0 mol 13 unq 0 iso 0 dist 5.37391 5.07585 6.11444 4.17261 8.47514 6.70295 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 5.37391 5.07585 6.11444 6.68749 7.39086 5.61058 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.52295 4.99287 7.32236 11.8286 9.07906 13.1056 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 9.52295 4.99287 7.32236 12.381 8.75567 13.0177 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.00709 7.47787 6.32539 10.3841 7.11686 11.3368 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 6.00709 7.47787 6.32539 12.947 9.43467 10.4389 numMergedOcc 0
6 mol 54 unq 2 iso 0 dist 6.00709 7.47787 6.32539 10.3082 8.41018 4.12189 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 7.70787 5.89334 9.8821 10.9651 5.62694 13.5661 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 7.70787 6.63464 8.80003 10.9651 5.62694 11.1406 numMergedOcc 0
9 mol 120 unq 0 iso 0 dist 9.13829 7.77274 6.14769 9.32263 8.5457 10.5565 numMergedOcc 0
10 mol 120 unq 1 iso 0 dist 9.13829 7.77274 6.14769 9.45514 6.7928 6.75714 numMergedOcc 0
11 mol 120 unq 2 iso 0 dist 9.13829 7.77274 6.14769 11.5746 7.59189 4.93797 numMergedOcc 0
12 mol 120 unq 3 iso 0 dist 5.90276 4.95 6.14769 5.95039 8.5457 10.5565 numMergedOcc 0
13 mol 120 unq 4 iso 0 dist 5.90276 4.95 6.14769 4.09501 6.7928 6.75714 numMergedOcc 0
14 mol 120 unq 5 iso 0 dist 5.90276 4.95 6.14769 6.81436 7.59189 4.93797 numMergedOcc 0
15 mol 120 unq 6 iso 0 dist 8.565 8.23429 6.14769 14.645 8.5457 10.5565 numMergedOcc 0
16 mol 120 unq 7 iso 0 dist 8.565 8.23429 6.14769 10.2082 6.7928 6.75714 numMergedOcc 0
17 mol 120 unq 8 iso 0 dist 8.565 8.23429 6.14769 6.13307 7.59189 4.93797 numMergedOcc 0
18 mol 132 unq 0 iso 0 dist 5.25894 4.21327 7.28945 4.90475 5.36351 5.28089 numMergedOcc 0
19 mol 152 unq 0 iso 0 dist 9.06801 4.81561 9.17101 11.1874 8.86966 13.793 numMergedOcc 0
20 mol 152 unq 1 iso 0 dist 9.06801 4.81561 9.17101 8.36099 5.7527 11.2124 numMergedOcc 0
21 mol 167 unq 0 iso 0 dist 6.00793 9.13316 9.50912 9.57777 6.85239 10.5479 numMergedOcc 0
22 mol 167 unq 1 iso 0 dist 6.00793 9.13316 9.50912 8.66436 5.72735 6.45463 numMergedOcc 0
23 mol 167 unq 2 iso 0 dist 6.00793 4.4 5.74367 9.57777 6.85239 5.74656 numMergedOcc 0
24 mol 167 unq 3 iso 0 dist 6.00793 4.4 5.74367 8.66436 5.72735 6.67469 numMergedOcc 0
25 mol 218 unq 0 iso 0 dist 6.02521 5.77737 9.94807 4.94196 6.48765 6.69102 numMergedOcc 0
26 mol 249 unq 0 iso 0 dist 5.68936 7.08836 5.89339 4.24014 7.27415 4.77325 numMergedOcc 0
27 mol 276 unq 0 iso 0 dist 6.11207 4.54046 8.18835 10.8564 8.75833 9.50779 numMergedOcc 0
28 mol 276 unq 1 iso 0 dist 6.11207 6.22177 9.35239 10.8564 8.75833 11.6175 numMergedOcc 0
29 mol 282 unq 0 iso 0 dist 6.96758 6.48043 5.62135 12.271 8.76788 7.72959 numMergedOcc 0
30 mol 283 unq 0 iso 0 dist 7.81415 4.01355 4.1631 11.0354 8.25636 8.37369 numMergedOcc 0
31 mol 287 unq 0 iso 0 dist 6.08044 8.76196 9.82863 9.67708 9.29241 12.5774 numMergedOcc 0
32 mol 287 unq 1 iso 0 dist 8.8956 10.0477 9.82863 15.5716 9.29241 12.5774 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 6.08044 8.76196 9.82863 9.67708 9.29241 12.5774 numMergedOcc 0
34 mol 288 unq 1 iso 0 dist 8.8956 10.0477 9.82863 15.5716 9.29241 12.5774 numMergedOcc 0
35 mol 289 unq 0 iso 0 dist 6.08044 8.76196 9.82863 9.67708 9.29241 12.5774 numMergedOcc 0
36 mol 289 unq 1 iso 0 dist 8.8956 10.0477 9.82863 15.5716 9.29241 12.5774 numMergedOcc 0
