0 mol 25 unq 0 iso 0 dist 9.48085 12.1492 8.53931 17.793 9.2325 9.75219 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 9.49421 4.70708 8.53931 11.26 9.2325 9.75219 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 8.66539 10.8078 7.03126 17.9574 11.7295 8.88313 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 8.66539 10.8078 7.03126 12.8726 5.77163 5.48837 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 5.38524 5.98837 7.03126 12.1872 11.7295 8.88313 numMergedOcc 0
5 mol 58 unq 3 iso 0 dist 5.38524 5.98837 7.03126 7.4785 5.77163 5.48837 numMergedOcc 0
6 mol 58 unq 4 iso 0 dist 8.69057 4.55117 7.03126 8.34191 11.7295 8.88313 numMergedOcc 0
7 mol 58 unq 5 iso 0 dist 8.69057 4.55117 7.03126 6.39747 5.77163 5.48837 numMergedOcc 0
8 mol 58 unq 6 iso 0 dist 9.97769 10.3598 8.13051 16.1271 9.88975 8.55712 numMergedOcc 0
9 mol 58 unq 7 iso 0 dist 9.32706 6.00578 8.13051 12.3261 9.88975 8.55712 numMergedOcc 0
10 mol 58 unq 8 iso 0 dist 9.08221 11.6697 8.13051 17.8724 9.88975 8.55712 numMergedOcc 0
11 mol 78 unq 0 iso 0 dist 6.85523 4.92509 5.47706 7.91148 6.99884 7.03887 numMergedOcc 0
12 mol 78 unq 1 iso 0 dist 6.85523 4.92509 5.47706 6.59794 3.75261 5.36451 numMergedOcc 0
13 mol 78 unq 2 iso 0 dist 6.85523 4.92509 5.47706 8.34957 10.6388 9.28354 numMergedOcc 0
14 mol 78 unq 3 iso 0 dist 8.65848 5.22036 5.47706 12.2138 6.99884 7.03887 numMergedOcc 0
15 mol 78 unq 4 iso 0 dist 8.65848 5.22036 5.47706 10.167 3.75261 5.36451 numMergedOcc 0
16 mol 78 unq 5 iso 0 dist 8.65848 5.22036 5.47706 13.9695 10.6388 9.28354 numMergedOcc 0
17 mol 78 unq 6 iso 0 dist 7.25801 5.22036 8.89842 12.2138 14.1409 7.03887 numMergedOcc 0
18 mol 78 unq 7 iso 0 dist 7.25801 5.22036 8.89842 10.167 11.1725 5.36451 numMergedOcc 0
19 mol 78 unq 8 iso 0 dist 7.25801 5.22036 8.89842 13.9695 17.572 9.28354 numMergedOcc 0
20 mol 78 unq 9 iso 0 dist 5.77326 4.92509 8.07568 7.91148 4.75637 7.03887 numMergedOcc 0
21 mol 78 unq 10 iso 0 dist 5.77326 4.92509 8.07568 6.59794 5.62063 5.36451 numMergedOcc 0
22 mol 78 unq 11 iso 0 dist 5.77326 4.92509 8.07568 8.34957 3.81575 9.28354 numMergedOcc 0
23 mol 79 unq 0 iso 0 dist 9.76379 5.59971 6.52939 12.4904 5.9297 9.11491 numMergedOcc 0
24 mol 114 unq 0 iso 0 dist 5.7144 6.95201 5.51885 12.7678 8.25866 7.93956 numMergedOcc 0
25 mol 143 unq 0 iso 0 dist 7.36975 5.44503 8.18023 8.99891 14.4074 8.08798 numMergedOcc 0
26 mol 143 unq 1 iso 0 dist 5.40637 5.44503 7.46803 8.99891 5.94217 8.08798 numMergedOcc 0
27 mol 181 unq 0 iso 0 dist 6.64173 6.7991 9.09234 8.29467 5.09584 6.91878 numMergedOcc 0
28 mol 181 unq 1 iso 0 dist 9.01624 6.7991 6.76746 8.29467 11.4645 6.91878 numMergedOcc 0
29 mol 181 unq 2 iso 0 dist 9.55105 6.7991 8.92098 8.29467 11.5807 6.91878 numMergedOcc 0
30 mol 181 unq 3 iso 0 dist 5.05973 8.35755 6.76746 14.7884 11.4645 6.91878 numMergedOcc 0
31 mol 184 unq 0 iso 0 dist 6.73504 6.47974 7.59939 15.1746 11.8486 9.46392 numMergedOcc 0
32 mol 197 unq 0 iso 0 dist 9.10817 5.2908 9.27218 9.76879 13.3283 9.6071 numMergedOcc 0
33 mol 197 unq 1 iso 0 dist 9.10817 5.2908 9.27218 9.23086 17.435 9.77656 numMergedOcc 0
34 mol 197 unq 2 iso 0 dist 6.86828 6.23998 9.27218 13.9156 13.3283 9.6071 numMergedOcc 0
35 mol 197 unq 3 iso 0 dist 6.86828 6.23998 9.27218 13.9122 17.435 9.77656 numMergedOcc 0
36 mol 214 unq 0 iso 0 dist 7.46481 6.67959 8.70987 12.5607 17.4152 9.86587 numMergedOcc 0
37 mol 225 unq 0 iso 0 dist 8.1945 10.7506 8.91356 18.3753 14.9585 9.27079 numMergedOcc 0
38 mol 225 unq 1 iso 0 dist 6.50998 8.69249 8.91356 13.8828 14.9585 9.27079 numMergedOcc 0
39 mol 259 unq 0 iso 0 dist 5.85442 5.79468 6.23661 11.9533 11.169 9.28024 numMergedOcc 0
40 mol 259 unq 1 iso 0 dist 8.03219 5.31048 8.84648 11.1801 6.12744 9.28024 numMergedOcc 0
41 mol 259 unq 2 iso 0 dist 6.9899 5.31048 6.23661 11.1801 11.169 9.28024 numMergedOcc 0
42 mol 274 unq 0 iso 0 dist 6.4611 5.31116 6.66172 13.2967 10.6981 9.85661 numMergedOcc 0
43 mol 287 unq 0 iso 0 dist 7.45616 7.23534 8.59762 13.0643 9.67163 7.77225 numMergedOcc 0
44 mol 287 unq 1 iso 0 dist 7.45616 7.23534 8.59762 5.30118 3.66473 5.50067 numMergedOcc 0
45 mol 288 unq 0 iso 0 dist 7.45616 7.23534 8.59762 13.0643 9.67163 7.77225 numMergedOcc 0
46 mol 288 unq 1 iso 0 dist 7.45616 7.23534 8.59762 5.30118 3.66473 5.50067 numMergedOcc 0
47 mol 289 unq 0 iso 0 dist 7.45616 7.23534 8.59762 13.0643 9.67163 7.77225 numMergedOcc 0
48 mol 289 unq 1 iso 0 dist 7.45616 7.23534 8.59762 5.30118 3.66473 5.50067 numMergedOcc 0
49 mol 292 unq 0 iso 0 dist 9.74118 5.98906 6.1905 9.82511 5.36842 3.93401 numMergedOcc 0
50 mol 292 unq 1 iso 0 dist 9.46442 12.1551 5.84792 9.96374 3.08474 3.93401 numMergedOcc 0
51 mol 292 unq 2 iso 0 dist 9.9182 18.0293 8.73515 15.9302 6.12546 3.93401 numMergedOcc 0
52 mol 292 unq 3 iso 0 dist 7.30758 12.1551 8.73515 9.96374 6.12546 3.93401 numMergedOcc 0
53 mol 292 unq 4 iso 0 dist 9.10788 10.8709 8.73515 11.6796 6.12546 3.93401 numMergedOcc 0
