0 mol 26 unq 0 iso 0 dist 8.84763 7.19483 9.27369 5.21858 6.46104 10.2609 10.6287 7.3022 10.1809 11.0099 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.84763 7.19483 9.27369 6.29941 7.36856 8.18809 10.6287 7.3022 10.1809 4.74747 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 9.61335 12.3141 5.66743 15.1255 9.52474 9.49066 12.5648 7.60283 11.6846 7.50515 numMergedOcc 0
3 mol 27 unq 1 iso 0 dist 9.61335 15.7363 7.42669 15.1255 9.52474 4.91484 12.5648 7.60283 8.05284 7.50515 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 7.63526 5.22908 6.94677 11.9454 9.25641 8.42799 8.05989 7.46994 7.43727 5.94559 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 6.02731 13.7005 8.2746 11.4221 7.56205 4.47138 7.29999 6.04903 12.1095 11.7069 numMergedOcc 0
6 mol 62 unq 1 iso 0 dist 6.02731 13.7005 8.2746 4.05764 4.74544 10.9596 7.29999 6.04903 12.1095 5.49555 numMergedOcc 0
7 mol 146 unq 0 iso 0 dist 6.28491 3.96561 7.13378 5.15943 8.84535 8.76758 10.8638 9.44952 10.9218 14.7359 numMergedOcc 0
8 mol 146 unq 1 iso 0 dist 6.28491 3.96561 7.13378 5.67737 8.82188 6.347 10.8638 9.44952 10.9218 7.00857 numMergedOcc 0
9 mol 148 unq 0 iso 0 dist 7.91633 12.5923 9.80819 5.5847 6.22055 9.27313 15.2878 9.73927 11.6995 10.2478 numMergedOcc 0
10 mol 148 unq 1 iso 0 dist 7.91633 12.5923 9.80819 10.3708 8.18085 12.8573 15.2878 9.73927 11.6995 6.84291 numMergedOcc 0
11 mol 150 unq 0 iso 0 dist 8.11909 12.2354 9.81665 5.64485 6.14675 9.25213 15.4689 9.66129 11.8035 10.2318 numMergedOcc 0
12 mol 150 unq 1 iso 0 dist 8.11909 12.2354 9.81665 10.6142 7.94889 12.8265 15.4689 9.66129 11.8035 6.79619 numMergedOcc 0
13 mol 168 unq 0 iso 0 dist 8.80059 9.52243 8.90876 14.4671 7.44629 12.1014 8.27116 7.60254 6.39941 8.67522 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 6.38654 5.64063 7.26887 6.89249 8.94014 4.39639 12.2552 7.04753 11.0995 10.8635 numMergedOcc 0
15 mol 238 unq 1 iso 0 dist 6.38654 5.64063 7.26887 9.42382 7.02333 6.57364 12.2552 7.04753 11.0995 5.68826 numMergedOcc 0
16 mol 238 unq 2 iso 0 dist 6.38654 5.64063 7.26887 11.5722 8.67864 10.9854 12.2552 7.04753 11.0995 4.87097 numMergedOcc 0
17 mol 238 unq 3 iso 0 dist 9.77185 10.1782 7.26887 9.71057 8.94014 4.39639 5.27441 7.04753 11.0995 10.8635 numMergedOcc 0
18 mol 238 unq 4 iso 0 dist 9.77185 10.1782 7.26887 4.39154 7.02333 6.57364 5.27441 7.04753 11.0995 5.68826 numMergedOcc 0
19 mol 238 unq 5 iso 0 dist 9.77185 10.1782 7.26887 6.77956 8.67864 10.9854 5.27441 7.04753 11.0995 4.87097 numMergedOcc 0
20 mol 243 unq 0 iso 0 dist 7.24253 14.1451 8.55613 6.54531 7.49645 11.7757 5.32118 7.12785 10.4928 5.70464 numMergedOcc 0
21 mol 243 unq 1 iso 0 dist 7.24253 14.1451 8.55613 6.54531 7.49645 11.7757 11.4546 6.66959 4.20431 7.83758 numMergedOcc 0
22 mol 243 unq 2 iso 0 dist 7.24253 14.1451 8.55613 11.6229 9.9222 11.9474 5.32118 7.12785 10.4928 10.3961 numMergedOcc 0
23 mol 243 unq 3 iso 0 dist 7.24253 14.1451 8.55613 11.6229 9.9222 11.9474 11.4546 6.66959 4.20431 7.8399 numMergedOcc 0
