0 mol 28 unq 0 iso 0 dist 9.83168 8.91922 4.656 7.431 10.4466 9.74532 numMergedOcc 0
1 mol 78 unq 0 iso 0 dist 9.68277 6.50622 4.90647 6.75646 11.8717 8.42738 numMergedOcc 0
2 mol 78 unq 1 iso 0 dist 9.68277 4.45433 7.30597 5.80317 13.3992 8.61143 numMergedOcc 0
3 mol 78 unq 2 iso 0 dist 9.68277 4.45433 7.30597 6.75646 11.8717 8.79979 numMergedOcc 0
4 mol 90 unq 0 iso 0 dist 8.6308 8.96446 3.78122 4.28396 5.28331 5.24346 numMergedOcc 0
5 mol 101 unq 0 iso 0 dist 9.1109 6.54699 5.42817 4.80201 8.83779 8.19144 numMergedOcc 0
6 mol 101 unq 1 iso 0 dist 5.51185 6.54699 4.19577 4.80201 8.91685 8.19144 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 9.98097 7.43045 4.45608 5.76787 7.43587 5.60448 numMergedOcc 0
8 mol 176 unq 0 iso 0 dist 7.02608 9.95907 8.18142 12.7022 14.9984 8.65645 numMergedOcc 0
9 mol 176 unq 1 iso 0 dist 7.02608 9.95907 8.18142 6.27598 9.06564 6.85902 numMergedOcc 0
10 mol 193 unq 0 iso 0 dist 5.19654 6.10013 3.41036 4.40965 6.63784 8.30069 numMergedOcc 0
11 mol 193 unq 1 iso 0 dist 5.19654 6.10013 3.41036 6.04442 9.00934 8.83551 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 9.22805 9.531 9.65101 6.81818 10.6971 7.83056 numMergedOcc 0
13 mol 220 unq 1 iso 0 dist 9.16648 9.531 8.01687 6.81818 12.111 7.83056 numMergedOcc 0
14 mol 232 unq 0 iso 0 dist 4.46314 4.76819 3.79439 5.87373 10.2171 9.64861 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 4.21935 7.99963 7.72768 9.04752 10.9363 6.09626 numMergedOcc 0
16 mol 260 unq 0 iso 0 dist 8.66784 4.20369 8.83524 5.76999 13.7488 7.04263 numMergedOcc 0
17 mol 260 unq 1 iso 0 dist 8.3298 4.20369 9.7119 5.76999 11.7903 7.04263 numMergedOcc 0
18 mol 283 unq 0 iso 0 dist 6.15136 9.33601 11.413 11.6748 15.9872 7.31132 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 8.83885 9.57637 7.24849 11.8739 11.2301 4.68668 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 8.83885 9.57637 7.24849 11.8739 11.2301 4.68668 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 8.83885 9.57637 7.24849 11.8739 11.2301 4.68668 numMergedOcc 0
