0 mol 44 unq 0 iso 0 dist 7.20409 9.06073 11.0602 11.7723 7.44869 18.1726 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 5.93729 9.06073 6.3575 5.4204 9.17447 8.47518 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 7.19406 7.44944 8.73361 9.72598 8.18251 14.7246 numMergedOcc 0
3 mol 46 unq 1 iso 0 dist 7.19406 7.44944 8.73361 4.50032 5.02642 9.42516 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 5.78051 8.41359 8.12928 9.49743 9.14072 10.1097 numMergedOcc 0
5 mol 75 unq 0 iso 0 dist 8.4689 6.8025 5.42608 11.4549 5.47459 10.2793 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 8.99618 7.41265 5.58856 7.79139 7.5434 10.0218 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 9.0101 9.47924 15.1383 4.77004 7.41861 10.9974 numMergedOcc 0
8 mol 128 unq 0 iso 0 dist 9.20442 9.83003 6.41259 5.54195 8.83811 6.93718 numMergedOcc 0
9 mol 171 unq 0 iso 0 dist 9.43988 6.01062 10.1365 6.94063 9.1056 12.0059 numMergedOcc 0
10 mol 171 unq 1 iso 0 dist 9.43988 8.63202 7.47696 6.94063 9.1056 4.59484 numMergedOcc 0
11 mol 173 unq 0 iso 0 dist 8.91036 8.82137 16.1177 14.4364 6.60418 21.6808 numMergedOcc 0
12 mol 180 unq 0 iso 0 dist 8.34083 9.82683 5.76764 5.25253 9.3777 8.2817 numMergedOcc 0
13 mol 212 unq 0 iso 0 dist 7.67675 8.79252 13.7145 10.4593 8.09185 18.9818 numMergedOcc 0
14 mol 212 unq 1 iso 0 dist 7.67675 8.09995 9.48834 10.4593 8.09185 14.3533 numMergedOcc 0
15 mol 212 unq 2 iso 0 dist 7.35349 9.52641 4.95466 6.60813 7.27225 10.6552 numMergedOcc 0
16 mol 222 unq 0 iso 0 dist 6.17749 8.27605 6.45821 4.56851 4.87053 5.17916 numMergedOcc 0
17 mol 230 unq 0 iso 0 dist 6.97966 9.50208 9.00595 4.59722 5.19913 11.9848 numMergedOcc 0
18 mol 233 unq 0 iso 0 dist 8.73545 7.67027 15.6432 4.67806 8.01777 10.788 numMergedOcc 0
19 mol 241 unq 0 iso 0 dist 9.23127 9.11776 5.98686 7.33716 8.48816 11.0938 numMergedOcc 0
20 mol 241 unq 1 iso 0 dist 9.23127 9.11776 5.98686 6.05658 9.8198 12.3923 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 5.3435 7.77703 7.55927 11.1483 5.9223 10.3824 numMergedOcc 0
