0 mol 33 unq 0 iso 0 dist 5.66319 6.24385 8.00177 10.4473 7.71372 7.26522 numMergedOcc 0
1 mol 33 unq 1 iso 0 dist 5.66319 6.24385 8.00177 8.37901 7.83082 8.7979 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 8.54845 14.6671 8.63486 23.8997 18.2661 9.78177 numMergedOcc 0
3 mol 56 unq 1 iso 0 dist 8.54845 14.6671 8.63486 12.7219 10.6193 7.03635 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.89021 16.3451 8.03303 11.7556 5.4527 8.39494 numMergedOcc 0
5 mol 109 unq 0 iso 0 dist 7.4371 5.02505 8.67766 8.53914 9.09837 8.71813 numMergedOcc 0
6 mol 162 unq 0 iso 0 dist 9.89142 7.6506 6.20182 11.9611 6.22059 8.6792 numMergedOcc 0
7 mol 167 unq 0 iso 0 dist 8.58946 9.00245 9.94125 12.8904 8.90206 9.94406 numMergedOcc 0
8 mol 212 unq 0 iso 0 dist 9.1384 13.7645 8.57827 11.3453 7.1502 4.72269 numMergedOcc 0
9 mol 212 unq 1 iso 0 dist 7.87125 13.7645 6.29767 11.3453 5.3615 4.72269 numMergedOcc 0
10 mol 214 unq 0 iso 0 dist 7.77535 4.08418 7.05523 4.36421 7.98893 5.96047 numMergedOcc 0
11 mol 230 unq 0 iso 0 dist 8.33847 5.02022 6.41286 9.24729 12.2372 6.86851 numMergedOcc 0
12 mol 230 unq 1 iso 0 dist 8.33847 5.02022 6.41286 14.5121 9.33469 9.88392 numMergedOcc 0
13 mol 230 unq 2 iso 0 dist 9.12305 9.81615 6.41286 14.8863 12.2372 6.86851 numMergedOcc 0
14 mol 230 unq 3 iso 0 dist 9.12305 9.81615 6.41286 17.4286 9.33469 9.88392 numMergedOcc 0
15 mol 235 unq 0 iso 0 dist 7.93727 3.94313 7.75722 12.4078 15.1887 9.49829 numMergedOcc 0
16 mol 236 unq 0 iso 0 dist 6.36941 7.05684 8.50331 8.63249 7.45579 5.6241 numMergedOcc 0
17 mol 240 unq 0 iso 0 dist 6.01168 14.3522 9.47583 10.5367 5.36005 8.67485 numMergedOcc 0
18 mol 240 unq 1 iso 0 dist 7.72928 14.3522 8.44909 10.5367 4.4564 8.67485 numMergedOcc 0
19 mol 240 unq 2 iso 0 dist 6.83069 8.30926 9.47583 7.19218 5.36005 8.67485 numMergedOcc 0
20 mol 240 unq 3 iso 0 dist 9.30995 8.30926 8.44909 7.19218 4.4564 8.67485 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 7.9357 11.517 7.99477 18.1327 12.3699 8.35413 numMergedOcc 0
22 mol 258 unq 1 iso 0 dist 8.81059 15.4617 7.99477 19.22 12.3699 8.35413 numMergedOcc 0
