0 mol 52 unq 0 iso 0 dist 7.68916 5.20613 5.26018 11.9986 9.80098 12.8491 10.6328 7.18176 9.26324 5.93337 numMergedOcc 0
1 mol 52 unq 1 iso 0 dist 7.68916 5.20613 5.26018 13.3091 7.34143 10.3287 10.6328 7.18176 9.26324 4.5482 numMergedOcc 0
2 mol 52 unq 2 iso 0 dist 7.68916 12.9528 7.1203 11.9986 9.80098 5.92851 10.6328 7.18176 6.22409 5.93337 numMergedOcc 0
3 mol 52 unq 3 iso 0 dist 7.68916 12.9528 7.1203 13.3091 7.34143 6.03647 10.6328 7.18176 6.22409 4.5482 numMergedOcc 0
4 mol 52 unq 4 iso 0 dist 7.47417 9.16378 5.26018 8.90624 9.80098 12.8491 10.4155 7.18176 9.26324 5.93337 numMergedOcc 0
5 mol 52 unq 5 iso 0 dist 7.47417 9.16378 5.26018 13.0115 7.34143 10.3287 10.4155 7.18176 9.26324 4.5482 numMergedOcc 0
6 mol 52 unq 6 iso 0 dist 7.47417 9.86407 7.1203 8.90624 9.80098 5.92851 10.4155 7.18176 6.22409 5.93337 numMergedOcc 0
7 mol 52 unq 7 iso 0 dist 7.47417 9.86407 7.1203 13.0115 7.34143 6.03647 10.4155 7.18176 6.22409 4.5482 numMergedOcc 0
8 mol 70 unq 0 iso 0 dist 9.74268 14.243 7.63663 6.95018 9.65964 14.2824 10.7301 7.92394 14.4842 6.65811 numMergedOcc 0
9 mol 70 unq 1 iso 0 dist 9.74268 14.243 7.63663 6.95018 9.65964 14.2824 11.7565 9.93423 14.7467 5.47516 numMergedOcc 0
10 mol 70 unq 2 iso 0 dist 9.74268 14.243 7.63663 6.95018 9.65964 14.2824 12.3296 9.34122 5.93792 11.0952 numMergedOcc 0
11 mol 86 unq 0 iso 0 dist 7.26032 11.0259 8.40609 5.91309 9.5497 9.54732 11.9674 7.79359 6.82648 9.68893 numMergedOcc 0
12 mol 86 unq 1 iso 0 dist 5.49793 5.80063 8.40609 5.82069 9.5497 9.54732 4.51657 7.79359 6.82648 9.68893 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 5.09688 8.20567 8.92577 9.65979 6.45675 6.89293 10.6273 8.72704 7.38658 7.2495 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 5.09688 8.20567 8.92577 12.2879 7.47343 12.0555 10.6273 8.72704 7.38658 10.1589 numMergedOcc 0
15 mol 100 unq 2 iso 0 dist 5.09688 8.20567 8.92577 10.2364 8.86688 12.7188 10.6273 8.72704 7.38658 15.9331 numMergedOcc 0
16 mol 100 unq 3 iso 0 dist 5.09688 5.65432 9.56324 9.65979 6.45675 15.1093 10.6273 8.72704 15.7025 7.2495 numMergedOcc 0
17 mol 100 unq 4 iso 0 dist 5.09688 5.65432 9.56324 12.2879 7.47343 16.8752 10.6273 8.72704 15.7025 10.1589 numMergedOcc 0
18 mol 100 unq 5 iso 0 dist 5.09688 5.65432 9.56324 10.2364 8.86688 13.0353 10.6273 8.72704 15.7025 15.9331 numMergedOcc 0
19 mol 100 unq 6 iso 0 dist 9.26343 10.4985 8.92577 13.666 6.45675 6.89293 11.6898 8.72704 7.38658 7.2495 numMergedOcc 0
20 mol 100 unq 7 iso 0 dist 9.26343 10.4985 8.92577 16.4386 7.47343 12.0555 11.6898 8.72704 7.38658 10.1589 numMergedOcc 0
21 mol 100 unq 8 iso 0 dist 9.26343 10.4985 8.92577 15.5646 8.86688 12.7188 11.6898 8.72704 7.38658 15.9331 numMergedOcc 0
22 mol 100 unq 9 iso 0 dist 9.26343 6.03516 9.56324 13.666 6.45675 15.1093 11.6898 8.72704 15.7025 7.2495 numMergedOcc 0
23 mol 100 unq 10 iso 0 dist 9.26343 6.03516 9.56324 16.4386 7.47343 16.8752 11.6898 8.72704 15.7025 10.1589 numMergedOcc 0
24 mol 100 unq 11 iso 0 dist 9.26343 6.03516 9.56324 15.5646 8.86688 13.0353 11.6898 8.72704 15.7025 15.9331 numMergedOcc 0
25 mol 117 unq 0 iso 0 dist 9.41387 5.53825 7.0318 6.54872 9.84395 8.12649 6.69306 6.62561 5.70073 11.3679 numMergedOcc 0
26 mol 117 unq 1 iso 0 dist 9.41387 5.53825 7.0318 9.3855 7.90328 5.21051 6.69306 6.62561 5.70073 4.91401 numMergedOcc 0
27 mol 134 unq 0 iso 0 dist 6.99089 9.32667 5.57904 10.1742 6.54501 7.41837 15.1358 8.6355 7.26771 10.1448 numMergedOcc 0
28 mol 134 unq 1 iso 0 dist 6.99089 9.32667 5.57904 12.6542 6.49416 6.50005 15.1358 8.6355 7.26771 5.41704 numMergedOcc 0
29 mol 156 unq 0 iso 0 dist 7.80643 11.1371 9.19499 6.52984 7.44554 5.66289 5.58352 9.36805 11.9162 6.29785 numMergedOcc 0
30 mol 227 unq 0 iso 0 dist 6.18486 7.61598 7.71761 6.78651 7.55216 5.841 5.31715 8.83563 10.1071 11.662 numMergedOcc 0
31 mol 265 unq 0 iso 0 dist 4.96568 9.17848 5.3051 5.25115 8.4218 11.4819 6.67645 6.34034 6.10503 6.43013 numMergedOcc 0
32 mol 272 unq 0 iso 0 dist 7.66615 13.1178 7.31993 11.4664 9.97651 7.33684 6.68919 9.09992 13.7563 10.841 numMergedOcc 0
33 mol 272 unq 1 iso 0 dist 7.66615 13.1178 7.31993 11.4664 9.97651 7.33684 8.13036 6.16449 5.91451 4.72202 numMergedOcc 0
34 mol 272 unq 2 iso 0 dist 7.66615 13.1178 7.31993 10.3544 8.46116 10.4451 6.68919 9.09992 13.7563 5.63139 numMergedOcc 0
35 mol 272 unq 3 iso 0 dist 7.66615 13.1178 7.31993 10.3544 8.46116 10.4451 8.13036 6.16449 5.91451 8.52877 numMergedOcc 0
