0 mol 15 unq 0 iso 0 dist 9.70735 9.40358 9.97507 4.90888 6.82505 5.17568 15.9729 12.1303 7.48342 11.2317 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 14.9411 8.38394 6.44287 20.0654 14.012 9.41441 15.392 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 6.23095 11.5983 6.03987 10.747 7.31767 4.51512 11.0789 5.68392 6.85556 9.79094 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 9.70415 5.46309 6.65721 11.9897 6.72123 6.86346 5.67362 13.5488 9.25641 14.4663 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 6.7212 11.6369 9.96708 6.12361 9.78528 8.24309 16.4419 11.6378 9.27838 16.0048 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 6.56728 11.609 7.47541 13.5384 7.66905 5.42586 17.8623 13.5116 9.82915 12.0078 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 6.56728 11.609 7.47541 5.29763 5.73196 6.87425 17.8623 13.5116 9.82915 14.4382 numMergedOcc 0
7 mol 85 unq 2 iso 0 dist 6.56728 13.5384 7.66905 11.609 7.47541 5.42586 9.51674 4.65335 7.54568 10.0796 numMergedOcc 0
8 mol 85 unq 3 iso 0 dist 6.56728 13.5384 7.66905 5.29763 5.73196 10.1164 9.51674 4.65335 7.54568 9.39864 numMergedOcc 0
9 mol 85 unq 4 iso 0 dist 6.56728 5.29763 5.73196 11.609 7.47541 6.87425 9.51674 4.65335 9.39864 10.0796 numMergedOcc 0
10 mol 85 unq 5 iso 0 dist 6.56728 5.29763 5.73196 13.5384 7.66905 10.1164 9.51674 4.65335 9.39864 7.54568 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 8.05602 12.0507 5.08437 4.72129 6.48948 9.51923 13.251 7.06961 6.7117 9.42961 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 8.05602 12.0507 5.08437 12.0339 6.10456 8.40073 13.251 7.06961 6.7117 4.47349 numMergedOcc 0
13 mol 98 unq 2 iso 0 dist 8.05602 12.0339 6.10456 12.0507 5.08437 8.40073 13.251 7.06961 4.47349 6.7117 numMergedOcc 0
14 mol 98 unq 3 iso 0 dist 8.05602 12.0339 6.10456 4.72129 6.48948 9.42358 13.251 7.06961 4.47349 9.42961 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 8.92577 12.0555 7.47343 6.89293 6.45675 5.33144 15.5006 12.2861 8.30845 10.6086 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 8.92577 12.0555 7.47343 6.89293 6.45675 5.33144 20.027 15.5385 8.76378 13.2102 numMergedOcc 0
17 mol 100 unq 2 iso 0 dist 8.92577 12.0555 7.47343 12.7188 8.86688 10.1407 15.5006 12.2861 8.30845 18.1777 numMergedOcc 0
18 mol 100 unq 3 iso 0 dist 8.92577 12.0555 7.47343 12.7188 8.86688 10.1407 20.027 15.5385 8.76378 14.0386 numMergedOcc 0
19 mol 100 unq 4 iso 0 dist 9.56324 16.8752 7.47343 15.1093 6.45675 5.33144 21.1917 12.2861 8.30845 10.6086 numMergedOcc 0
20 mol 100 unq 5 iso 0 dist 9.56324 16.8752 7.47343 15.1093 6.45675 5.33144 24.0706 15.5385 8.76378 13.2102 numMergedOcc 0
21 mol 100 unq 6 iso 0 dist 9.56324 16.8752 7.47343 13.0353 8.86688 10.1407 21.1917 12.2861 8.30845 18.1777 numMergedOcc 0
22 mol 100 unq 7 iso 0 dist 9.56324 16.8752 7.47343 13.0353 8.86688 10.1407 24.0706 15.5385 8.76378 14.0386 numMergedOcc 0
23 mol 100 unq 8 iso 0 dist 5.70279 5.92158 7.47343 5.85449 6.65086 8.8807 12.1601 11.2312 7.38135 15.4031 numMergedOcc 0
24 mol 100 unq 9 iso 0 dist 5.70279 5.92158 7.47343 7.68675 6.56369 12.6515 12.1601 11.2312 7.38135 17.2419 numMergedOcc 0
25 mol 100 unq 10 iso 0 dist 5.70279 5.92158 7.47343 9.53223 9.30209 13.887 12.1601 11.2312 7.38135 19.8941 numMergedOcc 0
26 mol 115 unq 0 iso 0 dist 6.55511 5.47689 5.11551 6.00348 7.11972 6.5838 10.0041 6.77806 6.92026 5.88249 numMergedOcc 0
27 mol 115 unq 1 iso 0 dist 6.55511 6.00348 7.11972 5.47689 5.11551 6.5838 10.0041 6.77806 5.88249 6.92026 numMergedOcc 0
28 mol 115 unq 2 iso 0 dist 8.46684 5.14332 6.90986 5.28643 5.39945 5.67807 5.9575 5.31484 5.88249 6.97707 numMergedOcc 0
29 mol 115 unq 3 iso 0 dist 8.46684 5.28643 5.39945 5.14332 6.90986 5.67807 5.9575 5.31484 6.97707 5.88249 numMergedOcc 0
30 mol 129 unq 0 iso 0 dist 6.23966 6.65856 5.83384 5.16275 9.61051 9.05135 15.008 10.7293 9.36851 16.0242 numMergedOcc 0
31 mol 129 unq 1 iso 0 dist 6.23966 6.65856 5.83384 5.16275 9.61051 9.05135 11.0726 7.29399 4.97175 13.4182 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 7.27598 6.50005 6.37586 12.0971 9.71307 6.81259 9.95528 5.29786 6.23142 9.94764 numMergedOcc 0
33 mol 134 unq 1 iso 0 dist 7.27598 12.0971 9.71307 6.50005 6.37586 6.81259 9.95528 5.29786 9.94764 6.23142 numMergedOcc 0
34 mol 134 unq 2 iso 0 dist 5.57904 7.41837 6.54501 6.50005 6.49416 5.00526 9.95528 5.71679 7.69991 6.23142 numMergedOcc 0
35 mol 134 unq 3 iso 0 dist 5.57904 6.50005 6.49416 7.41837 6.54501 5.00526 9.95528 5.71679 6.23142 7.69991 numMergedOcc 0
36 mol 156 unq 0 iso 0 dist 7.11647 5.66289 8.94056 5.59399 7.66148 10.1658 10.6749 6.13574 9.4013 11.1147 numMergedOcc 0
37 mol 181 unq 0 iso 0 dist 8.90247 5.114 9.1374 14.0828 8.03334 13.2049 9.99409 8.91338 8.90963 16.082 numMergedOcc 0
38 mol 181 unq 1 iso 0 dist 8.90247 14.0828 8.03334 5.114 9.1374 13.2049 11.3392 4.43096 6.46704 12.4878 numMergedOcc 0
39 mol 181 unq 2 iso 0 dist 8.90247 14.0828 8.03334 5.114 9.1374 13.2049 13.656 8.04639 6.59025 10.6908 numMergedOcc 0
40 mol 186 unq 0 iso 0 dist 5.16813 5.87924 9.70748 8.61343 7.54065 13.8792 5.77158 5.4141 7.66165 12.4002 numMergedOcc 0
41 mol 186 unq 1 iso 0 dist 5.16813 5.87924 9.70748 11.0854 8.87694 14.9058 5.77158 5.4141 7.66165 14.0016 numMergedOcc 0
42 mol 186 unq 2 iso 0 dist 5.16813 8.61343 7.54065 5.87924 9.70748 13.8792 12.0848 11.7429 8.73217 17.7621 numMergedOcc 0
43 mol 186 unq 3 iso 0 dist 5.16813 8.61343 7.54065 11.0854 8.87694 5.74635 12.0848 11.7429 8.73217 14.2425 numMergedOcc 0
44 mol 220 unq 0 iso 0 dist 6.21273 5.1021 9.23153 6.29601 8.24498 10.5449 7.58118 7.11498 6.59716 13.1498 numMergedOcc 0
45 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 6.38287 7.09863 4.39704 11.9075 6.35849 7.43071 6.02296 numMergedOcc 0
46 mol 227 unq 1 iso 0 dist 9.60159 7.51316 7.22101 6.38287 7.09863 4.39704 11.7218 10.9607 5.41321 9.74265 numMergedOcc 0
47 mol 227 unq 2 iso 0 dist 9.60159 6.38287 7.09863 7.51316 7.22101 4.39704 11.9075 6.35849 6.02296 7.43071 numMergedOcc 0
48 mol 258 unq 0 iso 0 dist 8.9706 5.70285 6.60405 6.50871 6.42289 7.26417 11.8123 5.63675 7.21311 11.2102 numMergedOcc 0
