0 mol 0 unq 0 iso 0 dist 8.99617 11.2001 9.19007 18.0627 14.0232 6.91778 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 7.21619 8.75206 8.80762 13.4942 10.0658 5.99972 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 5.87266 5.41626 7.05346 11.2374 8.88528 7.32257 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 9.60462 7.06965 7.05346 10.5597 8.88528 7.32257 numMergedOcc 0
4 mol 9 unq 2 iso 0 dist 9.36946 10.172 7.9944 12.5274 4.58685 6.55811 numMergedOcc 0
5 mol 9 unq 3 iso 0 dist 9.36946 10.172 7.9944 12.4763 5.83039 7.36018 numMergedOcc 0
6 mol 9 unq 4 iso 0 dist 9.36946 10.172 7.9944 16.203 9.06304 8.48677 numMergedOcc 0
7 mol 9 unq 5 iso 0 dist 9.36946 5.4068 7.032 12.5274 4.58685 8.64915 numMergedOcc 0
8 mol 9 unq 6 iso 0 dist 9.36946 5.4068 7.032 12.4763 5.83039 8.17347 numMergedOcc 0
9 mol 9 unq 7 iso 0 dist 9.36946 5.4068 7.032 10.445 9.193 7.83133 numMergedOcc 0
10 mol 19 unq 0 iso 0 dist 8.41365 13.4414 6.92532 20.0127 13.9675 7.75618 numMergedOcc 0
11 mol 24 unq 0 iso 0 dist 5.78238 9.59761 6.60423 16.7308 11.9395 9.41441 numMergedOcc 0
12 mol 44 unq 0 iso 0 dist 8.6578 6.07691 7.52117 7.42925 5.1728 9.6782 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 6.59232 5.72472 5.16364 11.7493 9.03289 6.02816 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 8.95491 11.9657 6.49956 12.1543 12.0757 8.91313 numMergedOcc 0
15 mol 92 unq 1 iso 0 dist 8.95491 11.9657 6.49956 14.7793 7.64508 8.16392 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 9.07229 10.6381 8.41611 18.178 15.0801 7.78652 numMergedOcc 0
17 mol 143 unq 1 iso 0 dist 9.07229 10.6381 8.41611 18.2773 15.0315 8.91301 numMergedOcc 0
18 mol 143 unq 2 iso 0 dist 8.98581 4.98373 7.63338 10.8751 11.5146 7.78652 numMergedOcc 0
19 mol 143 unq 3 iso 0 dist 8.98581 4.98373 7.63338 13.1013 13.434 8.91301 numMergedOcc 0
20 mol 148 unq 0 iso 0 dist 5.29515 10.7866 9.74542 12.0052 7.23332 9.91993 numMergedOcc 0
21 mol 148 unq 1 iso 0 dist 5.29515 10.7866 9.74542 11.7851 7.89336 6.22055 numMergedOcc 0
22 mol 150 unq 0 iso 0 dist 5.16917 10.734 9.6606 12.0168 7.35366 9.96691 numMergedOcc 0
23 mol 150 unq 1 iso 0 dist 5.16917 10.734 9.6606 11.6886 7.86976 6.14675 numMergedOcc 0
24 mol 150 unq 2 iso 0 dist 5.16917 10.734 9.6606 15.9383 11.8012 9.24244 numMergedOcc 0
25 mol 156 unq 0 iso 0 dist 8.86912 7.46358 5.38091 12.2197 12.4049 7.30357 numMergedOcc 0
26 mol 156 unq 1 iso 0 dist 8.86912 7.46358 5.38091 14.829 11.7015 8.61587 numMergedOcc 0
27 mol 162 unq 0 iso 0 dist 7.34321 6.71523 8.00506 9.25835 4.56165 6.45896 numMergedOcc 0
28 mol 171 unq 0 iso 0 dist 7.11599 12.3586 7.71426 12.9816 6.29877 5.93786 numMergedOcc 0
29 mol 171 unq 1 iso 0 dist 7.11599 12.3586 7.71426 12.9808 5.90358 8.1344 numMergedOcc 0
30 mol 171 unq 2 iso 0 dist 7.11599 9.45239 5.10618 12.9816 6.29877 8.24693 numMergedOcc 0
31 mol 171 unq 3 iso 0 dist 7.11599 9.45239 5.10618 12.9808 5.90358 6.71356 numMergedOcc 0
32 mol 186 unq 0 iso 0 dist 9.51006 10.568 7.20574 13.6647 11.8992 8.73217 numMergedOcc 0
33 mol 194 unq 0 iso 0 dist 9.13708 5.03763 6.26839 10.6315 5.92931 8.65535 numMergedOcc 0
34 mol 194 unq 1 iso 0 dist 9.13708 16.5287 8.83356 15.691 12.361 8.29382 numMergedOcc 0
35 mol 194 unq 2 iso 0 dist 9.13708 16.5287 8.83356 12.6412 7.50057 6.72379 numMergedOcc 0
36 mol 223 unq 0 iso 0 dist 6.82737 4.67731 6.13306 6.64193 6.80048 7.48463 numMergedOcc 0
37 mol 223 unq 1 iso 0 dist 6.80967 7.19485 6.13306 11.867 6.80048 7.48463 numMergedOcc 0
38 mol 232 unq 0 iso 0 dist 6.29118 4.90814 7.83711 13.5442 13.8622 9.05071 numMergedOcc 0
39 mol 234 unq 0 iso 0 dist 4.7359 4.74041 8.24186 10.2618 9.68666 9.81425 numMergedOcc 0
40 mol 235 unq 0 iso 0 dist 7.22411 10.6339 6.39158 13.6439 7.85398 6.36341 numMergedOcc 0
41 mol 279 unq 0 iso 0 dist 7.92537 9.73122 6.43341 6.12347 5.89415 9.09855 numMergedOcc 0
