0 mol 17 unq 0 iso 0 dist 8.84341 9.83585 7.93342 7.77965 7.02884 10.7623 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.53735 5.03531 6.36636 15.2626 9.34599 11.0698 numMergedOcc 0
2 mol 53 unq 0 iso 0 dist 5.80996 7.77212 7.00648 6.00278 5.66861 10.8452 numMergedOcc 0
3 mol 53 unq 1 iso 0 dist 5.66861 9.72637 7.43661 6.00278 5.80996 12.5688 numMergedOcc 0
4 mol 123 unq 0 iso 0 dist 5.98187 8.09329 7.6938 3.65652 7.42186 6.13025 numMergedOcc 0
5 mol 123 unq 1 iso 0 dist 5.98187 8.09329 7.6938 6.84294 9.47346 14.0115 numMergedOcc 0
6 mol 123 unq 2 iso 0 dist 5.98187 5.80266 3.99394 3.65652 7.42186 6.78431 numMergedOcc 0
7 mol 123 unq 3 iso 0 dist 5.98187 5.80266 3.99394 6.84294 9.47346 6.60464 numMergedOcc 0
8 mol 123 unq 4 iso 0 dist 7.42186 5.18305 10.0612 3.65652 5.98187 8.39986 numMergedOcc 0
9 mol 123 unq 5 iso 0 dist 7.42186 5.18305 10.0612 8.81087 9.47346 11.0811 numMergedOcc 0
10 mol 123 unq 6 iso 0 dist 7.42186 6.13025 7.6938 3.65652 5.98187 8.09329 numMergedOcc 0
11 mol 123 unq 7 iso 0 dist 7.42186 6.13025 7.6938 8.81087 9.47346 14.0115 numMergedOcc 0
12 mol 123 unq 8 iso 0 dist 7.42186 6.78431 3.99394 3.65652 5.98187 5.80266 numMergedOcc 0
13 mol 123 unq 9 iso 0 dist 7.42186 6.78431 3.99394 8.81087 9.47346 6.60464 numMergedOcc 0
14 mol 123 unq 10 iso 0 dist 9.47346 6.60464 3.99394 6.84294 5.98187 5.80266 numMergedOcc 0
15 mol 123 unq 11 iso 0 dist 9.47346 6.60464 3.99394 8.81087 7.42186 6.78431 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 6.49728 5.35509 3.80763 15.437 9.45931 12.9811 numMergedOcc 0
17 mol 158 unq 0 iso 0 dist 9.58371 4.80508 11.8112 7.26245 7.13199 11.6369 numMergedOcc 0
18 mol 158 unq 1 iso 0 dist 9.58371 4.88625 10.454 7.26245 7.13199 11.1342 numMergedOcc 0
19 mol 184 unq 0 iso 0 dist 5.11863 9.15923 6.04545 6.72547 5.92785 6.03505 numMergedOcc 0
20 mol 184 unq 1 iso 0 dist 5.11863 7.79098 4.12242 6.72547 5.92785 6.30144 numMergedOcc 0
21 mol 184 unq 2 iso 0 dist 5.92785 6.03505 6.04545 6.72547 5.11863 9.15923 numMergedOcc 0
22 mol 184 unq 3 iso 0 dist 5.92785 6.30144 4.12242 6.72547 5.11863 7.79098 numMergedOcc 0
23 mol 214 unq 0 iso 0 dist 9.84034 9.71467 4.05067 6.40387 8.07237 6.03628 numMergedOcc 0
24 mol 214 unq 1 iso 0 dist 9.84034 9.71467 4.05067 15.9216 8.95218 12.4799 numMergedOcc 0
25 mol 214 unq 2 iso 0 dist 8.07237 6.03628 4.05067 6.40387 9.84034 9.71467 numMergedOcc 0
26 mol 214 unq 3 iso 0 dist 8.07237 6.03628 4.05067 14.8373 8.95218 12.4799 numMergedOcc 0
27 mol 214 unq 4 iso 0 dist 8.95218 9.22105 10.6198 15.9216 9.84034 20.3868 numMergedOcc 0
28 mol 214 unq 5 iso 0 dist 8.95218 9.22105 10.6198 14.8373 8.07237 17.8673 numMergedOcc 0
29 mol 253 unq 0 iso 0 dist 7.06589 8.86676 5.68255 11.7205 8.70383 14.0165 numMergedOcc 0
30 mol 256 unq 0 iso 0 dist 7.53508 7.212 4.26681 11.8501 8.95444 13.0404 numMergedOcc 0
31 mol 272 unq 0 iso 0 dist 5.9131 8.3872 6.85669 13.7606 8.16917 13.1269 numMergedOcc 0
32 mol 278 unq 0 iso 0 dist 8.60481 6.01365 10.5492 9.84223 9.58671 13.8888 numMergedOcc 0
33 mol 287 unq 0 iso 0 dist 5.62568 6.23874 5.9468 12.8716 8.82948 10.5202 numMergedOcc 0
34 mol 287 unq 1 iso 0 dist 5.62568 6.68956 3.63993 12.8716 8.82948 10.7429 numMergedOcc 0
35 mol 288 unq 0 iso 0 dist 5.62568 6.23874 5.9468 12.8716 8.82948 10.5202 numMergedOcc 0
36 mol 288 unq 1 iso 0 dist 5.62568 6.68956 3.63993 12.8716 8.82948 10.7429 numMergedOcc 0
37 mol 289 unq 0 iso 0 dist 5.62568 6.23874 5.9468 12.8716 8.82948 10.5202 numMergedOcc 0
38 mol 289 unq 1 iso 0 dist 5.62568 6.68956 3.63993 12.8716 8.82948 10.7429 numMergedOcc 0
