0 mol 7 unq 0 iso 0 dist 9.02869 4.91115 7.11539 9.89388 6.44558 6.14469 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 8.03458 6.61479 9.88507 9.03951 11.04 5.59965 numMergedOcc 0
2 mol 10 unq 1 iso 0 dist 9.29504 12.9719 9.39017 14.3572 12.4032 5.59965 numMergedOcc 0
3 mol 12 unq 0 iso 0 dist 6.6051 13.5603 9.52857 15.1974 10.1802 5.76024 numMergedOcc 0
4 mol 12 unq 1 iso 0 dist 6.6051 13.5603 9.52857 14.8024 11.8349 7.92714 numMergedOcc 0
5 mol 12 unq 2 iso 0 dist 6.6051 13.5603 9.52857 19.2565 13.1322 8.47217 numMergedOcc 0
6 mol 12 unq 3 iso 0 dist 8.15864 4.40652 9.52857 8.18296 10.1802 5.76024 numMergedOcc 0
7 mol 12 unq 4 iso 0 dist 8.15864 4.40652 9.52857 7.99569 11.8349 7.92714 numMergedOcc 0
8 mol 12 unq 5 iso 0 dist 8.15864 4.40652 9.52857 12.4882 13.1322 8.47217 numMergedOcc 0
9 mol 15 unq 0 iso 0 dist 9.05123 11.9755 8.3794 10.8743 7.49229 6.03257 numMergedOcc 0
10 mol 15 unq 1 iso 0 dist 9.09251 12.1533 8.37378 11.5902 7.11548 6.03257 numMergedOcc 0
11 mol 48 unq 0 iso 0 dist 9.40644 11.0398 7.66163 18.3273 11.2238 8.29857 numMergedOcc 0
12 mol 48 unq 1 iso 0 dist 5.35252 11.0398 9.48288 18.3273 15.6905 8.29857 numMergedOcc 0
13 mol 48 unq 2 iso 0 dist 5.06188 11.0408 9.16212 18.3262 15.6648 8.19993 numMergedOcc 0
14 mol 79 unq 0 iso 0 dist 8.61089 5.37898 5.33546 15.1365 9.40625 9.78384 numMergedOcc 0
15 mol 79 unq 1 iso 0 dist 8.64686 8.69896 5.33546 9.21479 9.40625 9.78384 numMergedOcc 0
16 mol 91 unq 0 iso 0 dist 8.91354 12.671 7.12701 6.93893 5.06999 8.66165 numMergedOcc 0
17 mol 116 unq 0 iso 0 dist 6.53824 10.4136 8.3971 9.2638 10.5909 8.38606 numMergedOcc 0
18 mol 116 unq 1 iso 0 dist 6.61973 10.4136 6.74026 9.2638 6.2875 8.38606 numMergedOcc 0
19 mol 129 unq 0 iso 0 dist 9.52061 5.9261 6.52844 7.32407 7.72162 9.73158 numMergedOcc 0
20 mol 129 unq 1 iso 0 dist 9.52061 5.9261 6.52844 6.48695 7.95267 7.59327 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 9.40718 14.1039 9.2933 14.0071 5.10499 7.22883 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 7.91838 6.10456 4.65126 10.977 4.78938 6.21159 numMergedOcc 0
23 mol 192 unq 0 iso 0 dist 6.2016 13.2917 8.14859 20.3493 14.4054 8.26288 numMergedOcc 0
24 mol 192 unq 1 iso 0 dist 6.2016 13.2917 8.14859 15.2501 9.72372 6.60053 numMergedOcc 0
25 mol 192 unq 2 iso 0 dist 6.2016 10.3343 5.62421 15.2501 9.72372 9.36796 numMergedOcc 0
26 mol 220 unq 0 iso 0 dist 6.39087 5.45485 5.75839 14.0933 9.70769 9.73541 numMergedOcc 0
27 mol 220 unq 1 iso 0 dist 9.86144 4.69132 5.75839 13.6174 9.70769 9.73541 numMergedOcc 0
28 mol 249 unq 0 iso 0 dist 8.00386 11.2425 9.58168 14.5069 9.38829 5.9627 numMergedOcc 0
29 mol 250 unq 0 iso 0 dist 7.89067 4.45246 5.92578 13.5956 8.13148 9.70149 numMergedOcc 0
30 mol 266 unq 0 iso 0 dist 9.0836 8.25534 9.34312 15.0873 14.8724 7.00243 numMergedOcc 0
31 mol 273 unq 0 iso 0 dist 5.78262 7.10817 9.16554 12.7295 11.4694 7.16346 numMergedOcc 0
32 mol 277 unq 0 iso 0 dist 6.66936 5.41599 9.35976 10.7239 10.7039 8.20644 numMergedOcc 0
33 mol 277 unq 1 iso 0 dist 8.15119 12.7485 9.35976 16.5347 10.7039 8.20644 numMergedOcc 0
