0 mol 24 unq 0 iso 0 dist 9.41441 7.95042 10.0453 15.4638 14.8722 7.7447 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 7.07339 7.16132 7.06251 6.91496 13.1774 9.41463 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 7.23317 7.16132 3.81228 6.91496 11.0484 9.41463 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 7.56205 9.69044 4.09232 14.3608 8.21895 9.19512 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 4.74544 6.9103 4.09232 5.9487 8.21895 9.19512 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 7.26024 6.17207 3.85627 12.0839 12.44 9.63906 numMergedOcc 0
6 mol 68 unq 1 iso 0 dist 7.26024 6.17207 3.85627 10.0156 11.1185 7.71872 numMergedOcc 0
7 mol 68 unq 2 iso 0 dist 6.36086 6.17207 7.15683 12.0839 16.364 9.63906 numMergedOcc 0
8 mol 68 unq 3 iso 0 dist 6.36086 6.17207 7.15683 10.0156 14.1872 7.71872 numMergedOcc 0
9 mol 69 unq 0 iso 0 dist 9.97775 6.9362 5.1678 10.8149 10.9816 9.08745 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 9.49454 8.27883 15.7954 4.73066 13.7457 4.3439 numMergedOcc 0
11 mol 95 unq 1 iso 0 dist 9.49454 5.75428 10.4348 4.73066 13.7457 6.05855 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 8.8822 8.80934 7.1951 13.0914 9.34113 4.30875 numMergedOcc 0
13 mol 113 unq 1 iso 0 dist 8.8822 8.80934 7.1951 12.5818 14.2952 8.65807 numMergedOcc 0
14 mol 113 unq 2 iso 0 dist 9.66219 8.80934 3.84573 13.0914 5.35711 4.30875 numMergedOcc 0
15 mol 113 unq 3 iso 0 dist 9.66219 8.80934 3.84573 12.5818 11.8845 8.65807 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 7.78652 5.40637 10.0079 6.75249 13.6073 6.60366 numMergedOcc 0
17 mol 143 unq 1 iso 0 dist 8.91301 5.40637 9.05366 6.75249 12.9862 6.60366 numMergedOcc 0
18 mol 168 unq 0 iso 0 dist 7.44629 6.02086 4.02702 12.7437 6.12453 8.21227 numMergedOcc 0
19 mol 184 unq 0 iso 0 dist 6.42735 5.96423 4.67256 5.03539 7.02762 5.23187 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 8.73217 6.61112 4.03697 12.2442 12.0142 9.17458 numMergedOcc 0
21 mol 186 unq 1 iso 0 dist 8.73217 6.61112 4.03697 11.7398 9.5207 7.36794 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 6.03688 6.52816 5.28417 6.49049 5.59832 4.97301 numMergedOcc 0
23 mol 213 unq 0 iso 0 dist 7.37798 8.21793 8.75651 4.67313 10.7796 9.02881 numMergedOcc 0
24 mol 213 unq 1 iso 0 dist 7.73322 8.21793 8.99471 4.67313 8.59946 9.02881 numMergedOcc 0
25 mol 222 unq 0 iso 0 dist 9.07471 6.74196 4.67663 5.17002 13.4403 9.79673 numMergedOcc 0
26 mol 222 unq 1 iso 0 dist 9.07471 6.74196 4.67663 6.70898 9.30639 6.39673 numMergedOcc 0
27 mol 222 unq 2 iso 0 dist 9.07471 8.36842 6.37382 6.70898 9.30639 7.80676 numMergedOcc 0
28 mol 235 unq 0 iso 0 dist 8.69356 6.29377 5.2878 3.99115 8.73715 8.60314 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 9.65934 7.45616 5.97664 3.65199 9.25759 4.93516 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 9.65934 7.45616 5.97664 3.65199 9.25759 4.93516 numMergedOcc 0
31 mol 289 unq 0 iso 0 dist 9.65934 7.45616 5.97664 3.65199 9.25759 4.93516 numMergedOcc 0
