0 mol 7 unq 0 iso 0 dist 9.20552 15.1647 8.41585 6.49868 7.88043 10.2446 11.1443 12.2041 10.5461 5.72491 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.94828 14.2406 7.57578 10.812 6.90155 9.36158 15.0254 10.6808 13.7311 5.81959 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.94828 15.6642 7.17969 10.812 6.90155 10.1525 15.0254 10.6808 12.9968 5.81959 numMergedOcc 0
3 mol 70 unq 0 iso 0 dist 9.49626 15.643 9.65964 6.85924 6.54023 9.03317 11.8044 5.22626 10.1773 9.31969 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.9795 9.53239 7.97049 11.5334 7.1589 6.37974 13.2455 4.26409 11.3023 8.00777 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 9.9795 13.0232 6.19965 11.5334 7.1589 5.08358 13.2455 4.26409 7.95579 8.00777 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 9.26438 5.68669 8.69985 12.3653 5.34214 9.14441 13.8343 4.98336 13.4572 7.55384 numMergedOcc 0
7 mol 109 unq 1 iso 0 dist 6.43255 6.80429 8.69985 5.55157 5.34214 9.14441 9.27088 4.98336 13.4572 7.55384 numMergedOcc 0
8 mol 109 unq 2 iso 0 dist 7.4389 12.3794 8.69985 3.56506 5.34214 9.14441 7.24527 4.98336 13.4572 7.55384 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 7.85583 4.38646 7.71338 11.1422 6.47042 10.0814 12.6172 4.8896 11.5121 6.78038 numMergedOcc 0
10 mol 112 unq 1 iso 0 dist 8.86938 4.9102 7.71338 13.5573 6.47042 10.0814 12.679 4.8896 11.5121 6.78038 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 8.27794 4.89429 9.09537 8.07046 7.20392 5.93488 10.4189 10.1912 5.98885 6.51749 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 8.77347 6.05728 7.54065 6.2749 7.20574 8.90184 10.7364 5.74635 8.87694 6.85302 numMergedOcc 0
13 mol 214 unq 0 iso 0 dist 7.94344 7.31014 8.82096 6.27546 8.46327 10.2399 13.0785 12.7897 16.7691 7.05523 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 8.97461 10.4685 6.22714 11.3332 5.64181 10.216 8.89487 6.85126 12.6642 7.61393 numMergedOcc 0
15 mol 238 unq 1 iso 0 dist 8.97461 11.6506 7.31233 11.3332 5.64181 7.83352 8.89487 6.85126 13.1583 7.61393 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 9.2067 9.88911 6.42289 5.00301 7.99477 7.42673 11.1938 7.26417 6.60405 6.70815 numMergedOcc 0
17 mol 258 unq 1 iso 0 dist 9.2067 9.88911 6.42289 5.99575 7.86627 6.44209 9.16078 5.30627 10.1675 7.93574 numMergedOcc 0
18 mol 264 unq 0 iso 0 dist 6.65233 7.78423 9.17653 6.79049 6.14323 13.0621 10.3349 4.92077 13.4025 6.04162 numMergedOcc 0
