0 mol 26 unq 0 iso 0 dist 8.36742 8.10028 6.92384 5.02457 6.70325 10.4308 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 7.07773 9.36493 13.9162 9.33491 5.68794 17.1285 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 7.07773 9.36493 13.9162 13.4367 8.9964 19.9048 numMergedOcc 0
3 mol 34 unq 2 iso 0 dist 7.07773 9.0665 9.25715 9.33491 5.68794 14.2933 numMergedOcc 0
4 mol 34 unq 3 iso 0 dist 7.07773 9.0665 9.25715 13.4367 8.9964 16.865 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 4.45433 6.50622 3.46822 5.42987 7.50229 10.009 numMergedOcc 0
6 mol 136 unq 0 iso 0 dist 6.60256 9.6351 3.53487 4.68491 8.71963 11.8336 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 7.57472 9.50762 12.1907 3.44158 5.28634 11.1922 numMergedOcc 0
8 mol 158 unq 0 iso 0 dist 5.78626 4.68068 3.19759 13.1628 9.98554 12.3204 numMergedOcc 0
9 mol 158 unq 1 iso 0 dist 4.68068 5.78626 3.19759 5.9798 9.04564 11.2866 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 8.07518 7.39733 5.16472 6.66501 8.76671 10.6352 numMergedOcc 0
11 mol 220 unq 0 iso 0 dist 8.67956 5.04072 10.2093 6.13765 8.06847 10.8027 numMergedOcc 0
12 mol 226 unq 0 iso 0 dist 7.67589 9.09854 3.3789 5.69565 9.01607 10.0785 numMergedOcc 0
13 mol 226 unq 1 iso 0 dist 5.94957 9.0523 3.3789 9.42716 9.01607 10.0785 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 7.14918 9.29322 12.7924 4.56036 4.44509 12.977 numMergedOcc 0
15 mol 239 unq 1 iso 0 dist 9.29322 7.14918 12.7924 13.9377 5.4687 15.8611 numMergedOcc 0
16 mol 254 unq 0 iso 0 dist 8.87934 9.66687 2.67738 5.25626 9.672 9.15233 numMergedOcc 0
17 mol 254 unq 1 iso 0 dist 9.66687 8.87934 2.67738 5.25626 9.15233 9.672 numMergedOcc 0
18 mol 254 unq 2 iso 0 dist 9.47133 7.61537 2.67738 5.12074 9.672 9.15233 numMergedOcc 0
19 mol 254 unq 3 iso 0 dist 7.61537 9.47133 2.67738 5.12074 9.15233 9.672 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 5.57978 6.92906 8.91869 10.2996 6.90511 14.9492 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 8.36585 9.2144 4.68872 12.0536 8.39976 8.21192 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 8.36585 9.2144 4.68872 12.0536 8.39976 8.21192 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 8.36585 9.2144 4.68872 12.0536 8.39976 8.21192 numMergedOcc 0
