0 mol 24 unq 0 iso 0 dist 9.7649 16.5248 7.85986 10.5243 8.25818 9.63925 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.5268 13.7733 7.85986 10.2093 8.25818 9.63925 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 6.35997 4.38622 7.37118 6.66835 4.75881 8.00615 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 6.77802 4.31769 8.40186 3.42062 9.05737 7.06935 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 9.07283 7.16993 9.42099 5.7037 9.05737 3.85506 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 6.29267 6.0425 6.2576 6.02092 4.15789 4.37918 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 6.29267 11.8739 8.96069 6.02092 4.15789 9.08423 numMergedOcc 0
7 mol 79 unq 2 iso 0 dist 6.29267 11.9735 7.56495 6.02092 4.15789 6.29733 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 6.56288 14.0998 9.13593 7.14242 6.67137 13.6534 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 6.56288 14.0998 9.13593 15.2173 9.78707 3.93938 numMergedOcc 0
10 mol 85 unq 2 iso 0 dist 5.97559 14.0998 8.25144 9.52671 7.07839 9.66391 numMergedOcc 0
11 mol 85 unq 3 iso 0 dist 5.97559 14.0998 8.25144 5.86553 9.09711 15.6454 numMergedOcc 0
12 mol 85 unq 4 iso 0 dist 5.97559 14.0998 8.25144 7.14242 7.04244 13.6534 numMergedOcc 0
13 mol 85 unq 5 iso 0 dist 5.97559 14.0998 8.25144 15.2173 9.63449 3.93938 numMergedOcc 0
14 mol 85 unq 6 iso 0 dist 5.97559 14.0998 8.25144 8.62855 7.91193 11.6517 numMergedOcc 0
15 mol 85 unq 7 iso 0 dist 8.15861 4.32784 8.04853 3.81285 6.67137 5.22259 numMergedOcc 0
16 mol 85 unq 8 iso 0 dist 8.15861 4.32784 8.04853 6.17121 7.04244 7.66499 numMergedOcc 0
17 mol 93 unq 0 iso 0 dist 8.92653 6.87756 5.56839 8.70619 5.20429 5.01255 numMergedOcc 0
18 mol 93 unq 1 iso 0 dist 8.92653 6.87756 5.56839 3.89959 8.71366 9.11323 numMergedOcc 0
19 mol 93 unq 2 iso 0 dist 8.92653 5.82092 7.83506 8.70619 5.20429 8.98901 numMergedOcc 0
20 mol 93 unq 3 iso 0 dist 8.92653 5.82092 7.83506 3.89959 8.71366 8.52329 numMergedOcc 0
21 mol 109 unq 0 iso 0 dist 9.46616 4.49443 5.54226 3.79265 9.51764 5.5693 numMergedOcc 0
22 mol 109 unq 1 iso 0 dist 9.46616 4.49443 5.54226 13.1376 9.29327 11.1265 numMergedOcc 0
23 mol 111 unq 0 iso 0 dist 6.33923 12.6461 9.72371 3.83194 4.91212 8.83426 numMergedOcc 0
24 mol 111 unq 1 iso 0 dist 6.33923 12.6461 9.72371 5.56913 9.34782 16.815 numMergedOcc 0
25 mol 141 unq 0 iso 0 dist 8.14978 12.0582 9.59109 9.809 4.88514 13.8739 numMergedOcc 0
26 mol 141 unq 1 iso 0 dist 7.53591 7.84926 9.62774 4.40012 5.60448 5.16197 numMergedOcc 0
27 mol 141 unq 2 iso 0 dist 8.34503 6.13227 9.62774 3.48408 5.60448 5.16197 numMergedOcc 0
28 mol 213 unq 0 iso 0 dist 5.90026 6.51731 9.34602 5.16198 7.93317 11.5458 numMergedOcc 0
29 mol 213 unq 1 iso 0 dist 8.86496 4.40169 9.34602 10.4575 7.93317 11.5458 numMergedOcc 0
30 mol 281 unq 0 iso 0 dist 9.05453 14.815 6.18742 16.2801 7.90368 3.78169 numMergedOcc 0
31 mol 281 unq 1 iso 0 dist 9.05453 14.815 6.18742 9.81081 6.69267 11.7772 numMergedOcc 0
32 mol 284 unq 0 iso 0 dist 5.2862 9.28495 7.74874 5.88619 5.6964 3.57807 numMergedOcc 0
33 mol 284 unq 1 iso 0 dist 5.31097 7.85427 7.74874 4.57529 5.6964 3.57807 numMergedOcc 0
34 mol 287 unq 0 iso 0 dist 8.4625 13.0927 9.25759 11.4589 4.68668 5.39801 numMergedOcc 0
35 mol 287 unq 1 iso 0 dist 9.14217 6.88096 8.58427 9.84883 4.68668 9.88575 numMergedOcc 0
36 mol 288 unq 0 iso 0 dist 8.4625 13.0927 9.25759 11.4589 4.68668 5.39801 numMergedOcc 0
37 mol 288 unq 1 iso 0 dist 9.14217 6.88096 8.58427 9.84883 4.68668 9.88575 numMergedOcc 0
38 mol 289 unq 0 iso 0 dist 8.4625 13.0927 9.25759 11.4589 4.68668 5.39801 numMergedOcc 0
39 mol 289 unq 1 iso 0 dist 9.14217 6.88096 8.58427 9.84883 4.68668 9.88575 numMergedOcc 0
