0 mol 34 unq 0 iso 0 dist 9.18109 7.36836 15.1968 5.80438 6.40741 12.9209 9.98585 6.71226 16.2037 8.58962 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 9.18109 7.36836 15.1968 5.80438 6.40741 12.9209 14.2191 5.64203 20.7301 9.95325 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 6.23298 8.4702 11.6017 7.29309 9.30836 13.7596 9.59265 7.28199 13.2822 7.41937 numMergedOcc 0
3 mol 67 unq 1 iso 0 dist 6.23298 8.4702 11.6017 7.29309 9.30836 13.7596 8.34804 10.2575 8.43533 8.17929 numMergedOcc 0
4 mol 67 unq 2 iso 0 dist 6.23298 8.4702 11.6017 4.31746 6.58279 10.0501 9.59265 7.28199 13.2822 6.07108 numMergedOcc 0
5 mol 67 unq 3 iso 0 dist 6.23298 8.4702 11.6017 4.31746 6.58279 10.0501 8.34804 10.2575 8.43533 5.63802 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 6.71671 5.53454 5.59536 4.1431 9.5002 5.51053 10.3436 9.44733 5.9186 9.6403 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 9.79844 6.3323 5.26527 17.8562 9.10677 13.9958 11.2018 5.74375 7.14798 9.13614 numMergedOcc 0
8 mol 147 unq 0 iso 0 dist 6.00651 8.76449 6.99467 7.38323 5.08863 9.59327 9.21476 4.93993 9.03848 9.77522 numMergedOcc 0
9 mol 147 unq 1 iso 0 dist 6.00651 8.36182 4.53687 7.38323 5.08863 8.51399 9.21476 4.93993 5.58015 9.77522 numMergedOcc 0
10 mol 148 unq 0 iso 0 dist 5.55129 6.81449 8.33576 5.03347 7.32163 11.6262 10.9866 6.51997 14.2262 9.77704 numMergedOcc 0
11 mol 162 unq 0 iso 0 dist 9.51731 9.067 3.57652 7.15755 8.62413 5.67088 14.7169 9.75316 7.86779 9.31025 numMergedOcc 0
12 mol 162 unq 1 iso 0 dist 9.51731 9.067 3.57652 7.15755 8.62413 5.67088 8.37231 3.96207 5.29862 9.0087 numMergedOcc 0
13 mol 217 unq 0 iso 0 dist 5.89788 8.99517 5.14933 10.7793 6.14304 9.81531 8.80103 5.21449 5.32856 7.63191 numMergedOcc 0
14 mol 232 unq 0 iso 0 dist 6.11539 8.54126 3.79439 9.74489 6.67239 9.89191 12.252 6.32212 6.92845 6.83927 numMergedOcc 0
15 mol 232 unq 1 iso 0 dist 6.11539 8.54126 3.79439 6.70882 6.23146 9.83281 12.252 6.32212 6.92845 9.25162 numMergedOcc 0
16 mol 232 unq 2 iso 0 dist 9.71082 9.33969 13.4178 16.2642 6.67239 19.247 14.4927 6.32212 14.2537 6.83927 numMergedOcc 0
17 mol 232 unq 3 iso 0 dist 9.71082 9.33969 13.4178 14.3107 6.23146 19.1135 14.4927 6.32212 14.2537 9.25162 numMergedOcc 0
18 mol 232 unq 4 iso 0 dist 9.71082 7.64079 3.79439 16.2642 6.67239 9.89191 14.4927 6.32212 6.92845 6.83927 numMergedOcc 0
19 mol 232 unq 5 iso 0 dist 9.71082 7.64079 3.79439 14.3107 6.23146 9.83281 14.4927 6.32212 6.92845 9.25162 numMergedOcc 0
20 mol 294 unq 0 iso 0 dist 5.27236 7.48987 4.99494 7.33654 6.1268 9.93413 8.55037 9.06411 13.8815 7.14502 numMergedOcc 0
21 mol 294 unq 1 iso 0 dist 5.27236 8.35637 9.15036 7.33654 6.1268 14.0663 8.55037 9.06411 12.3727 7.14502 numMergedOcc 0
