0 mol 58 unq 0 iso 0 dist 7.4785 5.98837 5.48837 8.41778 4.72216 7.60018 12.1872 5.96988 8.88313 10.2297 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 7.4785 5.98837 5.48837 5.38524 5.77163 7.03126 12.1872 5.96988 8.88313 11.7295 numMergedOcc 0
2 mol 58 unq 2 iso 0 dist 8.34191 4.55117 8.88313 9.97819 10.2297 7.60018 6.39747 5.96988 5.48837 4.72216 numMergedOcc 0
3 mol 58 unq 3 iso 0 dist 8.34191 4.55117 8.88313 8.69057 11.7295 7.03126 6.39747 5.96988 5.48837 5.77163 numMergedOcc 0
4 mol 58 unq 4 iso 0 dist 6.39747 4.55117 5.48837 9.97819 4.72216 7.60018 8.34191 5.96988 8.88313 10.2297 numMergedOcc 0
5 mol 58 unq 5 iso 0 dist 6.39747 4.55117 5.48837 8.69057 5.77163 7.03126 8.34191 5.96988 8.88313 11.7295 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 8.30217 14.9359 7.92479 19.7536 13.5062 8.67634 17.5124 10.472 7.86646 4.83079 numMergedOcc 0
7 mol 78 unq 0 iso 0 dist 7.91148 4.92509 7.03887 6.85523 6.99884 5.47706 6.59794 3.24688 5.36451 3.75261 numMergedOcc 0
8 mol 78 unq 1 iso 0 dist 7.91148 4.92509 7.03887 6.85523 6.99884 5.47706 8.34957 4.60796 9.28354 10.6388 numMergedOcc 0
9 mol 78 unq 2 iso 0 dist 7.91148 4.92509 7.03887 11.5776 14.1409 8.89842 6.59794 3.24688 5.36451 11.1725 numMergedOcc 0
10 mol 78 unq 3 iso 0 dist 7.91148 4.92509 7.03887 11.5776 14.1409 8.89842 8.34957 4.60796 9.28354 17.572 numMergedOcc 0
11 mol 78 unq 4 iso 0 dist 7.91148 4.92509 7.03887 5.77326 4.75637 8.07568 6.59794 3.24688 5.36451 5.62063 numMergedOcc 0
12 mol 78 unq 5 iso 0 dist 7.91148 4.92509 7.03887 5.77326 4.75637 8.07568 8.34957 4.60796 9.28354 3.81575 numMergedOcc 0
13 mol 78 unq 6 iso 0 dist 6.59794 4.92509 5.36451 6.85523 3.75261 5.47706 7.91148 3.24688 7.03887 6.99884 numMergedOcc 0
14 mol 78 unq 7 iso 0 dist 6.59794 4.92509 5.36451 6.85523 3.75261 5.47706 8.34957 7.19832 9.28354 10.6388 numMergedOcc 0
15 mol 78 unq 8 iso 0 dist 6.59794 4.92509 5.36451 11.5776 11.1725 8.89842 7.91148 3.24688 7.03887 14.1409 numMergedOcc 0
16 mol 78 unq 9 iso 0 dist 6.59794 4.92509 5.36451 11.5776 11.1725 8.89842 8.34957 7.19832 9.28354 17.572 numMergedOcc 0
17 mol 78 unq 10 iso 0 dist 6.59794 4.92509 5.36451 5.77326 5.62063 8.07568 7.91148 3.24688 7.03887 4.75637 numMergedOcc 0
18 mol 78 unq 11 iso 0 dist 6.59794 4.92509 5.36451 5.77326 5.62063 8.07568 8.34957 7.19832 9.28354 3.81575 numMergedOcc 0
19 mol 78 unq 12 iso 0 dist 8.34957 4.92509 9.28354 6.85523 10.6388 5.47706 7.91148 4.60796 7.03887 6.99884 numMergedOcc 0
20 mol 78 unq 13 iso 0 dist 8.34957 4.92509 9.28354 6.85523 10.6388 5.47706 6.59794 7.19832 5.36451 3.75261 numMergedOcc 0
21 mol 78 unq 14 iso 0 dist 8.34957 4.92509 9.28354 11.5776 17.572 8.89842 7.91148 4.60796 7.03887 14.1409 numMergedOcc 0
22 mol 78 unq 15 iso 0 dist 8.34957 4.92509 9.28354 11.5776 17.572 8.89842 6.59794 7.19832 5.36451 11.1725 numMergedOcc 0
23 mol 78 unq 16 iso 0 dist 8.34957 4.92509 9.28354 5.77326 3.81575 8.07568 7.91148 4.60796 7.03887 4.75637 numMergedOcc 0
24 mol 78 unq 17 iso 0 dist 8.34957 4.92509 9.28354 5.77326 3.81575 8.07568 6.59794 7.19832 5.36451 5.62063 numMergedOcc 0
25 mol 88 unq 0 iso 0 dist 9.07128 5.90098 6.1847 10.2942 5.06277 5.28732 6.65615 7.57886 4.70557 5.70431 numMergedOcc 0
26 mol 88 unq 1 iso 0 dist 6.65615 5.90098 4.70557 10.2942 5.70431 5.28732 9.07128 7.57886 6.1847 5.06277 numMergedOcc 0
27 mol 88 unq 2 iso 0 dist 5.07548 4.58465 4.70557 8.75244 5.70431 5.28732 10.3871 7.57886 6.1847 5.06277 numMergedOcc 0
28 mol 113 unq 0 iso 0 dist 8.99912 8.69934 5.45882 11.6298 8.39067 5.29949 11.4818 3.74304 4.57487 7.44033 numMergedOcc 0
29 mol 197 unq 0 iso 0 dist 9.23086 5.2908 9.77656 9.10817 17.435 9.27218 9.76879 9.2162 9.6071 13.3283 numMergedOcc 0
30 mol 197 unq 1 iso 0 dist 8.37086 10.5397 9.77656 15.5058 17.435 9.27218 13.8052 9.2162 9.6071 13.3283 numMergedOcc 0
31 mol 283 unq 0 iso 0 dist 9.07995 6.86733 9.06774 12.6023 13.7144 9.60574 12.3883 13.4236 7.83424 3.12129 numMergedOcc 0
32 mol 287 unq 0 iso 0 dist 9.18744 4.62998 7.77225 13.0848 9.67163 8.59762 10.1296 9.30266 5.50067 3.66473 numMergedOcc 0
33 mol 287 unq 1 iso 0 dist 5.30118 7.23534 5.50067 7.45616 3.66473 8.59762 13.0643 9.30266 7.77225 9.67163 numMergedOcc 0
34 mol 287 unq 2 iso 0 dist 8.98698 11.7115 5.50067 10.4299 3.66473 8.59762 17.6905 9.30266 7.77225 9.67163 numMergedOcc 0
35 mol 288 unq 0 iso 0 dist 9.18744 4.62998 7.77225 13.0848 9.67163 8.59762 10.1296 9.30266 5.50067 3.66473 numMergedOcc 0
36 mol 288 unq 1 iso 0 dist 5.30118 7.23534 5.50067 7.45616 3.66473 8.59762 13.0643 9.30266 7.77225 9.67163 numMergedOcc 0
37 mol 288 unq 2 iso 0 dist 8.98698 11.7115 5.50067 10.4299 3.66473 8.59762 17.6905 9.30266 7.77225 9.67163 numMergedOcc 0
38 mol 289 unq 0 iso 0 dist 9.18744 4.62998 7.77225 13.0848 9.67163 8.59762 10.1296 9.30266 5.50067 3.66473 numMergedOcc 0
39 mol 289 unq 1 iso 0 dist 5.30118 7.23534 5.50067 7.45616 3.66473 8.59762 13.0643 9.30266 7.77225 9.67163 numMergedOcc 0
40 mol 289 unq 2 iso 0 dist 8.98698 11.7115 5.50067 10.4299 3.66473 8.59762 17.6905 9.30266 7.77225 9.67163 numMergedOcc 0
