0 mol 26 unq 0 iso 0 dist 8.43571 6.32127 7.30207 9.77186 10.171 9.5053 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 7.84931 6.68029 7.09981 5.63384 12.1055 7.40415 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 6.64392 6.44166 7.09981 12.2072 12.1055 7.40415 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 9.93751 6.73172 9.76776 12.468 14.8658 9.77017 numMergedOcc 0
4 mol 116 unq 0 iso 0 dist 9.09071 7.85045 10.5909 5.83414 13.8984 8.79367 numMergedOcc 0
5 mol 116 unq 1 iso 0 dist 7.7367 7.85045 6.2875 5.83414 11.6585 8.79367 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 8.98949 8.74658 13.3682 6.53994 14.4427 5.56627 numMergedOcc 0
7 mol 131 unq 1 iso 0 dist 8.98949 8.74658 13.3682 13.4383 18.8343 8.50562 numMergedOcc 0
8 mol 162 unq 0 iso 0 dist 8.80787 9.90113 5.81787 8.33753 10.8821 7.58035 numMergedOcc 0
9 mol 162 unq 1 iso 0 dist 8.80787 9.90113 5.81787 9.62474 4.49707 8.21989 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 7.21606 5.6688 5.10499 6.09526 11.2019 7.11785 numMergedOcc 0
11 mol 205 unq 0 iso 0 dist 8.96503 9.47112 4.79372 11.7574 8.23349 8.07076 numMergedOcc 0
12 mol 205 unq 1 iso 0 dist 8.96503 9.47112 4.79372 12.8469 8.7062 5.95375 numMergedOcc 0
13 mol 205 unq 2 iso 0 dist 8.96503 9.47112 4.79372 15.0925 13.0508 9.17946 numMergedOcc 0
14 mol 222 unq 0 iso 0 dist 8.67562 8.37652 8.25682 7.45292 10.9165 8.88664 numMergedOcc 0
15 mol 226 unq 0 iso 0 dist 7.64898 9.20651 4.66376 11.576 10.4619 6.26945 numMergedOcc 0
16 mol 237 unq 0 iso 0 dist 6.73849 6.78301 6.57707 12.2119 11.4318 6.07878 numMergedOcc 0
17 mol 237 unq 1 iso 0 dist 9.43875 6.78301 6.45163 12.2119 10.2554 6.07878 numMergedOcc 0
18 mol 272 unq 0 iso 0 dist 8.19595 5.9131 3.93924 7.94696 12.0577 8.13034 numMergedOcc 0
19 mol 272 unq 1 iso 0 dist 4.87063 8.16917 4.49309 12.6613 10.5331 8.13034 numMergedOcc 0
20 mol 272 unq 2 iso 0 dist 8.56255 8.16917 3.93924 12.6613 12.0577 8.13034 numMergedOcc 0
