0 mol 10 unq 0 iso 0 dist 8.44864 6.50444 3.92592 5.94361 5.59965 6.18431 3.5691 9.85732 6.77807 7.60549 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 7.95811 6.50001 6.56765 4.46394 7.46578 6.859 9.80646 13.0898 9.89425 6.76736 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.99751 9.90986 5.29055 14.288 10.157 6.81793 3.30063 9.82851 8.97754 12.5394 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 9.44507 9.90986 4.76998 14.288 6.56527 6.81793 3.30063 9.11311 8.97754 12.5394 numMergedOcc 0
4 mol 46 unq 0 iso 0 dist 9.27409 8.55202 4.07933 10.7567 9.46945 5.43693 8.99132 8.83986 5.4713 3.57198 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 8.17655 8.57705 3.81317 4.32712 8.03296 8.02443 8.65738 6.2576 8.18375 6.07693 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 8.17655 8.57705 3.81317 11.1935 9.26979 9.09458 8.65738 6.2576 8.18375 5.25584 numMergedOcc 0
7 mol 79 unq 2 iso 0 dist 6.47416 8.57705 4.08868 4.32712 5.82754 8.02443 8.65738 8.96069 8.18375 6.07693 numMergedOcc 0
8 mol 79 unq 3 iso 0 dist 6.47416 8.57705 4.08868 11.1935 9.05679 9.09458 8.65738 8.96069 8.18375 5.25584 numMergedOcc 0
9 mol 79 unq 4 iso 0 dist 8.0255 8.57705 5.64395 4.32712 10.0459 8.02443 8.65738 12.2074 8.18375 6.07693 numMergedOcc 0
10 mol 79 unq 5 iso 0 dist 8.0255 8.57705 5.64395 11.1935 13.9817 9.09458 8.65738 12.2074 8.18375 5.25584 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 7.6793 5.56446 9.84473 12.541 16.4417 7.58337 7.06015 6.90583 5.95801 10.3222 numMergedOcc 0
12 mol 141 unq 1 iso 0 dist 7.6793 5.56446 9.84473 12.541 16.4417 7.58337 6 6.75593 9.92715 17.5034 numMergedOcc 0
13 mol 168 unq 0 iso 0 dist 8.90876 9.23064 12.6805 4.10406 10.0169 9.85438 7.13766 6.12453 7.0961 7.27069 numMergedOcc 0
14 mol 168 unq 1 iso 0 dist 8.90876 9.23064 12.6805 4.10406 10.0169 9.85438 7.29489 9.87447 8.26768 4.51252 numMergedOcc 0
15 mol 168 unq 2 iso 0 dist 8.90876 7.30338 4.02702 4.10406 10.0169 9.42807 7.13766 6.12453 8.21227 7.27069 numMergedOcc 0
16 mol 171 unq 0 iso 0 dist 6.80086 6.51523 5.3374 4.98945 10.3989 7.47964 11.244 12.3135 9.68512 8.77204 numMergedOcc 0
17 mol 184 unq 0 iso 0 dist 8.95598 8.27396 4.67256 12.4352 7.54099 7.58375 9.10254 7.02762 5.23187 4.12242 numMergedOcc 0
18 mol 193 unq 0 iso 0 dist 9.37035 7.85801 8.86693 9.87367 14.406 8.15661 11.9413 12.0061 6.94187 5.96435 numMergedOcc 0
