0 mol 54 unq 0 iso 0 dist 5.38191 14.0601 9.20429 5.60003 7.16132 12.9186 numMergedOcc 0
1 mol 60 unq 0 iso 0 dist 5.83937 7.3676 7.15352 12.0661 7.57295 10.7546 numMergedOcc 0
2 mol 60 unq 1 iso 0 dist 8.82095 13.8836 7.15352 7.32774 7.57295 10.7546 numMergedOcc 0
3 mol 60 unq 2 iso 0 dist 6.27749 6.02523 7.7654 4.44758 9.95132 5.40533 numMergedOcc 0
4 mol 60 unq 3 iso 0 dist 6.27749 6.02523 7.7654 7.32774 7.48086 4.70443 numMergedOcc 0
5 mol 122 unq 0 iso 0 dist 8.33083 13.1171 8.75778 12.2162 6.00603 4.06619 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 6.29026 5.06265 8.00624 4.79473 5.51197 6.31483 numMergedOcc 0
7 mol 129 unq 1 iso 0 dist 6.29026 5.06265 8.00624 5.04019 6.69691 9.82512 numMergedOcc 0
8 mol 129 unq 2 iso 0 dist 6.29026 5.06265 8.00624 10.1802 8.86944 14.6258 numMergedOcc 0
9 mol 178 unq 0 iso 0 dist 8.0974 11.7183 9.63185 9.80877 9.11204 11.4463 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 6.43406 10.3906 9.4775 5.71744 5.05973 6.27015 numMergedOcc 0
11 mol 181 unq 1 iso 0 dist 6.43406 7.11585 4.71906 5.71744 5.05973 3.97523 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 8.43584 13.7406 6.94789 14.6356 6.49765 6.16492 numMergedOcc 0
13 mol 205 unq 1 iso 0 dist 8.43584 8.05429 6.23932 14.6356 6.49765 9.99561 numMergedOcc 0
14 mol 214 unq 0 iso 0 dist 8.49704 17.1631 9.92165 4.112 7.46481 14.5969 numMergedOcc 0
15 mol 222 unq 0 iso 0 dist 8.7347 13.6797 6.77368 15.1289 6.74196 4.54951 numMergedOcc 0
16 mol 222 unq 1 iso 0 dist 8.7347 13.6797 6.77368 13.6078 8.36842 10.5815 numMergedOcc 0
17 mol 222 unq 2 iso 0 dist 8.7347 13.6797 6.77368 13.6261 9.75472 10.7456 numMergedOcc 0
18 mol 222 unq 3 iso 0 dist 8.7347 9.50337 7.73634 15.1289 6.74196 11.1253 numMergedOcc 0
19 mol 222 unq 4 iso 0 dist 8.7347 9.50337 7.73634 13.6078 8.36842 5.10026 numMergedOcc 0
20 mol 222 unq 5 iso 0 dist 8.7347 9.50337 7.73634 13.6261 9.75472 5.90399 numMergedOcc 0
21 mol 236 unq 0 iso 0 dist 9.10613 8.3795 9.44496 4.8226 8.23087 10.7395 numMergedOcc 0
22 mol 264 unq 0 iso 0 dist 7.22789 11.1442 8.91251 8.41904 5.90058 4.77242 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 6.90434 5.95045 4.81916 8.51268 9.35539 9.31926 numMergedOcc 0
24 mol 277 unq 1 iso 0 dist 6.90434 5.95045 4.81916 13.3706 8.9682 13.1828 numMergedOcc 0
25 mol 277 unq 2 iso 0 dist 6.90434 5.95045 4.81916 12.1739 6.92711 10.6994 numMergedOcc 0
26 mol 280 unq 0 iso 0 dist 8.85762 11.4101 7.96485 7.42656 6.86234 4.06908 numMergedOcc 0
