0 mol 7 unq 0 iso 0 dist 6.8464 4.65291 5.99459 12.8922 12.2041 9.67164 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 5.68648 7.38068 6.56356 15.1676 10.9495 9.01112 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 5.68648 7.38068 6.56356 12.2649 8.09332 7.62333 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 9.30471 3.83262 6.42835 10.3488 10.2656 7.65889 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 9.30471 5.7598 6.57331 12.8949 6.92781 8.43054 numMergedOcc 0
5 mol 60 unq 0 iso 0 dist 7.7654 4.70443 7.48086 10.8421 6.54743 7.57295 numMergedOcc 0
6 mol 60 unq 1 iso 0 dist 7.7654 4.70443 7.48086 10.7186 5.00018 8.4312 numMergedOcc 0
7 mol 60 unq 2 iso 0 dist 7.15352 10.7546 7.57295 11.7612 5.67502 8.4312 numMergedOcc 0
8 mol 60 unq 3 iso 0 dist 7.15352 10.7546 7.57295 13.4319 6.54743 7.48086 numMergedOcc 0
9 mol 68 unq 0 iso 0 dist 7.89424 3.89663 7.39665 10.8795 14.224 9.8703 numMergedOcc 0
10 mol 68 unq 1 iso 0 dist 9.40333 12.6908 9.8703 19.6895 14.224 7.39665 numMergedOcc 0
11 mol 69 unq 0 iso 0 dist 7.25721 3.77519 5.99857 10.6812 8.99811 6.9362 numMergedOcc 0
12 mol 72 unq 0 iso 0 dist 8.4143 6.53445 6.21799 11.2707 7.04035 9.74228 numMergedOcc 0
13 mol 72 unq 1 iso 0 dist 8.4143 6.53445 6.21799 8.21743 8.24309 7.12321 numMergedOcc 0
14 mol 72 unq 2 iso 0 dist 8.4143 6.27856 5.03251 9.58834 5.8486 9.56773 numMergedOcc 0
15 mol 72 unq 3 iso 0 dist 9.58834 6.27856 9.56773 8.4143 5.8486 5.03251 numMergedOcc 0
16 mol 76 unq 0 iso 0 dist 8.77218 14.6511 9.85905 17.8565 10.2879 6.72869 numMergedOcc 0
17 mol 76 unq 1 iso 0 dist 7.46657 6.38237 6.72869 14.209 10.2879 9.85905 numMergedOcc 0
18 mol 89 unq 0 iso 0 dist 9.6629 11.9796 7.47974 17.8584 9.1532 8.40422 numMergedOcc 0
19 mol 89 unq 1 iso 0 dist 9.6629 11.9796 7.47974 13.7738 4.8812 8.40425 numMergedOcc 0
20 mol 89 unq 2 iso 0 dist 9.6629 11.9796 7.47974 15.9413 10.4087 5.51831 numMergedOcc 0
21 mol 89 unq 3 iso 0 dist 9.6629 11.9796 7.47974 17.2447 10.8948 9.65149 numMergedOcc 0
22 mol 105 unq 0 iso 0 dist 8.67414 6.79366 7.94633 12.4271 5.68291 9.16718 numMergedOcc 0
23 mol 105 unq 1 iso 0 dist 9.94398 4.59356 9.16718 11.104 5.68291 7.94633 numMergedOcc 0
24 mol 127 unq 0 iso 0 dist 9.89053 4.0787 7.79505 11.2729 6.55997 7.36199 numMergedOcc 0
25 mol 127 unq 1 iso 0 dist 9.76046 3.70396 7.36199 11.4256 6.55997 7.79505 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 9.16358 7.07082 7.21868 14.1509 5.62899 9.66543 numMergedOcc 0
27 mol 134 unq 1 iso 0 dist 9.16358 7.07082 7.21868 6.48328 5.49782 7.93372 numMergedOcc 0
28 mol 134 unq 2 iso 0 dist 6.48328 7.07082 7.93372 14.1509 10.7144 9.66543 numMergedOcc 0
29 mol 134 unq 3 iso 0 dist 6.48328 7.07082 7.93372 9.16358 5.49782 7.21868 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 9.4775 6.27015 5.05973 13.7975 11.5866 9.01624 numMergedOcc 0
31 mol 181 unq 1 iso 0 dist 4.71906 3.97523 5.05973 12.8027 11.5866 9.01624 numMergedOcc 0
32 mol 197 unq 0 iso 0 dist 8.67786 6.57766 9.10817 10.1566 5.43601 6.86828 numMergedOcc 0
33 mol 227 unq 0 iso 0 dist 8.27093 5.92282 5.23634 9.02226 5.22356 6.91318 numMergedOcc 0
34 mol 227 unq 1 iso 0 dist 9.02226 5.92282 6.91318 8.27093 5.22356 5.23634 numMergedOcc 0
35 mol 264 unq 0 iso 0 dist 8.91251 4.77242 5.90058 9.77155 7.07277 5.90924 numMergedOcc 0
36 mol 264 unq 1 iso 0 dist 8.91251 4.77242 5.90058 10.1365 14.3597 9.58916 numMergedOcc 0
37 mol 267 unq 0 iso 0 dist 9.44648 14.5438 8.8293 13.3658 5.91646 7.34981 numMergedOcc 0
38 mol 277 unq 0 iso 0 dist 4.81916 13.1828 8.9682 14.8509 11.8268 9.57499 numMergedOcc 0
39 mol 277 unq 1 iso 0 dist 4.81916 13.1828 8.9682 9.92831 7.08227 5.46926 numMergedOcc 0
40 mol 277 unq 2 iso 0 dist 4.81916 10.6994 6.92711 9.92831 7.08227 5.13913 numMergedOcc 0
41 mol 280 unq 0 iso 0 dist 5.41639 4.06908 6.02353 7.96485 5.51836 6.86234 numMergedOcc 0
42 mol 280 unq 1 iso 0 dist 7.96485 4.06908 6.86234 5.41639 5.51836 6.02353 numMergedOcc 0
