0 mol 7 unq 0 iso 0 dist 9.02286 14.1047 6.44736 19.2577 12.2869 9.60499 18.4406 9.97009 8.43473 6.02702 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.00738 11.2749 8.6653 10.5677 5.82503 6.03987 14.1124 12.0452 5.68392 6.85556 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.00738 4.96681 7.92503 9.22151 6.11127 7.57578 6.63966 11.4912 6.08585 8.50222 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 8.00738 4.96681 7.92503 6.22122 5.30154 7.17969 6.63966 11.4912 6.08585 7.55264 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 9.86224 16.5113 6.85556 14.6002 5.68392 6.03987 21.9003 12.0452 5.82503 8.6653 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 9.20373 15.0205 6.14538 10.042 4.29856 6.83299 10.6382 10.7227 13.86 7.21717 numMergedOcc 0
6 mol 54 unq 1 iso 0 dist 8.60653 5.65405 7.21717 10.5929 13.86 6.83299 5.01159 10.7227 4.29856 6.14538 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 8.48678 13.9683 6.7117 15.44 7.06961 5.08437 14.016 6.88901 4.4057 6.65501 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 8.48678 11.0642 4.47349 15.44 7.06961 6.10456 14.016 6.88901 9.67482 6.65501 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 7.1754 11.0907 7.10378 14.768 10.6848 7.17106 9.82137 9.5057 8.4128 7.01812 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 9.21645 11.6494 8.00003 16.8793 10.4376 6.18601 15.7562 13.0074 5.13589 6.73586 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 5.43662 5.29825 8.70296 12.0117 14.2045 6.85062 18.1769 18.6956 13.7237 9.90168 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 6.10069 9.92385 9.47433 15.4121 11.9952 7.44554 13.5575 14.1424 5.71511 9.4013 numMergedOcc 0
13 mol 156 unq 1 iso 0 dist 6.40435 11.0374 9.44367 10.2339 5.4555 7.44554 6.47073 8.37434 5.71511 9.4013 numMergedOcc 0
14 mol 156 unq 2 iso 0 dist 6.40435 9.75709 7.90267 10.2339 5.4555 8.94056 6.47073 8.37434 6.13574 9.4013 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 9.99409 5.114 8.90963 8.90247 8.91338 9.1374 6.56225 12.1629 6.6251 6.2479 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 9.99409 5.114 8.90963 10.3907 9.81073 5.98885 8.4916 10.515 5.6044 9.72611 numMergedOcc 0
17 mol 181 unq 2 iso 0 dist 9.99409 5.114 8.90963 10.3907 9.81073 5.98885 6.56225 12.1629 6.6251 7.99195 numMergedOcc 0
18 mol 181 unq 3 iso 0 dist 8.50938 5.32859 6.46704 11.0615 4.43096 8.03334 12.7855 7.32087 7.81713 6.2479 numMergedOcc 0
19 mol 181 unq 4 iso 0 dist 5.25309 7.07865 5.94469 9.79901 7.77758 7.81386 10.5245 11.8933 7.20191 9.39829 numMergedOcc 0
20 mol 181 unq 5 iso 0 dist 5.25309 7.07865 5.94469 13.7928 12.5387 7.63312 12.6646 10.3104 5.63555 5.9176 numMergedOcc 0
21 mol 181 unq 6 iso 0 dist 5.25309 7.07865 5.94469 13.7928 12.5387 7.63312 10.5245 11.8933 7.20191 6.41453 numMergedOcc 0
22 mol 204 unq 0 iso 0 dist 6.62013 7.24163 7.32294 11.513 5.86489 8.51516 10.9314 10.2072 10.8573 9.68728 numMergedOcc 0
