0 mol 25 unq 0 iso 0 dist 9.26381 10.4307 5.97432 10.4654 6.17631 5.81959 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 9.26381 10.4307 5.97432 11.2792 5.59268 6.90155 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 7.98624 5.41578 7.03812 12.6756 11.0744 7.52117 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 7.64177 6.74975 7.34678 11.6456 4.16095 9.46994 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 7.92027 11.273 7.34678 11.3813 4.16095 9.46994 numMergedOcc 0
5 mol 62 unq 2 iso 0 dist 6.08756 5.2178 7.34678 9.52036 4.16095 9.46994 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 8.52947 11.8293 8.42713 20.5126 17.674 9.81831 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 8.52947 11.8293 8.42713 20.5787 15.232 9.12858 numMergedOcc 0
8 mol 93 unq 2 iso 0 dist 8.52947 11.8293 8.42713 17.4493 12.5871 9.4523 numMergedOcc 0
9 mol 93 unq 3 iso 0 dist 8.84466 3.74136 8.42713 10.4641 17.674 9.81831 numMergedOcc 0
10 mol 93 unq 4 iso 0 dist 8.84466 3.74136 8.42713 11.1217 15.232 9.12858 numMergedOcc 0
11 mol 93 unq 5 iso 0 dist 8.84466 3.74136 8.42713 9.10877 12.5871 9.4523 numMergedOcc 0
12 mol 93 unq 6 iso 0 dist 9.2948 3.74136 8.21032 10.4641 6.25741 9.81831 numMergedOcc 0
13 mol 93 unq 7 iso 0 dist 9.2948 3.74136 8.21032 11.1217 10.0172 9.12858 numMergedOcc 0
14 mol 93 unq 8 iso 0 dist 9.2948 3.74136 8.21032 9.10877 13.6269 9.4523 numMergedOcc 0
15 mol 130 unq 0 iso 0 dist 8.87505 14.0139 7.39532 12.4719 3.96103 8.33077 numMergedOcc 0
16 mol 130 unq 1 iso 0 dist 8.87505 4.91324 6.62468 13.0881 13.474 9.28592 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 7.03774 5.82527 5.33314 12.1672 11.1522 8.86329 numMergedOcc 0
18 mol 131 unq 1 iso 0 dist 7.03774 5.82527 5.33314 13.952 11.4573 8.71039 numMergedOcc 0
19 mol 147 unq 0 iso 0 dist 5.70772 5.78019 6.4752 10.823 8.95179 5.49226 numMergedOcc 0
20 mol 147 unq 1 iso 0 dist 5.70772 5.78019 6.4752 9.23551 10.5583 6.28351 numMergedOcc 0
21 mol 147 unq 2 iso 0 dist 5.03663 4.52246 6.4752 9.02521 8.95179 5.49226 numMergedOcc 0
22 mol 147 unq 3 iso 0 dist 5.03663 4.52246 6.4752 10.4004 10.5583 6.28351 numMergedOcc 0
23 mol 147 unq 4 iso 0 dist 8.93916 5.88056 6.4752 7.4653 8.95179 5.49226 numMergedOcc 0
24 mol 147 unq 5 iso 0 dist 8.93916 5.88056 6.4752 11.6819 10.5583 6.28351 numMergedOcc 0
25 mol 159 unq 0 iso 0 dist 9.04205 6.02267 9.90625 12.2095 10.6428 7.25742 numMergedOcc 0
26 mol 236 unq 0 iso 0 dist 4.43243 10.968 8.38439 5.99137 4.15973 8.50331 numMergedOcc 0
27 mol 258 unq 0 iso 0 dist 9.98868 8.76033 8.15795 12.7176 12.227 9.53063 numMergedOcc 0
28 mol 279 unq 0 iso 0 dist 5.49794 4.81143 5.63154 10.2545 5.15837 8.29305 numMergedOcc 0
29 mol 279 unq 1 iso 0 dist 5.49794 4.81143 5.63154 10.8638 8.33297 6.43341 numMergedOcc 0
