0 mol 0 unq 0 iso 0 dist 9.23213 6.26831 4.04089 12.9149 8.66548 10.8612 numMergedOcc 0
1 mol 1 unq 0 iso 0 dist 8.56884 6.09918 8.78328 4.50502 5.96833 7.27254 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 6.85412 9.78006 7.98363 5.84314 9.71516 7.05919 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 6.33889 9.78006 10.4204 5.84314 9.81658 7.05919 numMergedOcc 0
4 mol 20 unq 0 iso 0 dist 6.4934 8.72023 6.31611 5.48225 5.9809 8.25405 numMergedOcc 0
5 mol 20 unq 1 iso 0 dist 6.4934 8.72023 6.31611 9.03258 5.83917 10.5895 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 9.16962 5.69955 4.80984 8.25132 5.84066 6.73167 numMergedOcc 0
7 mol 26 unq 1 iso 0 dist 6.73162 8.44506 8.13684 7.11305 9.96121 6.38243 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 8.19682 4.79949 8.83525 15.4159 9.4866 17.7033 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 8.19682 7.27693 5.77727 15.4159 9.4866 15.0426 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 5.87358 5.34214 5.94311 6.35679 8.38791 10.0098 numMergedOcc 0
11 mol 109 unq 1 iso 0 dist 9.20981 7.55384 5.94311 4.94189 8.38791 10.0098 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 9.63176 7.77116 8.96522 6.9194 6.55202 9.6121 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 9.63176 7.77116 8.96522 9.68677 9.08536 9.57341 numMergedOcc 0
14 mol 126 unq 0 iso 0 dist 7.75534 9.46588 5.83002 5.42561 8.7789 9.48975 numMergedOcc 0
15 mol 126 unq 1 iso 0 dist 7.75534 9.46588 5.83002 10.7549 9.93613 8.66815 numMergedOcc 0
16 mol 140 unq 0 iso 0 dist 8.19104 5.39064 5.39245 4.91618 6.88846 7.19291 numMergedOcc 0
17 mol 194 unq 0 iso 0 dist 5.48258 8.83356 7.69247 4.66791 7.10155 6.72182 numMergedOcc 0
18 mol 194 unq 1 iso 0 dist 5.48258 8.83356 7.69247 5.97754 6.11135 9.996 numMergedOcc 0
19 mol 194 unq 2 iso 0 dist 6.15769 8.83356 13.9521 5.97754 6.54481 9.996 numMergedOcc 0
20 mol 195 unq 0 iso 0 dist 8.36117 7.62942 9.08602 6.04871 5.87439 6.34234 numMergedOcc 0
21 mol 195 unq 1 iso 0 dist 6.77578 7.62942 8.18628 6.04871 8.18059 6.34234 numMergedOcc 0
22 mol 224 unq 0 iso 0 dist 8.19953 8.37597 8.5129 5.13732 5.73591 8.54702 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 9.62609 5.4694 5.23507 14.6485 9.8009 13.0314 numMergedOcc 0
24 mol 227 unq 1 iso 0 dist 8.17891 8.38865 5.92529 4.1511 7.79951 5.28771 numMergedOcc 0
25 mol 227 unq 2 iso 0 dist 6.95902 5.4694 5.92529 4.69247 7.79951 5.28771 numMergedOcc 0
26 mol 234 unq 0 iso 0 dist 6.25105 8.24186 13.0974 5.53885 7.36208 10.1303 numMergedOcc 0
27 mol 234 unq 1 iso 0 dist 9.5707 7.5366 16.5499 3.95629 8.27411 10.1303 numMergedOcc 0
28 mol 234 unq 2 iso 0 dist 9.5707 7.5366 16.5499 15.9732 6.96257 22.3541 numMergedOcc 0
29 mol 234 unq 3 iso 0 dist 7.85175 7.5366 13.0974 3.95629 7.36208 10.1303 numMergedOcc 0
30 mol 234 unq 4 iso 0 dist 6.16063 9.007 7.54397 13.1872 9.11572 10.0117 numMergedOcc 0
31 mol 272 unq 0 iso 0 dist 7.67853 9.05222 6.3139 5.12237 8.84523 10.6235 numMergedOcc 0
32 mol 272 unq 1 iso 0 dist 7.67853 9.05222 6.3139 5.41667 6.95241 10.2298 numMergedOcc 0
