0 mol 9 unq 0 iso 0 dist 6.55811 7.36018 5.43306 9.10873 6.17406 10.5868 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 6.55811 7.36018 5.43306 7.6565 7.2707 8.99816 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 6.55811 8.48677 6.17866 9.10873 6.17406 8.64753 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 6.55811 8.48677 6.17866 7.6565 7.2707 5.96667 numMergedOcc 0
4 mol 9 unq 4 iso 0 dist 8.64915 8.17347 5.43306 13.1204 6.17406 10.5868 numMergedOcc 0
5 mol 9 unq 5 iso 0 dist 8.64915 8.17347 5.43306 12.3746 7.2707 8.99816 numMergedOcc 0
6 mol 9 unq 6 iso 0 dist 8.64915 7.83133 11.3401 13.1204 6.17406 16.8376 numMergedOcc 0
7 mol 9 unq 7 iso 0 dist 8.64915 7.83133 11.3401 12.3746 7.2707 14.8234 numMergedOcc 0
8 mol 9 unq 8 iso 0 dist 7.36018 6.55811 5.43306 7.6565 8.99816 7.2707 numMergedOcc 0
9 mol 9 unq 9 iso 0 dist 7.36018 8.48677 4.41171 7.6565 8.99816 5.96667 numMergedOcc 0
10 mol 9 unq 10 iso 0 dist 8.17347 8.64915 5.43306 12.3746 8.99816 7.2707 numMergedOcc 0
11 mol 9 unq 11 iso 0 dist 8.17347 7.83133 6.8386 12.3746 8.99816 14.8234 numMergedOcc 0
12 mol 9 unq 12 iso 0 dist 8.48677 6.55811 6.17866 9.10873 8.64753 6.17406 numMergedOcc 0
13 mol 9 unq 13 iso 0 dist 8.48677 6.55811 6.17866 7.6565 5.96667 7.2707 numMergedOcc 0
14 mol 9 unq 14 iso 0 dist 8.48677 7.36018 4.41171 9.10873 8.64753 10.5868 numMergedOcc 0
15 mol 9 unq 15 iso 0 dist 8.48677 7.36018 4.41171 7.6565 5.96667 8.99816 numMergedOcc 0
16 mol 20 unq 0 iso 0 dist 7.51452 6.03547 6.92904 10.0614 6.70097 5.69408 numMergedOcc 0
17 mol 20 unq 1 iso 0 dist 6.03547 7.51452 6.92904 10.0614 5.69408 6.70097 numMergedOcc 0
18 mol 20 unq 2 iso 0 dist 9.20198 6.09764 6.05053 11.637 6.70097 11.5741 numMergedOcc 0
19 mol 24 unq 0 iso 0 dist 8.4051 8.23446 14.1082 13.2525 6.23824 17.7468 numMergedOcc 0
20 mol 24 unq 1 iso 0 dist 8.4051 8.75662 9.62033 13.2525 6.23824 15.4233 numMergedOcc 0
21 mol 24 unq 2 iso 0 dist 7.29868 7.33768 10.2653 4.99125 6.23824 11.3404 numMergedOcc 0
22 mol 24 unq 3 iso 0 dist 7.29868 9.01567 6.16544 4.99125 6.23824 9.27694 numMergedOcc 0
23 mol 24 unq 4 iso 0 dist 8.60554 8.44664 14.1496 11.4659 6.23824 18.6051 numMergedOcc 0
24 mol 24 unq 5 iso 0 dist 8.60554 9.44691 9.62033 11.4659 6.23824 15.4233 numMergedOcc 0
25 mol 65 unq 0 iso 0 dist 6.72639 9.34791 5.56801 6.58414 8.76172 12.3332 numMergedOcc 0
26 mol 65 unq 1 iso 0 dist 6.76508 8.22785 5.56801 4.92177 8.76172 12.3332 numMergedOcc 0
27 mol 68 unq 0 iso 0 dist 6.36086 7.26024 6.00618 5.60655 7.00506 9.94243 numMergedOcc 0
28 mol 100 unq 0 iso 0 dist 8.30845 8.76378 13.3504 12.8256 6.84692 16.1549 numMergedOcc 0
29 mol 100 unq 1 iso 0 dist 8.76378 8.30845 13.3504 4.46114 6.87566 11.5672 numMergedOcc 0
30 mol 133 unq 0 iso 0 dist 9.22661 9.22232 18.2432 9.07018 6.66076 16.2363 numMergedOcc 0
31 mol 133 unq 1 iso 0 dist 9.22661 7.56378 7.33253 9.07018 6.66076 11.999 numMergedOcc 0
32 mol 135 unq 0 iso 0 dist 7.90563 5.62052 6.35752 10.5706 7.83735 12.834 numMergedOcc 0
33 mol 135 unq 1 iso 0 dist 8.97655 7.85645 6.35752 11.8378 7.83735 12.834 numMergedOcc 0
34 mol 170 unq 0 iso 0 dist 6.35982 7.51126 6.24983 9.77705 8.20406 13.1614 numMergedOcc 0
35 mol 170 unq 1 iso 0 dist 6.35982 7.51126 6.24983 5.36359 7.19802 11.4359 numMergedOcc 0
36 mol 170 unq 2 iso 0 dist 6.35982 7.51126 6.24983 8.84552 7.75807 12.6193 numMergedOcc 0
37 mol 181 unq 0 iso 0 dist 6.46704 6.59025 9.87773 5.87996 8.91675 12.2464 numMergedOcc 0
38 mol 181 unq 1 iso 0 dist 5.9176 6.41453 9.53592 5.83639 6.2176 10.9996 numMergedOcc 0
39 mol 188 unq 0 iso 0 dist 7.14503 8.10214 9.01338 5.22586 6.65177 12.2849 numMergedOcc 0
40 mol 194 unq 0 iso 0 dist 6.72379 8.29382 6.7294 12.3879 5.67863 10.1196 numMergedOcc 0
41 mol 234 unq 0 iso 0 dist 7.32499 6.30154 10.0708 13.1319 9.38888 15.3813 numMergedOcc 0
42 mol 235 unq 0 iso 0 dist 6.21292 6.95126 10.2834 6.55862 5.3481 11.0597 numMergedOcc 0
43 mol 274 unq 0 iso 0 dist 9.45514 6.39866 10.7637 10.0247 7.1364 14.6254 numMergedOcc 0
44 mol 274 unq 1 iso 0 dist 6.39866 9.45514 10.7637 6.38211 5.0002 13.3884 numMergedOcc 0
