0 mol 21 unq 0 iso 0 dist 4.82549 7.19909 8.5005 7.9574 6.93185 9.81757 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 4.89196 9.29223 9.27478 5.40878 6.04903 10.029 numMergedOcc 0
2 mol 62 unq 1 iso 0 dist 4.89196 6.49202 6.38768 5.40878 6.04903 9.53337 numMergedOcc 0
3 mol 62 unq 2 iso 0 dist 4.89196 5.15413 6.31321 5.40878 6.04903 6.71999 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.07918 6.26178 9.03785 10.6525 6.05495 6.64001 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 9.07918 9.17261 8.97148 10.6525 6.05495 4.58085 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 9.9443 15.9496 8.72187 10.516 7.09065 13.2428 numMergedOcc 0
7 mol 100 unq 1 iso 0 dist 9.9443 9.00751 6.57181 10.516 7.09065 4.50298 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 5.43229 7.21042 9.79579 11.6661 7.70313 11.2619 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 4.95674 10.6932 7.26577 5.5502 7.41399 13.4021 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 4.95674 10.6932 7.26577 5.05981 8.21165 15.0869 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 4.95674 10.6932 7.26577 6.85825 8.97945 10.1259 numMergedOcc 0
12 mol 133 unq 3 iso 0 dist 4.95674 10.6932 7.26577 11.4632 9.50664 3.76218 numMergedOcc 0
13 mol 133 unq 4 iso 0 dist 4.95674 10.6932 7.26577 8.24649 6.71555 5.51374 numMergedOcc 0
14 mol 133 unq 5 iso 0 dist 7.17226 6.9671 7.26577 9.91819 7.41399 13.4021 numMergedOcc 0
15 mol 133 unq 6 iso 0 dist 7.17226 6.9671 7.26577 13.1776 8.21165 15.0869 numMergedOcc 0
16 mol 133 unq 7 iso 0 dist 7.17226 6.9671 7.26577 10.319 8.97945 10.1259 numMergedOcc 0
17 mol 133 unq 8 iso 0 dist 7.17226 6.9671 7.26577 9.4826 9.50664 3.76218 numMergedOcc 0
18 mol 133 unq 9 iso 0 dist 7.17226 6.9671 7.26577 5.16948 6.71555 5.51374 numMergedOcc 0
19 mol 159 unq 0 iso 0 dist 8.82505 5.53398 8.84829 4.69616 5.9032 5.36609 numMergedOcc 0
20 mol 235 unq 0 iso 0 dist 6.43838 13.5465 7.65432 11.539 6.54825 3.81221 numMergedOcc 0
21 mol 264 unq 0 iso 0 dist 5.50677 6.75784 7.26094 10.3381 5.91213 10.7977 numMergedOcc 0
22 mol 280 unq 0 iso 0 dist 6.78323 7.30732 7.06977 5.51019 5.80452 3.84243 numMergedOcc 0
