0 mol 45 unq 0 iso 0 dist 8.69574 10.6588 8.81519 5.9084 7.72462 9.16258 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 9.42184 10.3721 7.75341 5.6721 5.17145 5.7253 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 7.58743 9.0655 8.0318 6.32618 5.70907 3.51719 numMergedOcc 0
3 mol 88 unq 0 iso 0 dist 9.44737 8.36516 6.89706 11.0853 8.72458 5.03089 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 9.43496 12.5193 9.48388 12.2875 6.9223 12.5542 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 9.43496 12.5193 9.48388 4.98638 7.0561 12.4705 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 6.31773 7.4889 8.32738 4.92962 8.4965 10.4505 numMergedOcc 0
7 mol 116 unq 0 iso 0 dist 9.87191 5.17486 8.75205 13.0273 9.31005 8.27695 numMergedOcc 0
8 mol 116 unq 1 iso 0 dist 9.21528 6.28627 8.75205 13.1111 9.31005 8.27695 numMergedOcc 0
9 mol 207 unq 0 iso 0 dist 6.50724 9.63971 6.06003 8.626 8.78061 9.2787 numMergedOcc 0
10 mol 239 unq 0 iso 0 dist 7.63381 7.04644 7.69491 9.43815 8.88763 14.0929 numMergedOcc 0
11 mol 239 unq 1 iso 0 dist 7.63381 7.04644 7.69491 9.79222 6.43209 10.4935 numMergedOcc 0
12 mol 239 unq 2 iso 0 dist 7.63381 7.04644 7.69491 15.2256 8.48769 13.5016 numMergedOcc 0
13 mol 239 unq 3 iso 0 dist 7.63381 4.99161 6.64008 9.43815 8.88763 5.15966 numMergedOcc 0
14 mol 239 unq 4 iso 0 dist 7.63381 4.99161 6.64008 9.79222 6.43209 8.27455 numMergedOcc 0
15 mol 239 unq 5 iso 0 dist 7.63381 4.99161 6.64008 15.2256 8.48769 13.5505 numMergedOcc 0
16 mol 247 unq 0 iso 0 dist 9.01651 9.83927 7.95874 12.9282 9.92277 8.9906 numMergedOcc 0
17 mol 247 unq 1 iso 0 dist 8.83903 5.40081 7.95874 5.74872 9.92277 8.9906 numMergedOcc 0
18 mol 260 unq 0 iso 0 dist 7.27503 10.5646 7.88296 8.0809 9.65775 11.0663 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 6.22195 7.00525 9.0208 5.70666 8.20485 12.6413 numMergedOcc 0
20 mol 266 unq 1 iso 0 dist 6.22195 9.84205 9.30393 5.70666 8.20485 12.1716 numMergedOcc 0
21 mol 273 unq 0 iso 0 dist 8.89714 12.565 5.63226 5.62645 5.4307 7.32607 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 7.59142 12.8668 8.9352 6.06247 5.81528 7.91886 numMergedOcc 0
23 mol 279 unq 1 iso 0 dist 7.59142 12.3885 5.8845 6.06247 5.81528 9.00832 numMergedOcc 0
24 mol 285 unq 0 iso 0 dist 8.27917 14.9595 9.30058 12.0894 8.94601 15.6315 numMergedOcc 0
25 mol 285 unq 1 iso 0 dist 8.27917 11.1486 6.5354 12.0894 8.94601 6.6406 numMergedOcc 0
