0 mol 26 unq 0 iso 0 dist 8.27488 5.01774 8.28202 11.6909 10.2239 6.99742 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.66932 9.39237 6.38866 12.4057 3.85603 7.05327 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 9.66932 9.39237 6.38866 13.9428 4.42374 9.29284 numMergedOcc 0
3 mol 111 unq 0 iso 0 dist 9.83758 6.87591 9.34782 12.5893 11.4065 7.75479 numMergedOcc 0
4 mol 113 unq 0 iso 0 dist 6.36631 4.8668 4.49669 8.94447 5.09579 5.45882 numMergedOcc 0
5 mol 113 unq 1 iso 0 dist 6.36631 8.60367 6.00221 8.94447 5.09579 4.57487 numMergedOcc 0
6 mol 113 unq 2 iso 0 dist 6.24308 4.8668 5.88896 8.94447 5.46299 5.45882 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 5.96324 6.34139 5.60448 12.8929 9.53687 9.68074 numMergedOcc 0
8 mol 204 unq 0 iso 0 dist 8.47283 10.816 9.93489 9.01666 7.51762 4.51124 numMergedOcc 0
9 mol 204 unq 1 iso 0 dist 8.47283 4.27546 7.64057 9.01666 7.51762 8.41517 numMergedOcc 0
10 mol 214 unq 0 iso 0 dist 7.93054 4.26898 7.42759 8.20906 4.00138 7.72298 numMergedOcc 0
11 mol 254 unq 0 iso 0 dist 8.80049 13.8734 7.85841 12.9598 6.19835 7.23916 numMergedOcc 0
12 mol 254 unq 1 iso 0 dist 8.80049 15.5851 9.20109 12.9598 6.19835 6.12653 numMergedOcc 0
13 mol 254 unq 2 iso 0 dist 8.26189 12.399 7.85841 10.9305 4.84855 6.59989 numMergedOcc 0
14 mol 254 unq 3 iso 0 dist 7.57834 12.6878 9.20109 10.7181 5.67608 6.59989 numMergedOcc 0
15 mol 254 unq 4 iso 0 dist 5.75348 12.399 9.20109 10.9305 5.67608 6.59989 numMergedOcc 0
16 mol 260 unq 0 iso 0 dist 4.54064 3.43932 6.48099 6.29389 5.91135 5.30187 numMergedOcc 0
17 mol 277 unq 0 iso 0 dist 8.70774 14.9564 7.98956 17.2138 13.6468 9.62597 numMergedOcc 0
18 mol 281 unq 0 iso 0 dist 9.73306 12.2582 7.90368 15.1207 14.4804 9.94612 numMergedOcc 0
19 mol 281 unq 1 iso 0 dist 7.8046 7.60311 7.90368 9.26654 14.4804 9.94612 numMergedOcc 0
20 mol 285 unq 0 iso 0 dist 5.93983 8.32005 5.88958 11.2981 6.01515 6.01404 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 8.27196 4.69872 6.24487 11.727 7.45064 7.1388 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 8.27196 4.69872 6.24487 11.727 7.45064 7.1388 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 8.27196 4.69872 6.24487 11.727 7.45064 7.1388 numMergedOcc 0
24 mol 292 unq 0 iso 0 dist 8.06614 7.34358 8.07775 13.7865 11.2463 9.10627 numMergedOcc 0
