0 mol 58 unq 0 iso 0 dist 7.60018 8.88313 10.2297 5.48837 4.72216 5.96988 numMergedOcc 0
1 mol 58 unq 0 iso 1 dist 7.60018 5.48837 4.72216 8.88313 10.2297 5.96988 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 7.03126 8.88313 11.7295 5.48837 5.77163 5.96988 numMergedOcc 0
3 mol 58 unq 1 iso 1 dist 7.03126 5.48837 5.77163 8.88313 11.7295 5.96988 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 8.67634 7.92479 13.5062 7.86646 4.83079 10.472 numMergedOcc 0
5 mol 59 unq 0 iso 1 dist 8.67634 7.86646 4.83079 7.92479 13.5062 10.472 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 5.47706 7.03887 6.99884 5.36451 3.75261 3.24688 numMergedOcc 0
7 mol 78 unq 0 iso 1 dist 5.47706 5.36451 3.75261 7.03887 6.99884 3.24688 numMergedOcc 0
8 mol 78 unq 1 iso 0 dist 5.47706 7.03887 6.99884 9.28354 10.6388 4.60796 numMergedOcc 0
9 mol 78 unq 1 iso 1 dist 5.47706 9.28354 10.6388 7.03887 6.99884 4.60796 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 5.47706 5.36451 3.75261 9.28354 10.6388 7.19832 numMergedOcc 0
11 mol 78 unq 1 iso 1 dist 5.47706 9.28354 10.6388 5.36451 3.75261 7.19832 numMergedOcc 0
12 mol 78 unq 2 iso 0 dist 8.89842 7.03887 14.1409 5.36451 11.1725 3.24688 numMergedOcc 0
13 mol 78 unq 2 iso 1 dist 8.89842 5.36451 11.1725 7.03887 14.1409 3.24688 numMergedOcc 0
14 mol 78 unq 3 iso 0 dist 8.89842 7.03887 14.1409 9.28354 17.572 4.60796 numMergedOcc 0
15 mol 78 unq 3 iso 1 dist 8.89842 9.28354 17.572 7.03887 14.1409 4.60796 numMergedOcc 0
16 mol 78 unq 3 iso 0 dist 8.89842 5.36451 11.1725 9.28354 17.572 7.19832 numMergedOcc 0
17 mol 78 unq 3 iso 1 dist 8.89842 9.28354 17.572 5.36451 11.1725 7.19832 numMergedOcc 0
18 mol 78 unq 4 iso 0 dist 8.07568 7.03887 4.75637 5.36451 5.62063 3.24688 numMergedOcc 0
19 mol 78 unq 4 iso 1 dist 8.07568 5.36451 5.62063 7.03887 4.75637 3.24688 numMergedOcc 0
20 mol 78 unq 5 iso 0 dist 8.07568 7.03887 4.75637 9.28354 3.81575 4.60796 numMergedOcc 0
21 mol 78 unq 5 iso 1 dist 8.07568 9.28354 3.81575 7.03887 4.75637 4.60796 numMergedOcc 0
22 mol 78 unq 5 iso 0 dist 8.07568 5.36451 5.62063 9.28354 3.81575 7.19832 numMergedOcc 0
23 mol 78 unq 5 iso 1 dist 8.07568 9.28354 3.81575 5.36451 5.62063 7.19832 numMergedOcc 0
24 mol 88 unq 0 iso 0 dist 5.28732 6.1847 5.06277 4.70557 5.70431 7.57886 numMergedOcc 0
25 mol 88 unq 0 iso 1 dist 5.28732 4.70557 5.70431 6.1847 5.06277 7.57886 numMergedOcc 0
26 mol 113 unq 0 iso 0 dist 5.29949 5.45882 8.39067 4.57487 7.44033 3.74304 numMergedOcc 0
27 mol 113 unq 0 iso 1 dist 5.29949 4.57487 7.44033 5.45882 8.39067 3.74304 numMergedOcc 0
28 mol 197 unq 0 iso 0 dist 9.27218 9.6071 13.3283 9.77656 17.435 9.2162 numMergedOcc 0
29 mol 197 unq 0 iso 1 dist 9.27218 9.77656 17.435 9.6071 13.3283 9.2162 numMergedOcc 0
30 mol 204 unq 0 iso 0 dist 5.3819 4.51124 5.80328 8.41517 3.68217 8.59834 numMergedOcc 0
31 mol 204 unq 0 iso 1 dist 5.3819 8.41517 3.68217 4.51124 5.80328 8.59834 numMergedOcc 0
32 mol 254 unq 0 iso 0 dist 9.66641 7.23916 8.8967 6.12653 10.929 3.15539 numMergedOcc 0
33 mol 254 unq 0 iso 1 dist 9.66641 6.12653 10.929 7.23916 8.8967 3.15539 numMergedOcc 0
34 mol 254 unq 1 iso 0 dist 9.26575 7.23916 9.42679 6.12653 10.706 3.15539 numMergedOcc 0
35 mol 254 unq 1 iso 1 dist 9.26575 6.12653 10.706 7.23916 9.42679 3.15539 numMergedOcc 0
36 mol 283 unq 0 iso 0 dist 9.60574 9.06774 13.7144 7.83424 3.12129 13.4236 numMergedOcc 0
37 mol 283 unq 0 iso 1 dist 9.60574 7.83424 3.12129 9.06774 13.7144 13.4236 numMergedOcc 0
38 mol 287 unq 0 iso 0 dist 8.59762 7.77225 9.67163 5.50067 3.66473 9.30266 numMergedOcc 0
39 mol 287 unq 0 iso 1 dist 8.59762 5.50067 3.66473 7.77225 9.67163 9.30266 numMergedOcc 0
40 mol 288 unq 0 iso 0 dist 8.59762 7.77225 9.67163 5.50067 3.66473 9.30266 numMergedOcc 0
41 mol 288 unq 0 iso 1 dist 8.59762 5.50067 3.66473 7.77225 9.67163 9.30266 numMergedOcc 0
42 mol 289 unq 0 iso 0 dist 8.59762 7.77225 9.67163 5.50067 3.66473 9.30266 numMergedOcc 0
43 mol 289 unq 0 iso 1 dist 8.59762 5.50067 3.66473 7.77225 9.67163 9.30266 numMergedOcc 0
