0 mol 16 unq 0 iso 0 dist 8.17898 5.36911 5.30082 8.17747 9.30471 9.78197 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 6.53817 9.78918 5.67637 11.2244 8.58312 7.8304 numMergedOcc 0
2 mol 17 unq 1 iso 0 dist 6.53817 6.80314 4.03817 11.2244 8.58312 5.74567 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 6.85305 8.58962 8.04976 11.8192 7.78892 14.0099 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 5.54343 9.23947 6.21578 8.45243 8.75668 5.94373 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 8.64208 9.42982 9.67324 4.94708 9.2223 12.4845 numMergedOcc 0
6 mol 67 unq 1 iso 0 dist 8.64208 8.17929 14.5039 4.94708 9.2223 12.7018 numMergedOcc 0
7 mol 67 unq 2 iso 0 dist 8.64208 5.63802 13.6485 4.94708 9.2223 9.71705 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 9.89021 8.3768 10.9261 7.87577 5.36012 12.9306 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 9.89021 8.3768 10.9261 10.5032 6.3777 14.8573 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 9.89021 8.13535 14.3261 7.87577 5.36012 14.892 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 9.89021 8.13535 14.3261 10.5032 6.3777 17.1621 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 5.49623 9.22889 6.54837 10.1574 8.0139 12.6483 numMergedOcc 0
13 mol 140 unq 0 iso 0 dist 9.41832 6.58859 11.9251 6.00504 8.67876 9.04575 numMergedOcc 0
14 mol 140 unq 1 iso 0 dist 5.44596 6.58859 8.5945 6.00504 9.11235 9.04575 numMergedOcc 0
15 mol 140 unq 2 iso 0 dist 9.69069 6.58859 6.84624 6.00504 8.15118 9.04575 numMergedOcc 0
16 mol 155 unq 0 iso 0 dist 8.66709 9.83653 6.3363 5.55092 8.57712 11.2774 numMergedOcc 0
17 mol 162 unq 0 iso 0 dist 9.42819 6.80226 10.1865 7.51816 7.69229 12.8918 numMergedOcc 0
18 mol 171 unq 0 iso 0 dist 6.01711 6.4751 11.5561 6.8538 7.73971 11.6947 numMergedOcc 0
19 mol 171 unq 1 iso 0 dist 6.01711 5.75085 10.844 6.8538 7.73971 12.2237 numMergedOcc 0
20 mol 173 unq 0 iso 0 dist 8.70197 8.79135 4.98294 5.7308 9.80037 12.1036 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 7.7292 8.82861 5.86489 15.6012 9.44947 7.59757 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 8.9077 7.46122 7.11498 8.20682 5.39218 10.6444 numMergedOcc 0
23 mol 261 unq 0 iso 0 dist 7.6414 6.45102 6.18925 7.98909 7.00833 10.4211 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 5.17586 9.24164 11.5885 7.77606 9.24472 8.07169 numMergedOcc 0
