0 mol 34 unq 0 iso 0 dist 6.44363 5.89139 8.18971 6.99091 9.67624 4.76075 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 7.70787 5.89334 9.8821 10.0714 8.31317 14.9703 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 7.70787 6.63464 8.80003 10.0714 8.31317 13.5021 numMergedOcc 0
3 mol 81 unq 0 iso 0 dist 6.22059 4.57548 9.13248 3.71228 7.1229 3.82386 numMergedOcc 0
4 mol 81 unq 1 iso 0 dist 6.22059 4.57548 9.13248 7.58448 9.36388 11.9686 numMergedOcc 0
5 mol 81 unq 2 iso 0 dist 6.22059 8.00722 9.03754 3.71228 7.1229 11.4429 numMergedOcc 0
6 mol 81 unq 3 iso 0 dist 6.22059 8.00722 9.03754 7.58448 9.36388 4.54161 numMergedOcc 0
7 mol 154 unq 0 iso 0 dist 9.19804 15.6506 9.2828 5.58226 9.11555 11.8737 numMergedOcc 0
8 mol 154 unq 1 iso 0 dist 9.19804 15.6506 9.2828 3.781 8.88053 14.4264 numMergedOcc 0
9 mol 176 unq 0 iso 0 dist 8.00931 4.84752 5.61752 7.24458 8.77098 5.42667 numMergedOcc 0
10 mol 176 unq 1 iso 0 dist 9.65262 8.80777 5.61752 6.12334 8.77098 5.42667 numMergedOcc 0
11 mol 187 unq 0 iso 0 dist 5.14547 4.75665 8.38922 5.93957 8.25559 3.94358 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 6.94771 4.74145 7.01486 5.06821 9.24563 4.4227 numMergedOcc 0
13 mol 220 unq 1 iso 0 dist 6.94771 3.57693 8.86569 5.06821 9.24563 5.06972 numMergedOcc 0
14 mol 220 unq 2 iso 0 dist 6.94771 9.46392 9.06824 5.06821 9.24563 10.5297 numMergedOcc 0
15 mol 266 unq 0 iso 0 dist 7.01175 4.39397 9.96942 4.06041 9.0654 6.74629 numMergedOcc 0
16 mol 266 unq 1 iso 0 dist 7.50074 9.47559 9.96942 9.59994 9.0654 6.74629 numMergedOcc 0
17 mol 283 unq 0 iso 0 dist 7.81415 4.01355 4.1631 3.77125 8.47034 5.55396 numMergedOcc 0
18 mol 283 unq 1 iso 0 dist 7.81415 4.01355 4.1631 8.36144 8.57491 6.36535 numMergedOcc 0
19 mol 286 unq 0 iso 0 dist 9.96295 11.4826 9.91859 13.3451 9.2551 3.67621 numMergedOcc 0
20 mol 286 unq 1 iso 0 dist 8.95266 14.9051 9.91859 13.6536 9.2551 3.67621 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 6.08044 8.76196 9.82863 10.8556 9.62446 18.5646 numMergedOcc 0
22 mol 287 unq 1 iso 0 dist 6.08044 8.76196 9.82863 10.4719 9.99681 12.664 numMergedOcc 0
23 mol 287 unq 2 iso 0 dist 8.8956 10.0477 9.82863 12.7029 9.62446 18.5646 numMergedOcc 0
24 mol 287 unq 3 iso 0 dist 8.8956 10.0477 9.82863 5.57075 9.99681 12.664 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 6.08044 8.76196 9.82863 10.8556 9.62446 18.5646 numMergedOcc 0
26 mol 288 unq 1 iso 0 dist 6.08044 8.76196 9.82863 10.4719 9.99681 12.664 numMergedOcc 0
27 mol 288 unq 2 iso 0 dist 8.8956 10.0477 9.82863 12.7029 9.62446 18.5646 numMergedOcc 0
28 mol 288 unq 3 iso 0 dist 8.8956 10.0477 9.82863 5.57075 9.99681 12.664 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 6.08044 8.76196 9.82863 10.8556 9.62446 18.5646 numMergedOcc 0
30 mol 289 unq 1 iso 0 dist 6.08044 8.76196 9.82863 10.4719 9.99681 12.664 numMergedOcc 0
31 mol 289 unq 2 iso 0 dist 8.8956 10.0477 9.82863 12.7029 9.62446 18.5646 numMergedOcc 0
32 mol 289 unq 3 iso 0 dist 8.8956 10.0477 9.82863 5.57075 9.99681 12.664 numMergedOcc 0
