0 mol 76 unq 0 iso 0 dist 8.77218 14.6511 9.85905 22.3892 15.4159 9.59729 numMergedOcc 0
1 mol 76 unq 1 iso 0 dist 7.46657 6.38237 6.72869 6.55112 5.31985 9.59729 numMergedOcc 0
2 mol 89 unq 0 iso 0 dist 9.6629 11.9796 7.47974 13.0483 10.4274 8.05579 numMergedOcc 0
3 mol 95 unq 0 iso 0 dist 9.64673 10.6733 9.3948 10.0162 13.086 8.75345 numMergedOcc 0
4 mol 105 unq 0 iso 0 dist 8.67414 6.79366 7.94633 14.426 8.50101 9.17843 numMergedOcc 0
5 mol 105 unq 1 iso 0 dist 9.94398 4.59356 9.16718 9.15226 4.4598 9.17843 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 9.41191 9.45977 7.07971 14.206 5.00433 9.09348 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 7.9258 6.27754 6.24825 12.5457 6.63111 7.65564 numMergedOcc 0
8 mol 127 unq 0 iso 0 dist 9.89053 4.0787 7.79505 12.6997 7.58649 9.97028 numMergedOcc 0
9 mol 127 unq 1 iso 0 dist 9.76046 3.70396 7.36199 12.1413 7.60948 9.97028 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 8.59695 11.7456 5.58833 13.9579 6.16616 8.25397 numMergedOcc 0
11 mol 129 unq 1 iso 0 dist 6.42706 7.04681 5.58833 11.2637 6.16616 8.25397 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 9.16358 7.07082 7.21868 14.33 7.41373 8.62504 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 6.48328 7.07082 7.93372 14.33 10.8635 8.62504 numMergedOcc 0
14 mol 162 unq 0 iso 0 dist 7.69229 6.69138 7.37333 9.65468 5.65603 9.43904 numMergedOcc 0
15 mol 162 unq 1 iso 0 dist 7.69229 6.82744 7.45998 9.65468 5.65603 7.01095 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 9.4775 6.27015 5.05973 15.0697 10.0773 9.92831 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 4.71906 3.97523 5.05973 12.7743 10.0773 9.92831 numMergedOcc 0
18 mol 197 unq 0 iso 0 dist 8.67786 6.57766 9.10817 11.2587 9.61454 6.69042 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 6.94789 6.16492 6.49765 11.034 8.97813 5.03818 numMergedOcc 0
20 mol 205 unq 1 iso 0 dist 6.23932 9.99561 6.49765 9.79826 8.97813 5.03818 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 9.92165 14.5969 7.46481 22.049 16.8346 9.43017 numMergedOcc 0
22 mol 217 unq 0 iso 0 dist 6.23025 4.76575 7.60269 8.99484 4.64118 9.37602 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 8.27093 5.92282 5.23634 9.34023 4.664 8.85955 numMergedOcc 0
24 mol 227 unq 1 iso 0 dist 8.27093 5.92282 5.23634 5.77762 4.1511 6.09335 numMergedOcc 0
25 mol 227 unq 2 iso 0 dist 9.02226 5.92282 6.91318 9.34023 8.49509 8.85955 numMergedOcc 0
26 mol 227 unq 3 iso 0 dist 9.02226 5.92282 6.91318 5.77762 4.69247 6.09335 numMergedOcc 0
27 mol 264 unq 0 iso 0 dist 8.91251 4.77242 5.90058 12.9073 12.6872 9.78237 numMergedOcc 0
28 mol 264 unq 1 iso 0 dist 8.91251 4.77242 5.90058 11.6354 9.63145 9.70101 numMergedOcc 0
29 mol 264 unq 2 iso 0 dist 8.91251 4.77242 5.90058 11.3594 12.9337 9.95798 numMergedOcc 0
30 mol 277 unq 0 iso 0 dist 4.81916 13.1828 8.9682 6.42951 3.97543 7.16209 numMergedOcc 0
31 mol 277 unq 1 iso 0 dist 4.81916 10.6994 6.92711 6.42951 3.97543 4.62936 numMergedOcc 0
