0 mol 7 unq 0 iso 0 dist 8.40995 7.32392 4.77411 10.4879 14.3476 9.85726 15.5277 12.4562 9.60499 11.5784 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 5.41248 6.57999 10.1093 5.24855 9.70374 7.45487 7.35767 12.5407 9.62879 5.43751 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 7.45665 6.4754 4.62402 6.06114 10.1631 7.45487 7.06064 13.0573 9.62879 5.43751 numMergedOcc 0
3 mol 14 unq 0 iso 0 dist 8.05352 6.89209 9.85095 6.09608 11.2773 8.39221 5.49061 12.859 6.38364 7.00835 numMergedOcc 0
4 mol 14 unq 1 iso 0 dist 8.5032 6.89209 6.83016 6.09608 10.7348 8.39221 5.49061 11.7361 6.38364 7.00835 numMergedOcc 0
5 mol 16 unq 0 iso 0 dist 9.15471 8.59049 9.30655 10.2869 13.7516 8.47315 5.70228 10.3488 4.7319 5.59769 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 7.77128 9.70415 16.1373 14.0458 21.5858 9.62468 5.46309 12.841 6.65721 10.7369 numMergedOcc 0
7 mol 61 unq 1 iso 0 dist 7.77128 9.70415 16.1373 14.0458 21.5858 9.62468 11.9897 18.5951 6.72123 11.5608 numMergedOcc 0
8 mol 61 unq 2 iso 0 dist 7.77128 9.70415 16.1373 6.47853 13.6568 5.92705 5.46309 12.841 6.65721 5.4671 numMergedOcc 0
9 mol 61 unq 3 iso 0 dist 7.77128 9.70415 16.1373 6.47853 13.6568 5.92705 11.9897 18.5951 6.72123 10.1513 numMergedOcc 0
10 mol 125 unq 0 iso 0 dist 8.48363 6.03557 6.10523 7.09758 14.0775 8.84867 5.14495 12.6769 8.62381 5.41246 numMergedOcc 0
11 mol 126 unq 0 iso 0 dist 9.63161 6.24392 4.7848 5.28929 12.6879 9.06961 5.50061 10.2273 6.06638 9.07346 numMergedOcc 0
12 mol 224 unq 0 iso 0 dist 8.18749 9.73411 11.2298 13.9782 17.2837 9.33771 14.1073 18.8009 8.95269 5.41021 numMergedOcc 0
13 mol 224 unq 1 iso 0 dist 8.18749 9.73411 11.2298 13.9782 17.2837 9.33771 9.81806 14.526 6.57273 4.91322 numMergedOcc 0
14 mol 224 unq 2 iso 0 dist 8.18749 9.73411 11.2298 13.9782 17.2837 9.33771 5.99647 10.0508 5.78342 12.979 numMergedOcc 0
15 mol 229 unq 0 iso 0 dist 6.86281 8.8557 11.8327 9.61847 14.1501 9.84492 5.65373 11.2048 8.22528 11.9226 numMergedOcc 0
16 mol 230 unq 0 iso 0 dist 9.32781 5.62804 9.33469 5.24985 14.105 8.49299 6.33989 10.0551 6.7547 6.9602 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 7.75366 7.64276 10.313 12.2489 11.9776 5.24313 7.45873 14.2408 7.31233 12.1448 numMergedOcc 0
18 mol 274 unq 0 iso 0 dist 9.11322 8.30175 4.54436 5.44831 7.32898 7.80446 5.55557 11.5357 9.10818 6.57235 numMergedOcc 0
19 mol 274 unq 1 iso 0 dist 9.11322 8.30175 4.54436 9.91966 13.5872 9.91395 5.55557 11.5357 9.10818 4.97216 numMergedOcc 0
