0 mol 8 unq 0 iso 0 dist 8.73998 8.76702 13.0138 16.3437 9.59644 22.2997 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.73998 6.27477 5.95251 16.3437 9.59644 14.5238 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 5.44478 9.41745 6.9065 4.13477 7.44542 7.8865 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 5.8166 8.97292 6.34748 6.00486 5.41134 6.65344 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 5.8166 8.97292 6.34748 11.9828 8.61357 10.9882 numMergedOcc 0
5 mol 59 unq 2 iso 0 dist 5.8166 6.85083 6.47721 6.00486 5.41134 10.6564 numMergedOcc 0
6 mol 59 unq 3 iso 0 dist 5.8166 6.85083 6.47721 11.9828 8.61357 15.047 numMergedOcc 0
7 mol 59 unq 4 iso 0 dist 6.47468 8.97292 13.0793 6.00486 9.23605 6.65344 numMergedOcc 0
8 mol 59 unq 5 iso 0 dist 6.47468 6.85083 8.64013 6.00486 9.23605 10.6564 numMergedOcc 0
9 mol 86 unq 0 iso 0 dist 9.59708 7.26032 6.51657 4.4104 8.32885 8.88225 numMergedOcc 0
10 mol 86 unq 1 iso 0 dist 9.59708 7.26032 6.51657 9.78656 9.14653 9.49308 numMergedOcc 0
11 mol 103 unq 0 iso 0 dist 8.70106 5.94478 10.2138 10.6064 7.52954 15.1363 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 8.95717 9.64856 7.14559 9.30741 9.09918 14.1709 numMergedOcc 0
13 mol 131 unq 1 iso 0 dist 8.95717 6.38977 11.3296 9.30741 9.09918 15.0465 numMergedOcc 0
14 mol 131 unq 2 iso 0 dist 8.95717 9.69757 15.665 9.30741 9.09918 17.6626 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 6.5782 6.64164 6.43506 5.79787 9.65404 12.2455 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 8.98221 8.08787 9.13357 10.7102 5.83898 14.2341 numMergedOcc 0
17 mol 187 unq 0 iso 0 dist 5.26804 7.68247 4.98423 6.54244 5.82577 9.36086 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 7.00773 9.82174 9.4693 5.22428 8.93135 10.6346 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 7.00773 9.2521 13.931 5.22428 8.93135 13.9196 numMergedOcc 0
20 mol 238 unq 2 iso 0 dist 7.00773 8.51359 15.2654 5.22428 8.93135 11.2596 numMergedOcc 0
21 mol 253 unq 0 iso 0 dist 8.27377 7.0247 12.8819 12.851 8.32005 15.2789 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 9.49732 6.49599 11.0067 12.8939 8.06908 14.0139 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 9.49732 9.34738 11.569 12.8939 8.06908 16.6234 numMergedOcc 0
24 mol 259 unq 2 iso 0 dist 9.49732 9.47382 6.18571 12.8939 8.06908 9.54857 numMergedOcc 0
25 mol 283 unq 0 iso 0 dist 6.89455 7.92491 6.41403 10.1296 8.89292 14.6069 numMergedOcc 0
26 mol 283 unq 1 iso 0 dist 9.82337 7.92491 13.1972 10.1296 8.43009 14.6069 numMergedOcc 0
27 mol 287 unq 0 iso 0 dist 4.66252 9.22576 11.3048 8.98504 8.58119 16.8196 numMergedOcc 0
28 mol 288 unq 0 iso 0 dist 4.66252 9.22576 11.3048 8.98504 8.58119 16.8196 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 4.66252 9.22576 11.3048 8.98504 8.58119 16.8196 numMergedOcc 0
30 mol 293 unq 0 iso 0 dist 6.02106 8.90008 8.15525 4.35498 7.67909 10.6063 numMergedOcc 0
31 mol 293 unq 1 iso 0 dist 8.27274 8.90008 9.35524 4.35498 6.83404 10.6063 numMergedOcc 0
