0 mol 18 unq 0 iso 0 dist 8.81762 6.91413 11.6899 3.65324 12.2072 5.94965 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 5.32149 6.91413 5.53824 3.65324 7.23594 5.94965 numMergedOcc 0
2 mol 42 unq 0 iso 0 dist 8.23258 5.85932 5.3502 5.20888 6.14934 6.59566 numMergedOcc 0
3 mol 42 unq 1 iso 0 dist 8.23258 5.85932 5.3502 7.62739 8.64833 5.96747 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 5.9651 5.94459 8.53692 10.4143 14.7796 7.65992 numMergedOcc 0
5 mol 74 unq 0 iso 0 dist 9.32783 6.2442 4.79817 9.76443 13.1543 9.9321 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 6.34542 6.90574 6.39411 10.2417 13.008 8.52122 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 8.86938 5.9819 8.56707 12.1557 10.9647 6.55773 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 8.86938 5.9819 8.56707 14.1105 15.1697 9.67948 numMergedOcc 0
9 mol 112 unq 2 iso 0 dist 7.42474 5.9819 12.6695 12.1557 19.1937 6.55773 numMergedOcc 0
10 mol 112 unq 3 iso 0 dist 7.42474 5.9819 12.6695 14.1105 20.9873 9.67948 numMergedOcc 0
11 mol 189 unq 0 iso 0 dist 8.59972 9.5853 5.4905 10.5365 9.58744 5.15305 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 9.43611 9.11795 6.00534 8.86698 13.4764 9.542 numMergedOcc 0
13 mol 230 unq 0 iso 0 dist 6.03738 6.47064 10.753 14.558 19.3701 9.03723 numMergedOcc 0
14 mol 261 unq 0 iso 0 dist 9.80409 5.67349 6.04016 5.79529 14.6728 9.39571 numMergedOcc 0
15 mol 284 unq 0 iso 0 dist 9.98268 8.79958 11.8906 8.82182 14.4675 5.71854 numMergedOcc 0
16 mol 284 unq 1 iso 0 dist 9.98268 8.79958 11.8906 12.397 12.5306 7.66625 numMergedOcc 0
17 mol 284 unq 2 iso 0 dist 6.83147 8.79958 6.4399 8.82182 10.0607 5.71854 numMergedOcc 0
18 mol 284 unq 3 iso 0 dist 6.83147 8.79958 6.4399 12.397 10.0661 7.66625 numMergedOcc 0
19 mol 284 unq 4 iso 0 dist 7.43241 8.79958 13.016 8.82182 11.5929 5.71854 numMergedOcc 0
20 mol 284 unq 5 iso 0 dist 7.43241 8.79958 13.016 12.397 17.704 7.66625 numMergedOcc 0
21 mol 294 unq 0 iso 0 dist 7.77765 5.78275 12.0308 12.1248 11.8926 9.99345 numMergedOcc 0
