0 mol 33 unq 0 iso 0 dist 7.15141 8.8538 9.00543 6.1939 7.00648 7.97051 numMergedOcc 0
1 mol 52 unq 0 iso 0 dist 7.68916 5.20613 5.26018 10.6328 7.18176 9.26324 numMergedOcc 0
2 mol 52 unq 1 iso 0 dist 7.68916 12.9528 7.1203 10.6328 7.18176 6.22409 numMergedOcc 0
3 mol 52 unq 2 iso 0 dist 7.47417 9.16378 5.26018 10.4155 7.18176 9.26324 numMergedOcc 0
4 mol 52 unq 3 iso 0 dist 7.47417 9.86407 7.1203 10.4155 7.18176 6.22409 numMergedOcc 0
5 mol 70 unq 0 iso 0 dist 9.74268 14.243 7.63663 10.7301 7.92394 14.4842 numMergedOcc 0
6 mol 70 unq 1 iso 0 dist 9.74268 14.243 7.63663 11.7565 9.93423 14.7467 numMergedOcc 0
7 mol 70 unq 2 iso 0 dist 9.74268 14.243 7.63663 12.3296 9.34122 5.93792 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 8.28737 13.6156 5.56964 8.66353 8.97793 11.2136 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 8.28737 13.6156 5.56964 12.2209 8.19682 7.5192 numMergedOcc 0
10 mol 86 unq 0 iso 0 dist 7.26032 11.0259 8.40609 11.9674 7.79359 6.82648 numMergedOcc 0
11 mol 86 unq 1 iso 0 dist 5.49793 5.80063 8.40609 4.51657 7.79359 6.82648 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 5.09688 8.20567 8.92577 10.6273 8.72704 7.38658 numMergedOcc 0
13 mol 100 unq 1 iso 0 dist 5.09688 5.65432 9.56324 10.6273 8.72704 15.7025 numMergedOcc 0
14 mol 100 unq 2 iso 0 dist 9.26343 10.4985 8.92577 11.6898 8.72704 7.38658 numMergedOcc 0
15 mol 100 unq 3 iso 0 dist 9.26343 6.03516 9.56324 11.6898 8.72704 15.7025 numMergedOcc 0
16 mol 117 unq 0 iso 0 dist 9.41387 5.53825 7.0318 6.69306 6.62561 5.70073 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 6.99089 9.32667 5.57904 15.1358 8.6355 7.26771 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 4.93035 5.38959 7.34465 6.70767 6.93652 11.9359 numMergedOcc 0
19 mol 156 unq 0 iso 0 dist 7.80643 11.1371 9.19499 5.58352 9.36805 11.9162 numMergedOcc 0
20 mol 218 unq 0 iso 0 dist 6.22077 4.44409 8.2088 6.21463 9.50586 5.22669 numMergedOcc 0
21 mol 218 unq 1 iso 0 dist 6.22077 4.44409 8.2088 6.48676 7.13323 7.85937 numMergedOcc 0
22 mol 227 unq 0 iso 0 dist 6.18486 7.61598 7.71761 5.31715 8.83563 10.1071 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 7.2527 11.2481 5.67917 14.0776 9.90142 10.761 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 9.29203 14.3786 5.67917 11.091 9.90142 10.761 numMergedOcc 0
25 mol 238 unq 2 iso 0 dist 7.62771 14.3786 8.96639 12.4266 9.68513 12.8735 numMergedOcc 0
26 mol 238 unq 3 iso 0 dist 7.62771 14.3786 8.96639 11.091 5.9216 10.761 numMergedOcc 0
27 mol 249 unq 0 iso 0 dist 6.93507 5.35689 7.72708 5.63238 8.96876 6.94174 numMergedOcc 0
28 mol 265 unq 0 iso 0 dist 4.96568 9.17848 5.3051 6.67645 6.34034 6.10503 numMergedOcc 0
29 mol 272 unq 0 iso 0 dist 7.66615 13.1178 7.31993 6.68919 9.09992 13.7563 numMergedOcc 0
30 mol 272 unq 1 iso 0 dist 7.66615 13.1178 7.31993 8.13036 6.16449 5.91451 numMergedOcc 0
