0 mol 51 unq 0 iso 0 dist 7.01107 5.49911 9.87175 9.42746 9.11764 10.3916 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 7.51631 8.30448 8.06999 4.60844 8.19932 10.6046 numMergedOcc 0
2 mol 107 unq 0 iso 0 dist 7.09988 11.1652 7.2697 7.15039 5.31375 6.09114 numMergedOcc 0
3 mol 107 unq 1 iso 0 dist 7.09988 11.1652 7.2697 12.4206 6.49371 9.3109 numMergedOcc 0
4 mol 107 unq 2 iso 0 dist 7.73898 10.8746 7.2697 4.80846 5.31375 6.09114 numMergedOcc 0
5 mol 107 unq 3 iso 0 dist 7.73898 10.8746 7.2697 9.55354 6.49371 9.3109 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 8.83567 5.44644 7.80156 10.864 5.92828 8.3383 numMergedOcc 0
7 mol 112 unq 1 iso 0 dist 8.83567 5.44644 7.80156 9.95307 9.1247 5.07427 numMergedOcc 0
8 mol 112 unq 2 iso 0 dist 6.79584 8.92091 7.80156 9.50897 5.92828 8.3383 numMergedOcc 0
9 mol 112 unq 3 iso 0 dist 6.79584 8.92091 7.80156 11.9673 9.1247 5.07427 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 6.36631 5.73808 8.28997 13.8532 8.67025 14.1097 numMergedOcc 0
11 mol 113 unq 1 iso 0 dist 6.36631 13.7052 7.98399 13.8532 8.67025 3.78881 numMergedOcc 0
12 mol 113 unq 2 iso 0 dist 6.24308 5.73808 8.54311 11.2557 9.60127 7.2142 numMergedOcc 0
13 mol 116 unq 0 iso 0 dist 8.83566 9.78082 8.35659 12.2757 9.87354 10.0407 numMergedOcc 0
14 mol 142 unq 0 iso 0 dist 6.4119 10.563 9.53873 9.85239 5.42679 9.67929 numMergedOcc 0
15 mol 142 unq 1 iso 0 dist 8.40522 14.2149 9.53873 5.01365 5.42679 9.67929 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 8.15587 9.08523 9.85336 10.4563 9.36334 3.94911 numMergedOcc 0
17 mol 266 unq 0 iso 0 dist 7.96613 5.03854 7.34607 8.86075 7.72861 5.27181 numMergedOcc 0
18 mol 285 unq 0 iso 0 dist 5.93983 10.5523 6.5191 7.67857 7.73438 6.62906 numMergedOcc 0
