0 mol 8 unq 0 iso 0 dist 9.74854 8.76702 7.433 9.69819 12.7942 6.22971 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.74854 6.27477 10.7778 9.69819 12.7942 10.3253 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 7.6876 6.44693 9.69257 9.63181 7.81123 7.77965 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 9.67955 7.0928 8.51263 9.67946 5.77186 4.3253 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 6.25761 9.15677 4.52042 9.53735 10.4631 10.797 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 9.02604 9.15677 11.1182 9.53735 4.77336 10.797 numMergedOcc 0
6 mol 46 unq 0 iso 0 dist 6.81211 9.31319 5.65878 6.19084 5.21113 10.5906 numMergedOcc 0
7 mol 46 unq 1 iso 0 dist 6.81211 8.2513 9.79109 6.19084 5.21113 12.8683 numMergedOcc 0
8 mol 54 unq 0 iso 0 dist 7.34695 7.51978 5.65405 5.0478 5.01159 4.29856 numMergedOcc 0
9 mol 61 unq 0 iso 0 dist 8.06956 8.60577 11.9795 5.39827 12.2523 9.23414 numMergedOcc 0
10 mol 66 unq 0 iso 0 dist 8.2753 8.04639 15.1704 5.75397 10.784 5.99928 numMergedOcc 0
11 mol 66 unq 1 iso 0 dist 8.2753 8.04639 15.1704 9.11975 15.1464 4.38694 numMergedOcc 0
12 mol 66 unq 2 iso 0 dist 8.2753 7.69019 12.5152 5.75397 10.784 5.61937 numMergedOcc 0
13 mol 66 unq 3 iso 0 dist 8.2753 7.69019 12.5152 9.11975 15.1464 7.22146 numMergedOcc 0
14 mol 68 unq 0 iso 0 dist 8.60633 6.6606 6.13436 8.14607 10.8667 9.12845 numMergedOcc 0
15 mol 112 unq 0 iso 0 dist 8.37011 7.63658 7.46874 6.73172 5.42112 5.76986 numMergedOcc 0
16 mol 112 unq 1 iso 0 dist 8.37011 7.65229 7.97204 6.73172 5.42112 5.39346 numMergedOcc 0
17 mol 125 unq 0 iso 0 dist 9.99265 8.38646 12.2648 8.6317 14.6801 9.20086 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 6.50055 6.96824 10.4974 5.6688 5.71112 6.29863 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 6.50055 9.25528 5.65167 5.6688 5.71112 5.6044 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 5.42362 9.29203 4.99401 8.03226 6.77421 10.3871 numMergedOcc 0
21 mol 238 unq 1 iso 0 dist 5.42362 7.62771 5.07768 8.03226 6.77421 6.54814 numMergedOcc 0
22 mol 238 unq 2 iso 0 dist 5.42362 7.80166 9.99053 8.03226 6.77421 14.388 numMergedOcc 0
23 mol 253 unq 0 iso 0 dist 8.0425 5.76077 7.07333 7.06589 5.01342 5.78064 numMergedOcc 0
24 mol 253 unq 1 iso 0 dist 7.0141 7.0247 7.07333 8.70383 5.01342 5.78064 numMergedOcc 0
25 mol 272 unq 0 iso 0 dist 6.2083 9.54236 9.1401 9.1926 6.02611 4.61517 numMergedOcc 0
26 mol 272 unq 1 iso 0 dist 6.2083 9.54236 9.1401 9.17894 13.4883 8.52496 numMergedOcc 0
