0 mol 16 unq 0 iso 0 dist 5.59641 5.28404 8.47315 6.32791 5.59769 4.7319 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 9.90537 12.2366 6.59893 7.89001 11.9881 9.5589 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 9.90537 12.2366 6.59893 10.1199 10.3564 6.83299 numMergedOcc 0
3 mol 54 unq 2 iso 0 dist 9.90537 12.2366 6.59893 19.498 12.4254 8.10861 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 9.19647 10.5573 5.92705 10.9015 5.4671 6.65721 numMergedOcc 0
5 mol 61 unq 1 iso 0 dist 9.19647 10.5573 5.92705 15.5265 10.1513 6.72123 numMergedOcc 0
6 mol 101 unq 0 iso 0 dist 5.58941 5.81947 8.77773 7.42893 5.16122 6.57035 numMergedOcc 0
7 mol 102 unq 0 iso 0 dist 6.00241 13.0204 9.01767 12.0425 6.42572 7.36792 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 8.41492 13.2932 8.21889 11.0717 5.5332 7.34473 numMergedOcc 0
9 mol 109 unq 1 iso 0 dist 8.41492 9.64513 9.74643 11.0717 5.5332 8.58044 numMergedOcc 0
10 mol 109 unq 2 iso 0 dist 8.41492 6.4683 6.86702 11.0717 5.5332 9.97763 numMergedOcc 0
11 mol 117 unq 0 iso 0 dist 5.98822 7.16387 7.70533 11.8669 6.29427 9.84395 numMergedOcc 0
12 mol 117 unq 1 iso 0 dist 5.98822 7.16387 7.70533 14.9774 14.3476 7.90328 numMergedOcc 0
13 mol 127 unq 0 iso 0 dist 6.00571 13.0804 8.40046 10.5533 9.75166 9.30299 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 9.63478 4.28997 9.4473 11.7225 15.4455 8.22656 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 9.63478 4.28997 9.4473 9.45717 11.1611 6.82262 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 8.41938 10.6678 9.74498 13.4825 10.7816 8.67331 numMergedOcc 0
17 mol 152 unq 1 iso 0 dist 8.41938 10.6678 9.74498 13.1115 7.26476 8.05741 numMergedOcc 0
18 mol 152 unq 2 iso 0 dist 6.53428 5.29694 8.89982 13.2594 13.2491 8.56324 numMergedOcc 0
19 mol 234 unq 0 iso 0 dist 6.05991 6.48163 5.89084 10.0573 4.74041 6.56247 numMergedOcc 0
20 mol 234 unq 1 iso 0 dist 6.05991 6.48163 5.89084 11.5446 6.16697 9.45496 numMergedOcc 0
21 mol 234 unq 2 iso 0 dist 6.05991 10.6392 8.47009 10.0573 4.74041 9.36357 numMergedOcc 0
22 mol 234 unq 3 iso 0 dist 6.05991 10.6392 8.47009 11.5446 6.16697 6.7625 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 5.50501 5.81354 8.77254 6.67907 5.74377 8.04248 numMergedOcc 0
24 mol 236 unq 1 iso 0 dist 5.50501 5.81354 8.77254 6.0087 10.054 8.35971 numMergedOcc 0
25 mol 252 unq 0 iso 0 dist 9.19372 11.7432 9.73021 18.4751 16.5881 8.33025 numMergedOcc 0
26 mol 252 unq 1 iso 0 dist 9.19372 11.7432 9.73021 18.4879 12.5855 9.2288 numMergedOcc 0
27 mol 252 unq 2 iso 0 dist 9.19372 11.7432 9.73021 11.0373 5.26867 7.19638 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 8.94629 6.30874 5.81927 11.83 9.49027 6.97229 numMergedOcc 0
