0 mol 1 unq 0 iso 0 dist 9.44115 5.55519 9.78935 5.21705 5.96833 7.28542 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 7.90928 11.5824 9.78935 5.06184 5.96833 7.28542 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 8.95503 8.20812 6.05338 6.23648 6.02154 4.87654 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 7.88576 4.72199 7.33936 5.78495 7.11053 4.87576 numMergedOcc 0
4 mol 41 unq 0 iso 0 dist 8.91418 13.911 6.59367 9.00425 7.29079 13.7087 numMergedOcc 0
5 mol 41 unq 1 iso 0 dist 6.0961 6.07784 6.59367 12.6048 7.29079 13.7087 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 8.17564 6.07398 8.10708 10.8351 8.67634 5.39975 numMergedOcc 0
7 mol 59 unq 1 iso 0 dist 8.17564 13.9662 8.42956 10.8351 8.67634 5.08334 numMergedOcc 0
8 mol 59 unq 2 iso 0 dist 8.17564 11.9466 9.20253 10.8351 8.67634 5.46757 numMergedOcc 0
9 mol 59 unq 3 iso 0 dist 7.19213 4.58297 8.10708 8.08163 8.67634 5.39975 numMergedOcc 0
10 mol 59 unq 4 iso 0 dist 7.19213 11.3605 8.42956 8.08163 8.67634 5.08334 numMergedOcc 0
11 mol 59 unq 5 iso 0 dist 7.19213 10.8174 9.20253 8.08163 8.67634 5.46757 numMergedOcc 0
12 mol 59 unq 6 iso 0 dist 6.94351 12.5806 8.10708 10.8454 8.67634 5.39975 numMergedOcc 0
13 mol 59 unq 7 iso 0 dist 6.94351 7.6079 8.42956 10.8454 8.67634 5.08334 numMergedOcc 0
14 mol 59 unq 8 iso 0 dist 6.94351 8.93644 9.20253 10.8454 8.67634 5.46757 numMergedOcc 0
15 mol 61 unq 0 iso 0 dist 7.09641 9.13451 8.91255 7.69571 9.92638 8.35263 numMergedOcc 0
16 mol 159 unq 0 iso 0 dist 8.94941 7.6727 9.2256 9.84064 8.88492 10.0838 numMergedOcc 0
17 mol 173 unq 0 iso 0 dist 9.56248 4.52935 7.33162 15.8873 8.62366 15.3642 numMergedOcc 0
18 mol 173 unq 1 iso 0 dist 9.56248 4.52935 7.33162 14.9274 9.44973 14.6996 numMergedOcc 0
19 mol 173 unq 2 iso 0 dist 9.56248 4.52935 7.33162 9.35913 6.52508 10.1636 numMergedOcc 0
20 mol 214 unq 0 iso 0 dist 9.39099 9.18058 6.96139 9.75492 9.58372 10.0389 numMergedOcc 0
21 mol 220 unq 0 iso 0 dist 9.59591 5.98722 8.42522 11.5712 8.31974 9.04265 numMergedOcc 0
22 mol 227 unq 0 iso 0 dist 8.42382 5.22879 6.37369 12.9828 9.8009 9.72794 numMergedOcc 0
23 mol 233 unq 0 iso 0 dist 7.83363 8.42399 5.64376 4.98419 8.24424 8.21114 numMergedOcc 0
24 mol 233 unq 1 iso 0 dist 7.83363 8.42399 5.64376 7.08719 7.0942 5.73999 numMergedOcc 0
25 mol 233 unq 2 iso 0 dist 7.83363 8.42399 5.64376 10.7478 6.01775 9.13536 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 9.46582 4.13744 6.40309 5.17342 7.39547 5.36582 numMergedOcc 0
27 mol 273 unq 0 iso 0 dist 9.79283 15.6015 7.96519 12.2057 9.35749 9.73521 numMergedOcc 0
28 mol 282 unq 0 iso 0 dist 9.20119 4.22263 7.10557 10.9015 7.52924 8.55841 numMergedOcc 0
29 mol 282 unq 1 iso 0 dist 8.96997 12.2949 7.10557 7.77671 7.52924 8.55841 numMergedOcc 0
