0 mol 69 unq 0 iso 0 dist 7.00234 9.56859 10.4187 8.04676 9.87102 17.2737 14.8167 15.7168 7.17133 22.1073 numMergedOcc 0
1 mol 69 unq 1 iso 0 dist 7.30652 5.75135 10.4187 14.2223 9.87102 17.2737 12.8471 15.7168 7.17133 22.1073 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 7.41861 6.46582 8.58474 9.68005 9.50939 7.66068 4.00834 7.48127 5.91098 11.6853 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 7.41861 6.46582 8.58474 9.68005 9.50939 7.66068 9.6911 11.1162 4.86523 4.94673 numMergedOcc 0
4 mol 83 unq 0 iso 0 dist 6.77845 9.94528 4.48523 5.31562 5.13041 7.50925 9.39588 7.2118 7.69755 4.12785 numMergedOcc 0
5 mol 83 unq 1 iso 0 dist 6.77845 9.94528 4.48523 5.31562 5.13041 7.50925 14.6472 11.3405 9.64197 9.58199 numMergedOcc 0
6 mol 83 unq 2 iso 0 dist 5.48555 8.94777 4.48523 8.56578 5.13041 7.50925 12.0034 7.2118 7.69755 4.12785 numMergedOcc 0
7 mol 83 unq 3 iso 0 dist 5.48555 8.94777 4.48523 8.56578 5.13041 7.50925 16.6651 11.3405 9.64197 9.58199 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.29249 7.33353 4.51052 6.21004 9.62106 8.55237 9.44377 7.70612 8.01266 4.65353 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 6.9268 4.82356 4.63862 8.4707 8.98028 11.1269 8.75242 5.79195 9.35049 4.37065 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 8.19166 8.83476 4.63862 6.42838 8.98028 11.1269 6.45333 5.79195 9.35049 4.37065 numMergedOcc 0
11 mol 167 unq 0 iso 0 dist 8.39087 8.95296 11.1876 3.72502 7.84707 12.2954 5.4173 11.2333 8.06817 8.14565 numMergedOcc 0
12 mol 192 unq 0 iso 0 dist 9.78743 5.05414 10.6325 16.7863 7.97601 16.8666 8.19854 10.4355 5.5223 14.1956 numMergedOcc 0
13 mol 192 unq 1 iso 0 dist 9.78743 5.05414 10.6325 16.7863 7.97601 16.8666 4.65303 12.4457 5.03588 18.0556 numMergedOcc 0
14 mol 192 unq 2 iso 0 dist 9.78743 7.16964 7.64178 16.7863 7.97601 14.3575 8.19854 10.4355 8.00501 14.1956 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 5.05912 8.93485 9.27501 9.4797 9.21286 16.1183 11.2438 12.9615 8.83628 20.629 numMergedOcc 0
16 mol 205 unq 1 iso 0 dist 6.60429 5.66636 9.27501 13.314 9.21286 16.1183 7.47443 12.9615 8.83628 20.629 numMergedOcc 0
17 mol 230 unq 0 iso 0 dist 5.19913 6.99256 3.86973 6.2863 9.62914 9.47092 6.28086 9.24729 8.01593 4.45276 numMergedOcc 0
18 mol 230 unq 1 iso 0 dist 5.19913 6.99256 3.86973 12.1033 9.73038 11.6163 6.28086 9.24729 8.01593 15.7177 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 9.80006 7.93375 3.94797 3.87565 9.03341 6.96692 5.54798 10.0796 6.48382 5.79323 numMergedOcc 0
20 mol 280 unq 0 iso 0 dist 6.16854 9.22665 6.10543 3.65986 8.7752 11.0216 9.13465 10.6331 7.00616 9.31319 numMergedOcc 0
21 mol 280 unq 1 iso 0 dist 6.16854 9.22665 6.10543 3.65986 8.7752 11.0216 14.2183 14.3004 9.19653 15.3825 numMergedOcc 0
