0 mol 11 unq 0 iso 0 dist 9.69163 5.66282 8.22232 11.9421 5.40468 10.94 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.92816 8.09768 8.34508 11.9204 5.47299 7.93357 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 7.22923 5.60694 7.09381 3.75443 8.36195 5.83388 numMergedOcc 0
3 mol 37 unq 0 iso 0 dist 9.72316 9.22395 6.82081 5.61824 9.86496 6.60479 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.93754 13.4621 6.7939 15.1192 7.9575 8.50831 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 7.93754 8.33212 8.44695 15.1192 7.9575 11.1595 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 7.93754 7.67132 5.68894 15.1192 7.9575 10.3098 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 4.65085 6.631 9.26231 9.31017 9.50939 14.6307 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 6.63801 14.3908 9.54774 13.4055 8.52131 6.79695 numMergedOcc 0
9 mol 165 unq 0 iso 0 dist 9.76019 5.99105 7.8052 9.98935 8.00005 11.4281 numMergedOcc 0
10 mol 225 unq 0 iso 0 dist 7.74806 4.07725 7.0412 7.29197 6.35772 9.71885 numMergedOcc 0
11 mol 226 unq 0 iso 0 dist 9.1043 15.3691 8.24741 14.7579 9.84378 10.4 numMergedOcc 0
12 mol 226 unq 1 iso 0 dist 9.1043 9.54879 5.07958 14.7579 9.84378 5.92594 numMergedOcc 0
13 mol 226 unq 2 iso 0 dist 9.1043 6.97602 6.19519 14.7579 9.84378 15.5677 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 9.43397 14.9424 7.10828 5.02193 5.4687 10.0889 numMergedOcc 0
15 mol 287 unq 0 iso 0 dist 4.50513 8.25613 8.44356 10.0944 7.82157 10.2357 numMergedOcc 0
16 mol 287 unq 1 iso 0 dist 4.50513 8.25613 8.44356 5.87452 8.39976 5.27788 numMergedOcc 0
17 mol 288 unq 0 iso 0 dist 4.50513 8.25613 8.44356 10.0944 7.82157 10.2357 numMergedOcc 0
18 mol 288 unq 1 iso 0 dist 4.50513 8.25613 8.44356 5.87452 8.39976 5.27788 numMergedOcc 0
19 mol 289 unq 0 iso 0 dist 4.50513 8.25613 8.44356 10.0944 7.82157 10.2357 numMergedOcc 0
20 mol 289 unq 1 iso 0 dist 4.50513 8.25613 8.44356 5.87452 8.39976 5.27788 numMergedOcc 0
