0 mol 32 unq 0 iso 0 dist 8.68559 7.26268 5.57199 6.68431 7.48825 8.74576 7.99969 7.14527 6.30042 4.62858 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 6.99408 5.94756 4.51883 7.39653 8.13782 5.81001 9.49841 6.39184 4.06745 5.55096 numMergedOcc 0
2 mol 114 unq 0 iso 0 dist 6.73814 5.7144 4.81369 6.95201 8.39249 5.51885 9.39063 6.76585 4.08391 5.79343 numMergedOcc 0
3 mol 115 unq 0 iso 0 dist 7.76729 6.24825 5.78043 10.2377 6.40036 7.65255 12.125 9.65908 6.44969 7.52142 numMergedOcc 0
4 mol 115 unq 1 iso 0 dist 9.66954 6.39384 6.49835 10.7942 12.4065 8.0168 13.3009 16.4702 10.3264 7.70313 numMergedOcc 0
5 mol 115 unq 2 iso 0 dist 8.66155 9.42082 6.49835 10.9739 12.4065 8.0168 17.0848 16.4702 10.3264 7.70313 numMergedOcc 0
6 mol 115 unq 3 iso 0 dist 7.64585 6.39384 5.65471 10.7942 6.40036 8.0168 13.3009 5.67953 10.3264 7.70313 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 8.94837 9.00918 5.58312 5.9915 6.4218 5.73203 11.2937 7.99114 4.07076 6.21403 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 8.94837 7.99477 9.61537 5.9915 6.4218 6.57379 11.2937 7.99114 6.32315 6.21403 numMergedOcc 0
9 mol 167 unq 0 iso 0 dist 8.62646 7.20495 4.15547 6.36909 11.5173 9.1326 9.67741 7.31643 5.43662 7.80054 numMergedOcc 0
10 mol 167 unq 1 iso 0 dist 8.62646 7.02548 6.24722 6.36909 11.5173 7.30954 9.67741 7.31643 5.95858 7.80054 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 7.98142 6.64173 4.48306 6.7991 12.2455 9.09234 5.94469 8.93991 4.98436 7.05653 numMergedOcc 0
12 mol 181 unq 1 iso 0 dist 7.98142 9.01624 12.2513 6.7991 12.2455 6.76746 5.94469 8.93991 11.9796 7.05653 numMergedOcc 0
13 mol 181 unq 2 iso 0 dist 7.98142 9.55105 10.2172 6.7991 12.2455 8.92098 5.94469 8.93991 12.3589 7.05653 numMergedOcc 0
14 mol 181 unq 3 iso 0 dist 7.37327 6.64173 4.88823 6.7991 11.691 9.09234 5.94469 5.35588 4.98436 7.05653 numMergedOcc 0
15 mol 181 unq 4 iso 0 dist 7.37327 9.01624 14.8923 6.7991 11.691 6.76746 5.94469 5.35588 11.9796 7.05653 numMergedOcc 0
16 mol 181 unq 5 iso 0 dist 7.37327 9.55105 14.2334 6.7991 11.691 8.92098 5.94469 5.35588 12.3589 7.05653 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 6.77938 8.03219 8.90322 5.31048 11.4462 8.84648 10.4552 12.0428 7.57379 8.71497 numMergedOcc 0
18 mol 259 unq 1 iso 0 dist 6.77938 6.9899 9.2872 5.31048 11.4462 6.23661 10.4552 12.0428 4.47425 8.71497 numMergedOcc 0
19 mol 259 unq 2 iso 0 dist 7.76676 8.03219 7.27192 5.31048 9.64797 8.84648 10.4552 6.47089 7.57379 8.71497 numMergedOcc 0
20 mol 259 unq 3 iso 0 dist 7.76676 6.9899 4.61451 5.31048 9.64797 6.23661 10.4552 6.47089 4.47425 8.71497 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 6.50589 6.4611 5.70568 5.31116 8.49866 6.66172 10.5387 11.0599 5.39432 9.20749 numMergedOcc 0
22 mol 292 unq 0 iso 0 dist 9.454 9.9182 8.68456 18.0293 16.4201 8.73515 19.2773 14.9903 9.40023 5.7131 numMergedOcc 0
