0 mol 34 unq 0 iso 0 dist 9.4815 5.29955 9.56614 6.887 10.4688 6.52283 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 9.76059 3.69256 8.4441 11.9995 4.53851 9.41098 numMergedOcc 0
2 mol 34 unq 2 iso 0 dist 8.8197 3.63648 8.4441 7.93454 4.53851 9.41098 numMergedOcc 0
3 mol 36 unq 0 iso 0 dist 9.1763 3.5215 7.23219 9.14501 6.96098 5.70939 numMergedOcc 0
4 mol 37 unq 0 iso 0 dist 6.65821 3.96491 8.61124 9.15499 3.88248 9.59073 numMergedOcc 0
5 mol 37 unq 1 iso 0 dist 6.02633 3.96491 5.1625 9.15499 6.78844 9.59073 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 7.11013 8.47393 9.11491 8.52697 4.1859 9.04293 numMergedOcc 0
7 mol 79 unq 1 iso 0 dist 7.11013 8.47393 9.11491 9.9818 8.68431 4.78333 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 7.46478 3.81285 5.61151 6.24296 7.2898 4.29937 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 7.46478 3.81285 5.61151 6.83218 4.13305 3.65628 numMergedOcc 0
10 mol 85 unq 2 iso 0 dist 7.46478 3.81285 5.61151 10.9154 6.42723 9.77774 numMergedOcc 0
11 mol 85 unq 3 iso 0 dist 7.46478 6.17121 6.54289 6.24296 7.2898 5.37869 numMergedOcc 0
12 mol 85 unq 4 iso 0 dist 7.46478 6.17121 6.54289 6.83218 4.13305 4.05415 numMergedOcc 0
13 mol 85 unq 5 iso 0 dist 7.46478 6.17121 6.54289 10.9154 6.42723 9.97944 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 8.80672 6.82158 4.51124 10.0267 4.08137 7.33774 numMergedOcc 0
15 mol 204 unq 1 iso 0 dist 8.80672 11.8793 8.41517 10.0267 4.08137 6.39122 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 5.24645 12.204 9.81165 15.4513 10.9008 7.88986 numMergedOcc 0
17 mol 205 unq 1 iso 0 dist 5.24645 7.10068 7.74029 10.6511 9.116 4.97301 numMergedOcc 0
18 mol 213 unq 0 iso 0 dist 8.6925 12.5633 7.77553 13.5558 4.89372 9.02881 numMergedOcc 0
19 mol 285 unq 0 iso 0 dist 7.78881 11.8302 6.01404 11.5892 4.3249 4.27826 numMergedOcc 0
20 mol 292 unq 0 iso 0 dist 8.66938 4.94483 3.93401 13.8387 6.87619 9.21469 numMergedOcc 0
21 mol 292 unq 1 iso 0 dist 9.97399 6.85091 3.93401 14.707 6.87619 9.21469 numMergedOcc 0
