0 mol 8 unq 0 iso 0 dist 9.74854 8.76702 7.433 6.27477 10.7778 8.02605 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 9.74854 6.27477 10.7778 8.76702 7.433 8.02605 numMergedOcc 0
2 mol 42 unq 0 iso 0 dist 9.25043 9.82637 7.27184 8.64833 6.11894 11.4997 numMergedOcc 0
3 mol 42 unq 0 iso 1 dist 9.25043 8.64833 6.11894 9.82637 7.27184 11.4997 numMergedOcc 0
4 mol 46 unq 0 iso 0 dist 6.81211 9.31319 5.65878 8.2513 9.79109 7.32297 numMergedOcc 0
5 mol 46 unq 0 iso 1 dist 6.81211 8.2513 9.79109 9.31319 5.65878 7.32297 numMergedOcc 0
6 mol 66 unq 0 iso 0 dist 8.2753 8.04639 15.1704 7.69019 12.5152 9.61194 numMergedOcc 0
7 mol 66 unq 0 iso 1 dist 8.2753 7.69019 12.5152 8.04639 15.1704 9.61194 numMergedOcc 0
8 mol 89 unq 0 iso 0 dist 7.45116 9.51842 9.70567 8.25651 11.5709 10.4087 numMergedOcc 0
9 mol 89 unq 0 iso 1 dist 7.45116 8.25651 11.5709 9.51842 9.70567 10.4087 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 8.37011 7.63658 7.46874 7.65229 7.97204 10.838 numMergedOcc 0
11 mol 112 unq 0 iso 1 dist 8.37011 7.65229 7.97204 7.63658 7.46874 10.838 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 6.50055 6.96824 10.4974 9.25528 5.65167 11.9017 numMergedOcc 0
13 mol 181 unq 0 iso 1 dist 6.50055 9.25528 5.65167 6.96824 10.4974 11.9017 numMergedOcc 0
14 mol 213 unq 0 iso 0 dist 6.60512 8.10356 5.29742 6.77104 11.275 11.3915 numMergedOcc 0
15 mol 213 unq 0 iso 1 dist 6.60512 6.77104 11.275 8.10356 5.29742 11.3915 numMergedOcc 0
16 mol 213 unq 1 iso 0 dist 6.99636 8.10356 12.6348 6.77104 7.02346 11.3915 numMergedOcc 0
17 mol 213 unq 1 iso 1 dist 6.99636 6.77104 7.02346 8.10356 12.6348 11.3915 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 7.16671 7.2527 4.99401 7.13194 9.99053 10.0191 numMergedOcc 0
19 mol 238 unq 0 iso 1 dist 7.16671 7.13194 9.99053 7.2527 4.99401 10.0191 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 5.42362 9.29203 4.99401 7.62771 5.07768 5.40359 numMergedOcc 0
21 mol 238 unq 1 iso 1 dist 5.42362 7.62771 5.07768 9.29203 4.99401 5.40359 numMergedOcc 0
22 mol 238 unq 2 iso 0 dist 5.42362 9.29203 4.99401 7.80166 9.99053 10.0191 numMergedOcc 0
23 mol 238 unq 2 iso 1 dist 5.42362 7.80166 9.99053 9.29203 4.99401 10.0191 numMergedOcc 0
24 mol 238 unq 2 iso 0 dist 5.42362 7.62771 5.07768 7.80166 9.99053 10.1648 numMergedOcc 0
25 mol 238 unq 2 iso 1 dist 5.42362 7.80166 9.99053 7.62771 5.07768 10.1648 numMergedOcc 0
26 mol 272 unq 0 iso 0 dist 9.52832 7.22438 6.09229 7.66615 7.86199 5.40809 numMergedOcc 0
27 mol 272 unq 0 iso 1 dist 9.52832 7.66615 7.86199 7.22438 6.09229 5.40809 numMergedOcc 0
