0 mol 9 unq 0 iso 0 dist 9.9919 5.95912 6.20227 15.4961 10.6533 9.78006 9.58761 5.06967 5.55437 11.0722 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 9.98606 7.07175 9.93806 7.5819 5.44942 8.65802 14.5573 11.8358 8.03028 12.1157 numMergedOcc 0
2 mol 92 unq 1 iso 0 dist 9.98606 7.07175 9.93806 7.5819 5.44942 8.65802 11.0321 10.439 7.39754 7.23437 numMergedOcc 0
3 mol 119 unq 0 iso 0 dist 6.29634 9.79485 8.81779 8.44385 4.55137 7.99857 9.15988 8.58511 8.03035 4.99056 numMergedOcc 0
4 mol 119 unq 1 iso 0 dist 6.29634 9.79485 8.81779 5.63005 6.42493 8.56342 9.15988 8.58511 8.03035 3.78311 numMergedOcc 0
5 mol 162 unq 0 iso 0 dist 8.99034 5.5367 6.00293 9.97921 5.05715 6.20182 12.6373 11.092 8.53374 6.69868 numMergedOcc 0
6 mol 163 unq 0 iso 0 dist 6.54995 6.56076 7.27002 11.6021 10.1139 8.38738 6.0247 5.57459 7.3546 6.94217 numMergedOcc 0
7 mol 163 unq 1 iso 0 dist 5.27374 9.55758 7.27002 13.0625 10.1139 8.38738 6.40873 5.57459 7.3546 6.94217 numMergedOcc 0
8 mol 171 unq 0 iso 0 dist 9.2747 9.06963 7.75632 10.2921 8.62666 7.71426 11.5813 5.76368 7.82546 4.44751 numMergedOcc 0
9 mol 171 unq 1 iso 0 dist 9.2747 9.06963 7.75632 11.2403 11.8746 5.10618 11.5813 5.76368 7.82546 9.61561 numMergedOcc 0
10 mol 171 unq 2 iso 0 dist 9.2747 9.06963 7.75632 16.6364 9.0509 9.86681 11.5813 5.76368 7.82546 10.2067 numMergedOcc 0
11 mol 175 unq 0 iso 0 dist 8.49856 6.61278 6.59925 12.4261 13.4456 8.0154 8.4673 3.87881 7.32419 12.3408 numMergedOcc 0
12 mol 175 unq 1 iso 0 dist 8.49856 6.61278 6.59925 12.4261 13.4456 8.0154 10.5183 9.0465 8.31961 8.68081 numMergedOcc 0
13 mol 218 unq 0 iso 0 dist 6.02521 5.68266 6.45821 11.7899 7.79008 8.0751 13.827 12.0728 8.22792 7.85475 numMergedOcc 0
14 mol 225 unq 0 iso 0 dist 7.03647 9.67929 9.18343 16.4096 11.7207 8.87609 15.2581 15.612 6.53728 11.5135 numMergedOcc 0
15 mol 227 unq 0 iso 0 dist 8.99259 7.06191 9.94302 9.96308 13.798 8.38865 11.2801 6.30626 9.56257 10.5813 numMergedOcc 0
16 mol 227 unq 1 iso 0 dist 8.99259 7.06191 9.94302 9.95674 10.9445 5.4694 11.2801 6.30626 9.56257 7.22396 numMergedOcc 0
17 mol 251 unq 0 iso 0 dist 6.32455 9.21735 6.12282 7.4878 7.703 8.01198 11.0437 6.84219 8.53757 6.6269 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 8.4485 4.88527 8.65191 10.6749 9.34197 6.70815 8.15795 3.42387 6.47194 6.6525 numMergedOcc 0
19 mol 258 unq 1 iso 0 dist 8.4485 4.88527 8.65191 11.4077 8.40328 7.99477 8.15795 3.42387 6.47194 5.27959 numMergedOcc 0
