0 mol 24 unq 0 iso 0 dist 9.67696 11.9066 9.69752 11.3578 4.32034 6.60423 13.8988 5.90981 8.62284 5.39241 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.67696 11.9066 9.69752 16.7907 9.6469 7.83786 13.8988 5.90981 8.62284 4.51549 numMergedOcc 0
2 mol 93 unq 0 iso 0 dist 7.29701 3.74136 7.62611 10.4641 4.4022 9.81831 5.77804 6.957 7.85041 8.58164 numMergedOcc 0
3 mol 93 unq 1 iso 0 dist 7.29701 3.74136 7.62611 11.1217 8.96224 9.12858 5.77804 6.957 7.85041 9.67788 numMergedOcc 0
4 mol 93 unq 2 iso 0 dist 7.29701 3.74136 7.62611 9.10877 10.3849 9.4523 5.77804 6.957 7.85041 5.33106 numMergedOcc 0
5 mol 120 unq 0 iso 0 dist 8.19198 5.25155 6.03352 13.8792 8.2619 8.93905 10.8453 4.51697 8.43028 8.94259 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 8.65287 4.91324 6.95405 13.0881 6.75397 9.28592 11.327 11.562 6.82089 10.3933 numMergedOcc 0
7 mol 130 unq 1 iso 0 dist 8.65287 4.91324 6.95405 13.0881 6.75397 9.28592 9.02079 7.20197 5.38314 9.16988 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 8.9967 14.2635 8.50562 18.2462 9.60968 9.15431 18.8365 12.6448 9.39683 7.71288 numMergedOcc 0
9 mol 131 unq 1 iso 0 dist 8.9967 14.2635 8.50562 13.952 8.23791 6.92648 18.8365 12.6448 9.39683 4.89973 numMergedOcc 0
10 mol 131 unq 2 iso 0 dist 8.9967 14.2635 8.50562 16.6923 13.7237 9.29384 18.8365 12.6448 9.39683 7.00551 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 6.6094 5.78019 7.25644 10.823 11.1681 5.49226 7.9061 10.7872 5.1101 5.08802 numMergedOcc 0
12 mol 147 unq 1 iso 0 dist 6.6094 5.78019 7.25644 10.823 11.1681 5.49226 4.48898 7.66774 7.01133 10.1972 numMergedOcc 0
13 mol 147 unq 2 iso 0 dist 6.6094 5.78019 7.25644 9.23551 5.50251 6.28351 7.9061 10.7872 5.1101 8.59354 numMergedOcc 0
14 mol 147 unq 3 iso 0 dist 6.6094 5.78019 7.25644 9.23551 5.50251 6.28351 4.48898 7.66774 7.01133 8.54341 numMergedOcc 0
15 mol 147 unq 4 iso 0 dist 9.70579 7.70253 7.25644 11.5623 11.1681 5.49226 12.5646 10.7872 5.1101 5.08802 numMergedOcc 0
16 mol 147 unq 5 iso 0 dist 9.70579 7.70253 7.25644 11.5623 11.1681 5.49226 13.2872 7.66774 7.01133 10.1972 numMergedOcc 0
17 mol 147 unq 6 iso 0 dist 9.70579 7.70253 7.25644 11.0807 5.50251 6.28351 12.5646 10.7872 5.1101 8.59354 numMergedOcc 0
18 mol 147 unq 7 iso 0 dist 9.70579 7.70253 7.25644 11.0807 5.50251 6.28351 13.2872 7.66774 7.01133 8.54341 numMergedOcc 0
19 mol 147 unq 8 iso 0 dist 8.514 9.29701 7.25644 14.7633 11.1681 5.49226 12.4034 10.7872 5.1101 5.08802 numMergedOcc 0
20 mol 147 unq 9 iso 0 dist 8.514 9.29701 7.25644 14.7633 11.1681 5.49226 9.03672 7.66774 7.01133 10.1972 numMergedOcc 0
21 mol 147 unq 10 iso 0 dist 8.514 9.29701 7.25644 12.6921 5.50251 6.28351 12.4034 10.7872 5.1101 8.59354 numMergedOcc 0
22 mol 147 unq 11 iso 0 dist 8.514 9.29701 7.25644 12.6921 5.50251 6.28351 9.03672 7.66774 7.01133 8.54341 numMergedOcc 0
23 mol 175 unq 0 iso 0 dist 8.70622 11.1891 5.60528 13.9833 6.77832 7.35824 7.06919 4.57622 7.01126 11.1651 numMergedOcc 0
24 mol 175 unq 1 iso 0 dist 8.70622 5.28649 5.5995 13.9833 6.77832 9.17364 7.06919 4.57622 6.58434 11.1651 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 5.87853 4.41466 7.11785 7.15963 5.6044 6.51749 10.4914 9.87435 7.345 5.4601 numMergedOcc 0
26 mol 181 unq 1 iso 0 dist 5.87853 4.41466 7.11785 7.15963 5.6044 6.51749 12.7342 14.6648 9.52987 10.0524 numMergedOcc 0
27 mol 181 unq 2 iso 0 dist 5.87853 4.41466 7.11785 11.5431 12.9468 7.20392 10.4914 9.87435 7.345 6.14208 numMergedOcc 0
28 mol 181 unq 3 iso 0 dist 5.87853 4.41466 7.11785 11.5431 12.9468 7.20392 12.7342 14.6648 9.52987 5.95965 numMergedOcc 0
29 mol 186 unq 0 iso 0 dist 7.77211 7.74227 7.02575 17.566 14.4429 9.83476 10.8278 5.34643 7.94153 13.1933 numMergedOcc 0
30 mol 225 unq 0 iso 0 dist 8.00354 9.53753 8.20162 13.1899 7.17211 6.6561 7.21089 6.16433 5.13453 8.69249 numMergedOcc 0
31 mol 239 unq 0 iso 0 dist 9.61914 5.79235 5.0804 12.7988 5.05321 8.67805 10.6914 5.2908 7.18771 10.0774 numMergedOcc 0
32 mol 239 unq 1 iso 0 dist 9.61914 5.79235 5.0804 12.7988 5.05321 8.67805 9.2456 5.91881 7.94894 9.8202 numMergedOcc 0
33 mol 264 unq 0 iso 0 dist 8.68638 5.50333 7.21655 10.5026 6.26382 6.04162 10.7464 10.6815 9.42738 8.16326 numMergedOcc 0
34 mol 264 unq 1 iso 0 dist 8.68638 5.50333 7.21655 10.25 5.24812 6.14323 10.7464 10.6815 9.42738 12.3807 numMergedOcc 0
35 mol 277 unq 0 iso 0 dist 9.7625 7.05559 7.85414 11.1337 6.28695 6.57903 10.4665 6.56697 7.25677 9.92201 numMergedOcc 0
36 mol 277 unq 1 iso 0 dist 9.7625 7.05559 7.85414 13.6164 4.39413 9.65707 10.4665 6.56697 7.25677 7.29899 numMergedOcc 0
