5.89139 8.18971 11.9885 9.12758 8.33947 numMergedOcc 0
5 mol 35 unq 0 iso 0 dist 5.55901 4.50401 5.70699 6.16132 6.17207 5.28675 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 9.52295 4.99287 7.32236 13.404 10.9311 8.84944 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 9.52295 4.99287 7.32236 10.0846 6.43999 7.21995 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 7.70787 5.89334 9.8821 9.65498 11.6826 7.58027 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 7.70787 6.63464 8.80003 9.65498 11.6826 4.34694 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 9.57191 10.1688 8.40154 12.1877 10.7364 7.46419 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 9.57191 10.1688 8.40154 13.9321 5.05394 8.68218 numMergedOcc 0
12 mol 105 unq 0 iso 0 dist 8.03876 8.61416 8.19346 11.6254 4.1272 8.51572 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 6.8458 6.76815 9.68809 11.8574 13.6126 6.54778 numMergedOcc 0
14 mol 114 unq 1 iso 0 dist 6.8458 6.76815 9.68809 10.3738 7.56584 8.57909 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 9.66979 4.62337 9.8017 12.3363 10.1192 9.84762 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 9.66979 4.62337 9.8017 8.41858 8.46844 5.2184 numMergedOcc 0
17 mol 132 unq 0 iso 0 dist 5.25894 4.21327 7.28945 7.16287 3.8377 6.94745 numMergedOcc 0
18 mol 152 unq 0 iso 0 dist 9.06801 4.81561 9.17101 13.241 10.9552 9.65031 numMergedOcc 0
19 mol 152 unq 1 iso 0 dist 9.06801 4.81561 9.17101 10.363 6.05258 8.51844 numMergedOcc 0
20 mol 174 unq 0 iso 0 dist 8.99695 8.91644 9.79225 16.7349 14.5347 8.16228 numMergedOcc 0
21 mol 176 unq 0 iso 0 dist 8.00931 4.84752 5.61752 6.9705 6.45902 7.98755 numMergedOcc 0
22 mol 176 unq 1 iso 0 dist 9.65262 8.80777 5.61752 11.8597 6.45902 7.98755 numMergedOcc 0
23 mol 187 unq 0 iso 0 dist 5.14547 4.75665 8.38922 5.82577 4.8196 8.0501 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 6.94771 4.74145 7.01486 8.55805 3.96711 6.39087 numMergedOcc 0
25 mol 220 unq 1 iso 0 dist 6.94771 4.74145 7.01486 10.9802 5.71318 9.86144 numMergedOcc 0
26 mol 266 unq 0 iso 0 dist 7.01175 4.39397 9.96942 10.3592 16.3701 6.57444 numMergedOcc 0
27 mol 266 unq 1 iso 0 dist 7.01175 4.39397 9.96942 9.36806 8.85331 9.39714 numMergedOcc 0
28 mol 266 unq 2 iso 0 dist 7.50074 9.47559 9.96942 14.0391 16.3701 6.57444 numMergedOcc 0
29 mol 266 unq 3 iso 0 dist 7.50074 9.47559 9.96942 7.51446 8.85331 9.39714 numMergedOcc 0
30 mol 268 unq 0 iso 0 dist 6.9226 6.35006 7.30388 8.43164 3.28649 5.94741 numMergedOcc 0
31 mol 286 unq 0 iso 0 dist 9.96295 11.4826 9.91859 12.5889 6.06584 6.83763 numMergedOcc 0
32 mol 286 unq 1 iso 0 dist 8.95266 14.9051 9.91859 14.2677 6.06584 6.83763 numMergedOcc 0
33 mol 287 unq 0 iso 0 dist 6.08044 8.76196 9.82863 13.1444 13.3487 5.15923 numMergedOcc 0
34 mol 287 unq 1 iso 0 dist 8.8956 10.0477 9.82863 15.1986 13.3487 5.15923 numMergedOcc 0
35 mol 288 unq 0 iso 0 dist 6.08044 8.76196 9.82863 13.1444 13.3487 5.15923 numMergedOcc 0
36 mol 288 unq 1 iso 0 dist 8.8956 10.0477 9.82863 15.1986 13.3487 5.15923 numMergedOcc 0
37 mol 289 unq 0 iso 0 dist 6.08044 8.76196 9.82863 13.1444 13.3487 5.15923 numMergedOcc 0
38 mol 289 unq 1 iso 0 dist 8.8956 10.0477 9.82863 15.1986 13.3487 5.15923 numMergedOcc 0
