0 mol 34 unq 0 iso 0 dist 8.87762 12.9926 7.18022 8.21762 3.39994 6.24711 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 8.21762 12.9926 6.24711 8.87762 3.39994 7.18022 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.85892 11.4473 8.72682 15.2567 11.9298 6.45841 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 8.85892 11.4473 8.72682 12.1163 9.76138 5.61588 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 8.85892 11.4473 8.72682 9.33951 5.81659 7.83244 numMergedOcc 0
5 mol 89 unq 0 iso 0 dist 8.54514 12.1722 7.47974 13.4015 7.04263 6.53308 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 5.15951 7.41993 7.86666 10.1183 7.49425 6.29161 numMergedOcc 0
7 mol 142 unq 0 iso 0 dist 9.64785 12.444 7.81207 17.5501 13.4681 7.18002 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 9.77567 5.29694 6.59889 12.0236 3.55572 8.9192 numMergedOcc 0
9 mol 162 unq 0 iso 0 dist 9.19254 4.7924 7.37333 10.6659 3.77838 7.45998 numMergedOcc 0
10 mol 220 unq 0 iso 0 dist 9.72819 9.58096 9.20104 14.0321 5.77461 9.58404 numMergedOcc 0
11 mol 220 unq 1 iso 0 dist 8.87401 6.94835 9.20104 12.6146 5.77461 9.58404 numMergedOcc 0
12 mol 220 unq 2 iso 0 dist 8.86035 7.36035 9.20104 5.83372 5.77461 9.58404 numMergedOcc 0
13 mol 220 unq 3 iso 0 dist 5.83372 7.36035 9.58404 8.86035 5.77461 9.20104 numMergedOcc 0
14 mol 220 unq 4 iso 0 dist 9.82471 10.4268 9.58404 12.4568 5.77461 9.20104 numMergedOcc 0
15 mol 222 unq 0 iso 0 dist 7.79613 5.02064 5.56538 9.22657 3.58181 7.48954 numMergedOcc 0
16 mol 222 unq 1 iso 0 dist 9.06892 10.0163 6.74196 15.3517 8.10209 8.36842 numMergedOcc 0
17 mol 222 unq 2 iso 0 dist 9.06892 10.0163 6.74196 17.6389 9.49218 9.75472 numMergedOcc 0
18 mol 222 unq 3 iso 0 dist 8.54373 10.362 8.36842 10.5257 8.10209 6.74196 numMergedOcc 0
19 mol 222 unq 4 iso 0 dist 8.54373 10.362 8.36842 12.0769 3.53707 9.75472 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 6.20862 9.6289 6.50998 12.3704 8.05944 9.09424 numMergedOcc 0
21 mol 225 unq 1 iso 0 dist 6.20862 9.6289 6.50998 17.1765 13.7858 8.14831 numMergedOcc 0
22 mol 225 unq 2 iso 0 dist 7.27888 5.92569 6.50998 9.0254 8.05944 9.09424 numMergedOcc 0
23 mol 225 unq 3 iso 0 dist 7.27888 5.92569 6.50998 9.95233 13.7858 8.14831 numMergedOcc 0
24 mol 225 unq 4 iso 0 dist 9.0254 5.92569 9.09424 7.27888 8.05944 6.50998 numMergedOcc 0
25 mol 225 unq 5 iso 0 dist 9.0254 5.92569 9.09424 9.95233 11.2712 8.14831 numMergedOcc 0
26 mol 225 unq 6 iso 0 dist 4.58113 6.87089 8.14831 11.9563 13.7858 6.50998 numMergedOcc 0
27 mol 225 unq 7 iso 0 dist 4.58113 6.87089 8.14831 11.0376 11.2712 9.09424 numMergedOcc 0
28 mol 243 unq 0 iso 0 dist 6.02146 11.8651 8.67156 11.3776 6.67199 7.10671 numMergedOcc 0
29 mol 259 unq 0 iso 0 dist 9.93282 5.69584 5.85442 8.90555 3.51848 6.95511 numMergedOcc 0
30 mol 259 unq 1 iso 0 dist 9.93282 15.3167 6.9899 16.5308 8.0048 8.03219 numMergedOcc 0
31 mol 259 unq 2 iso 0 dist 8.90555 5.69584 6.95511 9.93282 3.51848 5.85442 numMergedOcc 0
32 mol 259 unq 3 iso 0 dist 6.93417 5.07898 7.66153 10.1791 10.3051 9.63573 numMergedOcc 0
33 mol 292 unq 0 iso 0 dist 8.71745 9.92863 9.9886 14.0043 8.10966 9.90967 numMergedOcc 0
