0 mol 90 unq 0 iso 0 dist 9.98861 8.14775 6.02596 14.0862 8.97966 9.52334 numMergedOcc 0
1 mol 90 unq 1 iso 0 dist 5.52904 4.03085 6.02596 11.7807 8.97966 9.52334 numMergedOcc 0
2 mol 109 unq 0 iso 0 dist 4.30961 4.86796 5.81859 13.0155 12.5868 9.67848 numMergedOcc 0
3 mol 120 unq 0 iso 0 dist 8.31527 10.7979 5.56598 11.3088 3.47821 6.05523 numMergedOcc 0
4 mol 120 unq 1 iso 0 dist 8.31527 6.76794 5.39792 11.3088 3.47821 7.81657 numMergedOcc 0
5 mol 120 unq 2 iso 0 dist 7.64841 6.76794 8.44206 11.3088 6.10769 7.81657 numMergedOcc 0
6 mol 123 unq 0 iso 0 dist 7.49032 4.20645 9.72421 8.8413 3.21474 9.93886 numMergedOcc 0
7 mol 123 unq 1 iso 0 dist 7.49032 9.0296 8.35926 8.8413 3.21474 6.49558 numMergedOcc 0
8 mol 123 unq 2 iso 0 dist 7.04627 6.60637 9.72421 7.82124 3.21474 9.93886 numMergedOcc 0
9 mol 123 unq 3 iso 0 dist 7.04627 6.33531 8.35926 7.82124 3.21474 6.49558 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 9.48604 5.92054 7.50304 10.1415 5.11518 5.53721 numMergedOcc 0
11 mol 176 unq 0 iso 0 dist 5.23992 3.97723 4.67031 11.2241 6.22252 8.95295 numMergedOcc 0
12 mol 176 unq 1 iso 0 dist 7.91974 3.97723 6.20326 11.2241 3.54036 8.95295 numMergedOcc 0
13 mol 176 unq 2 iso 0 dist 9.1617 3.97723 6.8243 11.2241 4.96592 8.95295 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 9.76929 7.66679 7.45508 13.1874 5.98994 8.00415 numMergedOcc 0
15 mol 257 unq 0 iso 0 dist 8.50916 14.1389 9.79593 19.8597 14.5414 8.13651 numMergedOcc 0
16 mol 266 unq 0 iso 0 dist 7.51951 4.00824 9.2684 7.57543 8.28959 9.42301 numMergedOcc 0
17 mol 266 unq 1 iso 0 dist 7.51951 4.00824 9.2684 8.93788 16.0845 8.89002 numMergedOcc 0
18 mol 278 unq 0 iso 0 dist 8.69111 4.25803 7.73107 8.28751 3.39646 9.00962 numMergedOcc 0
19 mol 284 unq 0 iso 0 dist 5.06373 6.24981 5.31097 11.1809 6.26735 8.69983 numMergedOcc 0
20 mol 287 unq 0 iso 0 dist 7.96707 13.5162 9.03468 7.64453 3.39991 8.27165 numMergedOcc 0
21 mol 287 unq 1 iso 0 dist 7.96707 5.22713 6.05363 7.64453 3.39991 8.0077 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 7.96707 13.5162 9.03468 7.64453 3.39991 8.27165 numMergedOcc 0
23 mol 288 unq 1 iso 0 dist 7.96707 5.22713 6.05363 7.64453 3.39991 8.0077 numMergedOcc 0
24 mol 289 unq 0 iso 0 dist 7.96707 13.5162 9.03468 7.64453 3.39991 8.27165 numMergedOcc 0
25 mol 289 unq 1 iso 0 dist 7.96707 5.22713 6.05363 7.64453 3.39991 8.0077 numMergedOcc 0
