0 mol 43 unq 0 iso 0 dist 8.06275 9.83489 8.03754 18.1807 12.7554 9.76585 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.90024 14.6778 8.03754 13.3436 12.7554 9.76585 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 5.50504 8.01646 8.44473 10.7324 6.16737 8.6338 numMergedOcc 0
3 mol 61 unq 1 iso 0 dist 5.50504 8.01646 8.44473 6.01552 4.90701 7.31677 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 8.66715 16.6927 9.1146 11.195 5.36939 5.84909 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 8.95433 4.42593 9.1146 5.63173 5.36939 5.84909 numMergedOcc 0
6 mol 152 unq 0 iso 0 dist 8.34839 8.6893 8.41774 17.0101 13.3909 9.66811 numMergedOcc 0
7 mol 154 unq 0 iso 0 dist 7.34207 6.84292 6.36439 11.6941 5.5065 8.65008 numMergedOcc 0
8 mol 163 unq 0 iso 0 dist 7.75045 6.56395 8.32426 9.04436 4.12904 9.24754 numMergedOcc 0
9 mol 167 unq 0 iso 0 dist 6.53913 13.5763 9.23645 19.3545 12.9803 9.63473 numMergedOcc 0
10 mol 167 unq 1 iso 0 dist 6.53913 13.5763 9.23645 12.5546 6.32863 8.39087 numMergedOcc 0
11 mol 197 unq 0 iso 0 dist 6.18446 4.80458 8.67786 8.22331 7.56497 7.32228 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 8.57514 8.8747 6.94789 12.7057 4.2475 9.85777 numMergedOcc 0
13 mol 205 unq 1 iso 0 dist 8.57514 12.2424 6.23932 10.3051 4.78067 5.81277 numMergedOcc 0
14 mol 205 unq 2 iso 0 dist 8.57514 12.2424 6.23932 12.7057 4.2475 5.05912 numMergedOcc 0
15 mol 205 unq 3 iso 0 dist 8.57514 12.2424 6.23932 14.4031 6.8901 6.60429 numMergedOcc 0
16 mol 205 unq 4 iso 0 dist 6.11505 9.55713 6.94789 9.86224 4.2475 9.85777 numMergedOcc 0
17 mol 205 unq 5 iso 0 dist 6.11505 9.51216 6.23932 5.91079 4.78067 5.81277 numMergedOcc 0
18 mol 205 unq 6 iso 0 dist 6.11505 9.51216 6.23932 9.86224 4.2475 5.05912 numMergedOcc 0
19 mol 205 unq 7 iso 0 dist 6.11505 9.51216 6.23932 12.7533 6.8901 6.60429 numMergedOcc 0
20 mol 210 unq 0 iso 0 dist 8.58471 12.9787 6.13878 11.8094 3.84723 5.70065 numMergedOcc 0
21 mol 233 unq 0 iso 0 dist 6.48196 4.26152 7.41931 4.91191 6.52848 8.01777 numMergedOcc 0
22 mol 236 unq 0 iso 0 dist 9.07222 7.3073 6.43046 6.54859 4.71394 6.94194 numMergedOcc 0
23 mol 236 unq 1 iso 0 dist 9.07222 7.3073 6.43046 10.4413 4.3282 6.74849 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 9.38793 9.78665 6.03235 6.58667 4.84657 8.99435 numMergedOcc 0
