0 mol 5 unq 0 iso 0 dist 9.68326 5.74912 7.95876 13.1001 9.59917 7.8351 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 8.18111 8.39309 7.95876 14.7692 9.59917 7.8351 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 8.75465 15.0884 9.87885 13.766 12.1855 6.22892 numMergedOcc 0
3 mol 11 unq 0 iso 0 dist 5.59847 5.51815 6.54358 10.6872 11.3059 9.23212 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.48944 14.0586 7.27472 15.4913 7.79018 5.87895 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 9.04448 9.67461 5.68215 10.914 7.63533 6.35095 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 6.94712 5.40129 7.16132 7.32436 5.17091 8.62769 numMergedOcc 0
7 mol 54 unq 1 iso 0 dist 6.94712 5.40129 7.16132 11.471 10.763 6.09782 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 8.57607 4.16047 8.27883 5.84349 8.32734 8.26838 numMergedOcc 0
9 mol 95 unq 1 iso 0 dist 6.1991 4.16047 5.75428 5.84349 4.79063 8.26838 numMergedOcc 0
10 mol 95 unq 2 iso 0 dist 5.96246 4.16047 8.57395 5.84349 4.05985 8.26838 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 8.59103 8.36322 6.29161 7.60412 4.57343 8.46734 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 9.11314 10.5234 5.37047 13.6341 5.88056 5.30872 numMergedOcc 0
13 mol 182 unq 0 iso 0 dist 8.4603 5.4214 9.56028 10.6194 5.62883 9.36307 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 6.04336 4.70216 9.3498 11.0813 13.4486 6.99623 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 9.00537 9.40374 6.61112 8.42226 5.85073 7.45401 numMergedOcc 0
16 mol 186 unq 2 iso 0 dist 8.9388 12.4751 6.61112 13.878 5.85073 7.45401 numMergedOcc 0
17 mol 217 unq 0 iso 0 dist 9.41353 5.33123 9.62437 12.0273 14.2983 9.90668 numMergedOcc 0
18 mol 229 unq 0 iso 0 dist 9.90415 12.9522 6.95201 16.6182 6.80826 8.0007 numMergedOcc 0
19 mol 229 unq 1 iso 0 dist 5.96615 6.21905 6.95201 9.48106 6.80826 8.0007 numMergedOcc 0
20 mol 234 unq 0 iso 0 dist 9.73257 6.44395 5.64285 11.3024 5.07724 9.67966 numMergedOcc 0
21 mol 250 unq 0 iso 0 dist 8.51613 6.15778 6.59244 5.97672 5.16962 8.21206 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 9.88198 10.7368 6.35028 14.048 4.91802 6.47376 numMergedOcc 0
23 mol 279 unq 1 iso 0 dist 9.88198 10.7368 6.35028 18.4874 9.35656 9.6147 numMergedOcc 0
