0 mol 116 unq 0 iso 0 dist 6.12388 9.38436 8.16601 7.54622 4.27109 5.03041 numMergedOcc 0
1 mol 171 unq 0 iso 0 dist 8.68992 6.07578 5.92577 5.98495 3.65288 3.4213 numMergedOcc 0
2 mol 197 unq 0 iso 0 dist 7.18765 8.49016 13.1412 5.65314 9.61454 3.57029 numMergedOcc 0
3 mol 197 unq 1 iso 0 dist 7.41091 8.49016 10.444 5.65314 7.59871 3.57029 numMergedOcc 0
4 mol 206 unq 0 iso 0 dist 6.18991 7.40442 7.17804 8.91548 5.14674 11.5282 numMergedOcc 0
5 mol 228 unq 0 iso 0 dist 8.89311 7.66857 6.94614 9.10819 9.01048 3.97286 numMergedOcc 0
6 mol 228 unq 1 iso 0 dist 8.81885 7.32022 6.95547 8.68964 8.99242 3.95029 numMergedOcc 0
7 mol 229 unq 0 iso 0 dist 9.48923 5.82844 6.02603 9.69367 6.83765 10.3407 numMergedOcc 0
8 mol 229 unq 1 iso 0 dist 9.67544 5.82844 8.88968 9.69367 4.61227 10.3407 numMergedOcc 0
9 mol 232 unq 0 iso 0 dist 6.94983 7.68603 8.36582 7.13253 5.42461 3.42966 numMergedOcc 0
10 mol 252 unq 0 iso 0 dist 9.55574 8.16181 13.4436 9.86407 7.96299 16.2481 numMergedOcc 0
11 mol 266 unq 0 iso 0 dist 8.82941 7.57543 11.2328 8.6959 10.504 5.49879 numMergedOcc 0
12 mol 266 unq 1 iso 0 dist 8.82941 8.55542 5.60582 8.6959 10.504 9.07687 numMergedOcc 0
13 mol 266 unq 2 iso 0 dist 8.82941 8.93788 11.0673 8.6959 10.504 13.4148 numMergedOcc 0
14 mol 292 unq 0 iso 0 dist 7.29148 9.32168 5.56576 9.17392 5.50627 9.40369 numMergedOcc 0
