0 mol 26 unq 0 iso 0 dist 8.06656 4.25444 8.42581 13.7149 5.81836 13.1887 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 9.26105 9.85137 9.07545 6.27132 4.7978 7.98041 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 9.10096 10.1898 5.86571 12.2809 9.53772 7.35201 numMergedOcc 0
3 mol 56 unq 1 iso 0 dist 9.10096 10.1898 5.86571 14.0705 7.3576 4.30611 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 9.85244 9.01955 8.69209 7.56177 9.23985 9.08973 numMergedOcc 0
5 mol 111 unq 0 iso 0 dist 8.28541 4.10604 9.41723 6.02783 6.98727 4.98364 numMergedOcc 0
6 mol 111 unq 1 iso 0 dist 5.61533 9.19878 7.92876 9.12385 6.63857 4.81641 numMergedOcc 0
7 mol 120 unq 0 iso 0 dist 7.03509 6.68425 9.9016 9.95275 9.32166 13.8263 numMergedOcc 0
8 mol 120 unq 1 iso 0 dist 7.03509 6.68425 9.9016 5.47938 5.92729 7.6283 numMergedOcc 0
9 mol 182 unq 0 iso 0 dist 6.78113 9.50216 8.89822 6.5335 6.03308 3.88566 numMergedOcc 0
10 mol 225 unq 0 iso 0 dist 7.10883 4.42378 5.13453 5.81986 9.33639 5.317 numMergedOcc 0
11 mol 252 unq 0 iso 0 dist 7.82138 8.80846 6.57207 7.52441 6.5058 4.17197 numMergedOcc 0
12 mol 258 unq 0 iso 0 dist 7.44607 4.77595 9.51311 15.3529 9.96989 18.5505 numMergedOcc 0
13 mol 258 unq 1 iso 0 dist 7.44607 4.77595 9.51311 3.73759 4.57246 7.61474 numMergedOcc 0
14 mol 282 unq 0 iso 0 dist 8.64036 10.945 9.96468 8.21483 7.44686 12.0022 numMergedOcc 0
15 mol 282 unq 1 iso 0 dist 8.64036 10.945 9.96468 11.5175 9.82855 15.6856 numMergedOcc 0
16 mol 282 unq 2 iso 0 dist 8.64036 10.945 9.96468 12.9668 8.62579 12.0509 numMergedOcc 0
17 mol 282 unq 3 iso 0 dist 8.64036 12.1895 9.59817 8.21483 7.44686 14.6345 numMergedOcc 0
18 mol 282 unq 4 iso 0 dist 8.64036 12.1895 9.59817 11.5175 9.82855 18.1015 numMergedOcc 0
19 mol 282 unq 5 iso 0 dist 8.64036 12.1895 9.59817 12.9668 8.62579 14.8528 numMergedOcc 0
