0 mol 7 unq 0 iso 0 dist 8.75465 8.00249 4.80709 5.8785 8.36111 5.99898 6.3236 6.1206 7.67927 5.77391 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.00249 8.75465 4.80709 5.8785 5.99898 8.36111 15.0884 14.1836 9.87885 17.4437 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.00249 8.75465 4.80709 5.8785 5.99898 8.36111 6.3236 7.67927 6.1206 5.77391 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 8.00249 8.75465 4.80709 5.71606 7.2834 10.7311 15.0884 14.1836 9.87885 18.4377 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 8.00249 8.75465 4.80709 5.71606 7.2834 10.7311 6.3236 7.67927 6.1206 10.3415 numMergedOcc 0
5 mol 21 unq 0 iso 0 dist 8.09082 7.5136 5.3862 11.1087 9.39923 13.7501 6.5268 9.84542 5.93898 16.6417 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 5.91797 6.37954 6.70343 9.64715 6.74197 12.3653 5.90686 9.81956 5.10496 13.9683 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 5.91797 6.37954 6.70343 9.64715 6.74197 12.3653 11.2946 10.8223 5.92242 17.3037 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 5.91797 6.37954 6.70343 9.64715 6.74197 12.3653 9.41666 7.54889 5.2571 11.0642 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 5.91797 6.37954 6.70343 9.64715 6.74197 12.3653 9.57791 7.78931 8.7497 7.71768 numMergedOcc 0
10 mol 184 unq 0 iso 0 dist 8.09403 8.33147 5.33725 9.23342 9.07247 10.424 4.59843 5.96423 8.97589 7.25468 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 9.00537 6.04336 7.15345 13.8548 7.12029 13.9003 4.70216 13.6831 9.3498 18.3375 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 9.00537 6.04336 7.15345 13.8548 7.12029 13.9003 6.13422 11.651 7.05695 17.7502 numMergedOcc 0
13 mol 207 unq 0 iso 0 dist 7.25953 9.05688 6.07936 11.2345 8.01415 8.25861 10.6526 10.4761 9.98372 4.4545 numMergedOcc 0
14 mol 207 unq 1 iso 0 dist 7.25953 9.05688 6.07936 11.2345 8.01415 8.25861 5.6688 5.12567 6.0563 5.62653 numMergedOcc 0
15 mol 207 unq 2 iso 0 dist 9.05688 7.25953 6.07936 11.3486 9.3 13.693 5.6688 6.0563 5.12567 9.87241 numMergedOcc 0
16 mol 207 unq 3 iso 0 dist 9.05688 7.25953 6.07936 11.2345 8.25861 8.01415 5.6688 6.0563 5.12567 5.62653 numMergedOcc 0
17 mol 217 unq 0 iso 0 dist 8.28155 9.41353 6.12994 5.68697 4.92885 6.72624 5.33123 9.70417 9.62437 4.92005 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 8.63804 8.61619 3.58181 10.0079 8.51427 11.6182 4.81906 5.56538 7.48954 5.60111 numMergedOcc 0
19 mol 229 unq 0 iso 0 dist 6.92268 9.90415 9.01727 5.75801 8.3932 10.3383 6.52416 10.3243 7.27993 5.65373 numMergedOcc 0
20 mol 229 unq 1 iso 0 dist 6.92268 9.90415 9.01727 5.75801 8.3932 10.3383 9.71486 14.4522 9.51168 10.5148 numMergedOcc 0
21 mol 229 unq 2 iso 0 dist 6.92268 9.90415 9.01727 5.75801 8.3932 10.3383 12.9522 14.8281 6.95201 11.9921 numMergedOcc 0
22 mol 243 unq 0 iso 0 dist 5.78671 6.56525 6.68192 5.85313 8.48003 10.4009 5.8297 10.5333 7.10671 7.95216 numMergedOcc 0
23 mol 243 unq 1 iso 0 dist 5.78671 5.46817 4.09189 5.85313 8.48003 5.54003 5.8297 10.5333 8.67156 7.95216 numMergedOcc 0
24 mol 243 unq 2 iso 0 dist 5.46817 6.56525 6.67199 5.85313 5.54003 10.4009 5.8297 8.67156 7.10671 7.95216 numMergedOcc 0
25 mol 274 unq 0 iso 0 dist 9.61255 7.64703 13.5848 5.67354 9.40401 13.1282 7.62102 9.30212 6.4611 11.1036 numMergedOcc 0
26 mol 274 unq 1 iso 0 dist 9.61255 7.64703 13.5848 7.47139 5.64169 13.5288 7.62102 9.30212 6.4611 11.5127 numMergedOcc 0
27 mol 279 unq 0 iso 0 dist 7.26637 9.88198 13.095 8.45752 8.76604 15.8219 10.7368 16.5279 6.35028 16.3688 numMergedOcc 0
