0 mol 52 unq 0 iso 0 dist 8.52979 11.2457 5.26018 10.7036 6.22221 5.02333 numMergedOcc 0
1 mol 52 unq 1 iso 0 dist 8.52979 10.6296 7.1203 10.7036 6.22221 10.0938 numMergedOcc 0
2 mol 131 unq 0 iso 0 dist 6.44766 4.7712 8.99949 9.62739 8.80895 7.51072 numMergedOcc 0
3 mol 142 unq 0 iso 0 dist 6.91573 6.71726 7.15087 10.5548 8.04118 5.19808 numMergedOcc 0
4 mol 147 unq 0 iso 0 dist 9.11046 9.74941 6.87299 5.76262 6.73617 5.14383 numMergedOcc 0
5 mol 147 unq 1 iso 0 dist 9.11046 9.74941 6.87299 4.09924 9.03544 8.68767 numMergedOcc 0
6 mol 198 unq 0 iso 0 dist 7.96375 5.71019 7.75394 11.0465 9.76973 11.4495 numMergedOcc 0
7 mol 222 unq 0 iso 0 dist 8.81925 13.6437 5.47561 4.73685 5.1609 9.2281 numMergedOcc 0
8 mol 232 unq 0 iso 0 dist 6.94983 7.52857 9.95045 8.26136 8.25985 15.2257 numMergedOcc 0
9 mol 232 unq 1 iso 0 dist 6.94983 7.52857 9.95045 4.7723 9.27788 11.1518 numMergedOcc 0
10 mol 239 unq 0 iso 0 dist 9.73858 8.96514 8.61729 5.61065 4.43499 8.18179 numMergedOcc 0
11 mol 241 unq 0 iso 0 dist 5.40961 7.88016 8.98668 7.13208 7.52531 11.089 numMergedOcc 0
12 mol 241 unq 1 iso 0 dist 8.74174 10.8145 8.98668 6.95297 7.52531 11.089 numMergedOcc 0
13 mol 241 unq 2 iso 0 dist 5.57621 5.14928 8.98668 8.09397 7.52531 11.089 numMergedOcc 0
14 mol 241 unq 3 iso 0 dist 8.28853 10.7582 8.98668 6.13288 7.52531 11.089 numMergedOcc 0
15 mol 241 unq 4 iso 0 dist 8.71739 14.7833 8.98668 5.13491 7.52531 11.089 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 8.14812 8.01298 8.40766 6.55101 8.03012 4.2886 numMergedOcc 0
17 mol 278 unq 0 iso 0 dist 6.23184 8.86677 7.58272 6.96416 5.35705 9.89274 numMergedOcc 0
