0 mol 17 unq 0 iso 0 dist 8.59045 9.00893 3.8443 12.1865 6.5643 10.3726 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 5.84559 8.35273 11.7258 4.12287 6.64199 11.4665 numMergedOcc 0
2 mol 29 unq 0 iso 0 dist 8.84033 9.56672 3.92866 4.45723 9.03639 11.3266 numMergedOcc 0
3 mol 29 unq 1 iso 0 dist 8.84033 8.00338 9.09595 4.45723 9.03639 9.2087 numMergedOcc 0
4 mol 46 unq 0 iso 0 dist 6.64844 8.13664 6.81182 8.59614 7.44805 3.77542 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 9.05293 9.94133 8.46282 10.3999 6.64921 12.5014 numMergedOcc 0
6 mol 88 unq 0 iso 0 dist 7.45361 9.57352 9.76867 7.19267 5.60174 14.0875 numMergedOcc 0
7 mol 101 unq 0 iso 0 dist 8.70947 9.26699 12.7384 9.94084 8.2549 17.9744 numMergedOcc 0
8 mol 103 unq 0 iso 0 dist 7.4713 7.91691 3.95522 7.6171 9.70231 12.0557 numMergedOcc 0
9 mol 143 unq 0 iso 0 dist 6.35449 6.91039 3.66518 6.65884 9.31435 10.8164 numMergedOcc 0
10 mol 143 unq 1 iso 0 dist 6.35449 6.91039 3.66518 4.62104 6.38786 4.3855 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 8.39237 8.94445 13.4386 16.123 8.92335 22.2003 numMergedOcc 0
12 mol 212 unq 0 iso 0 dist 8.48834 9.67805 4.18876 14.0674 9.49715 12.7692 numMergedOcc 0
13 mol 225 unq 0 iso 0 dist 8.621 7.22151 11.0751 3.64687 6.35772 9.54529 numMergedOcc 0
14 mol 249 unq 0 iso 0 dist 6.88579 5.3865 4.49386 10.4911 9.04147 11.0551 numMergedOcc 0
15 mol 260 unq 0 iso 0 dist 8.67835 7.22473 9.45061 7.91474 4.76164 8.62655 numMergedOcc 0
16 mol 260 unq 1 iso 0 dist 8.67835 6.02628 13.0341 7.91474 4.76164 11.9844 numMergedOcc 0
