0 mol 76 unq 0 iso 0 dist 8.77218 14.6511 9.85905 17.8565 10.2879 6.72869 22.3892 15.4159 9.59729 5.31985 numMergedOcc 0
1 mol 76 unq 1 iso 0 dist 7.46657 6.38237 6.72869 14.209 10.2879 9.85905 6.55112 5.31985 9.59729 15.4159 numMergedOcc 0
2 mol 89 unq 0 iso 0 dist 9.6629 11.9796 7.47974 17.8584 9.1532 8.40422 13.0483 10.4274 8.05579 10.6632 numMergedOcc 0
3 mol 89 unq 1 iso 0 dist 9.6629 11.9796 7.47974 13.7738 4.8812 8.40425 13.0483 10.4274 8.05579 9.32983 numMergedOcc 0
4 mol 89 unq 2 iso 0 dist 9.6629 11.9796 7.47974 15.9413 10.4087 5.51831 13.0483 10.4274 8.05579 6.13636 numMergedOcc 0
5 mol 89 unq 3 iso 0 dist 9.6629 11.9796 7.47974 17.2447 10.8948 9.65149 13.0483 10.4274 8.05579 6.14929 numMergedOcc 0
6 mol 105 unq 0 iso 0 dist 8.67414 6.79366 7.94633 12.4271 5.68291 9.16718 14.426 8.50101 9.17843 4.4598 numMergedOcc 0
7 mol 105 unq 1 iso 0 dist 9.94398 4.59356 9.16718 11.104 5.68291 7.94633 9.15226 4.4598 9.17843 8.50101 numMergedOcc 0
8 mol 127 unq 0 iso 0 dist 9.89053 4.0787 7.79505 11.2729 6.55997 7.36199 12.6997 7.58649 9.97028 7.60948 numMergedOcc 0
9 mol 127 unq 1 iso 0 dist 9.76046 3.70396 7.36199 11.4256 6.55997 7.79505 12.1413 7.60948 9.97028 7.58649 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 9.16358 7.07082 7.21868 14.1509 5.62899 9.66543 14.33 7.41373 8.62504 4.46337 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 9.16358 7.07082 7.21868 6.48328 5.49782 7.93372 14.33 7.41373 8.62504 10.8635 numMergedOcc 0
12 mol 134 unq 2 iso 0 dist 6.48328 7.07082 7.93372 14.1509 10.7144 9.66543 14.33 10.8635 8.62504 4.46337 numMergedOcc 0
13 mol 134 unq 3 iso 0 dist 6.48328 7.07082 7.93372 9.16358 5.49782 7.21868 14.33 10.8635 8.62504 7.41373 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 9.4775 6.27015 5.05973 13.7975 11.5866 9.01624 15.0697 10.0773 9.92831 5.42158 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 4.71906 3.97523 5.05973 12.8027 11.5866 9.01624 12.7743 10.0773 9.92831 5.42158 numMergedOcc 0
16 mol 197 unq 0 iso 0 dist 8.67786 6.57766 9.10817 10.1566 5.43601 6.86828 11.2587 9.61454 6.69042 7.59871 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 8.27093 5.92282 5.23634 9.02226 5.22356 6.91318 9.34023 4.664 8.85955 8.49509 numMergedOcc 0
18 mol 227 unq 1 iso 0 dist 8.27093 5.92282 5.23634 9.02226 5.22356 6.91318 5.77762 4.1511 6.09335 4.69247 numMergedOcc 0
19 mol 227 unq 2 iso 0 dist 9.02226 5.92282 6.91318 8.27093 5.22356 5.23634 9.34023 8.49509 8.85955 4.664 numMergedOcc 0
20 mol 227 unq 3 iso 0 dist 9.02226 5.92282 6.91318 8.27093 5.22356 5.23634 5.77762 4.69247 6.09335 4.1511 numMergedOcc 0
21 mol 264 unq 0 iso 0 dist 8.91251 4.77242 5.90058 9.77155 7.07277 5.90924 12.9073 12.6872 9.78237 5.71153 numMergedOcc 0
22 mol 264 unq 1 iso 0 dist 8.91251 4.77242 5.90058 9.77155 7.07277 5.90924 11.6354 9.63145 9.70101 5.70542 numMergedOcc 0
23 mol 264 unq 2 iso 0 dist 8.91251 4.77242 5.90058 9.77155 7.07277 5.90924 11.3594 12.9337 9.95798 6.87635 numMergedOcc 0
24 mol 264 unq 3 iso 0 dist 8.91251 4.77242 5.90058 10.1365 14.3597 9.58916 12.9073 12.6872 9.78237 6.56539 numMergedOcc 0
25 mol 264 unq 4 iso 0 dist 8.91251 4.77242 5.90058 10.1365 14.3597 9.58916 11.6354 9.63145 9.70101 10.1301 numMergedOcc 0
26 mol 264 unq 5 iso 0 dist 8.91251 4.77242 5.90058 10.1365 14.3597 9.58916 11.3594 12.9337 9.95798 4.76241 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 4.81916 13.1828 8.9682 14.8509 11.8268 9.57499 6.42951 3.97543 7.16209 11.2997 numMergedOcc 0
28 mol 277 unq 1 iso 0 dist 4.81916 13.1828 8.9682 9.92831 7.08227 5.46926 6.42951 3.97543 7.16209 4.40029 numMergedOcc 0
29 mol 277 unq 2 iso 0 dist 4.81916 10.6994 6.92711 9.92831 7.08227 5.13913 6.42951 3.97543 4.62936 4.40029 numMergedOcc 0
