0 mol 16 unq 0 iso 0 dist 8.60935 6.04965 5.05215 5.8404 6.60918 4.86568 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.60935 6.32791 10.2338 5.28404 12.0274 4.7319 numMergedOcc 0
2 mol 51 unq 0 iso 0 dist 5.99174 5.67627 7.12257 11.4974 13.7901 9.0709 numMergedOcc 0
3 mol 52 unq 0 iso 0 dist 9.95252 9.6112 5.66313 9.99897 10.3921 7.34143 numMergedOcc 0
4 mol 52 unq 1 iso 0 dist 9.60663 6.08894 5.66313 6.01116 10.3921 7.34143 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 6.34231 8.46313 7.43426 9.46304 11.2566 6.72123 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 9.25793 8.14057 11.8136 7.39819 14.7969 5.83409 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 9.86611 8.06457 4.12027 4.165 11.0821 7.88289 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 9.86611 8.06457 4.12027 7.84998 9.88504 9.01083 numMergedOcc 0
9 mol 95 unq 2 iso 0 dist 8.98691 6.5136 9.7565 7.08612 8.27456 7.27724 numMergedOcc 0
10 mol 95 unq 3 iso 0 dist 8.98691 6.5136 9.7565 11.085 15.5421 8.03644 numMergedOcc 0
11 mol 102 unq 0 iso 0 dist 8.48829 5.79411 6.59891 6.03768 12.8098 7.36792 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 8.44588 9.34456 7.77295 4.83846 8.29529 5.86073 numMergedOcc 0
13 mol 129 unq 0 iso 0 dist 5.51129 6.1421 5.57978 7.86921 7.00798 8.54584 numMergedOcc 0
14 mol 229 unq 0 iso 0 dist 8.12807 9.67544 5.91886 6.23286 11.1268 9.87838 numMergedOcc 0
15 mol 234 unq 0 iso 0 dist 6.8314 9.5181 4.98993 9.15708 10.2233 9.36357 numMergedOcc 0
16 mol 234 unq 1 iso 0 dist 6.8314 9.5181 4.98993 4.94699 4.91961 6.7625 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 9.7451 9.09166 5.37535 6.74773 10.0709 6.22714 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 9.7451 9.09166 5.37535 9.48707 12.1555 7.31233 numMergedOcc 0
19 mol 249 unq 0 iso 0 dist 5.98732 9.14351 8.71871 12.1004 14.3622 7.57994 numMergedOcc 0
20 mol 249 unq 1 iso 0 dist 5.98732 9.14351 8.71871 9.40115 12.4246 6.18582 numMergedOcc 0
21 mol 253 unq 0 iso 0 dist 8.18538 5.27188 6.42688 5.34337 12.6977 7.32223 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 8.91236 8.70852 6.08432 5.07898 6.20344 7.84554 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 8.91236 9.89728 10.3156 5.07898 6.20344 7.46176 numMergedOcc 0
24 mol 259 unq 2 iso 0 dist 8.91236 6.42437 9.55719 5.07898 6.20344 9.18903 numMergedOcc 0
25 mol 264 unq 0 iso 0 dist 6.14231 6.20796 5.7052 6.9758 9.00498 9.17653 numMergedOcc 0
26 mol 264 unq 1 iso 0 dist 4.68488 7.73693 5.7052 5.00433 9.00498 9.17653 numMergedOcc 0
27 mol 276 unq 0 iso 0 dist 9.37008 8.63281 6.23528 12.388 14.4138 9.8993 numMergedOcc 0
28 mol 276 unq 1 iso 0 dist 9.37008 8.63281 6.23528 6.58819 11.4412 6.87396 numMergedOcc 0
29 mol 278 unq 0 iso 0 dist 8.20213 8.62414 7.25786 12.2316 15.0888 8.44326 numMergedOcc 0
