0 mol 9 unq 0 iso 0 dist 6.02191 6.27808 8.77074 10.1574 8.55446 11.1857 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 6.02191 6.27808 8.77074 10.5873 6.59455 9.93406 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 6.02191 6.27808 8.77074 11.7145 5.71201 13.0985 numMergedOcc 0
3 mol 13 unq 0 iso 0 dist 7.56303 9.77526 5.04036 11.5415 7.98679 6.39939 numMergedOcc 0
4 mol 13 unq 1 iso 0 dist 7.56303 8.77656 9.44958 11.5415 7.98679 14.2898 numMergedOcc 0
5 mol 28 unq 0 iso 0 dist 6.69917 13.6284 9.00593 7.11602 7.40415 13.0892 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 8.64844 13.6749 7.27883 5.08831 6.15801 9.02863 numMergedOcc 0
7 mol 34 unq 1 iso 0 dist 8.64844 13.6749 7.27883 6.54316 9.63403 12.015 numMergedOcc 0
8 mol 34 unq 2 iso 0 dist 8.64844 13.6749 7.27883 13.7964 8.07314 4.1203 numMergedOcc 0
9 mol 44 unq 0 iso 0 dist 5.06773 5.57404 7.03812 10.5918 7.03307 10.0797 numMergedOcc 0
10 mol 44 unq 1 iso 0 dist 5.06773 5.57404 7.03812 8.16312 7.25707 6.29545 numMergedOcc 0
11 mol 44 unq 2 iso 0 dist 8.2444 7.08048 7.03812 14.6127 7.03307 10.0797 numMergedOcc 0
12 mol 44 unq 3 iso 0 dist 8.2444 7.08048 7.03812 12.3178 7.25707 6.29545 numMergedOcc 0
13 mol 48 unq 0 iso 0 dist 8.57625 6.41876 9.15304 8.62518 8.86698 13.7632 numMergedOcc 0
14 mol 52 unq 0 iso 0 dist 8.96804 13.2668 9.46302 12.1241 9.80143 5.51146 numMergedOcc 0
15 mol 52 unq 1 iso 0 dist 7.23669 7.2318 9.46302 7.37655 9.80143 5.51146 numMergedOcc 0
16 mol 53 unq 0 iso 0 dist 7.61675 10.3698 9.23241 11.8798 7.75295 10.4112 numMergedOcc 0
17 mol 53 unq 1 iso 0 dist 9.64645 12.1711 9.23241 5.74596 7.75295 10.4112 numMergedOcc 0
18 mol 68 unq 0 iso 0 dist 7.65992 4.11905 5.74389 6.13443 6.40693 6.32283 numMergedOcc 0
19 mol 73 unq 0 iso 0 dist 9.26179 9.60689 6.53468 5.18957 7.62738 4.79924 numMergedOcc 0
20 mol 73 unq 1 iso 0 dist 9.26179 12.6588 5.90954 5.18957 7.62738 9.80492 numMergedOcc 0
21 mol 151 unq 0 iso 0 dist 8.40211 10.2163 5.87912 9.16226 4.74531 3.95051 numMergedOcc 0
22 mol 151 unq 1 iso 0 dist 8.40211 7.9137 7.06678 9.16226 4.74531 9.40926 numMergedOcc 0
23 mol 151 unq 2 iso 0 dist 8.24746 10.3952 5.87912 10.6214 4.74531 3.95051 numMergedOcc 0
24 mol 151 unq 3 iso 0 dist 8.24746 4.83603 7.06678 10.6214 4.74531 9.40926 numMergedOcc 0
25 mol 158 unq 0 iso 0 dist 8.15524 10.973 6.92225 13.3358 6.76055 4.31531 numMergedOcc 0
26 mol 158 unq 1 iso 0 dist 8.15524 10.973 6.92225 14.2466 9.36343 9.29425 numMergedOcc 0
27 mol 163 unq 0 iso 0 dist 7.64106 6.74862 9.3832 10.013 9.79069 4.04072 numMergedOcc 0
28 mol 163 unq 1 iso 0 dist 7.64106 6.74862 9.3832 16.2291 9.27496 16.9342 numMergedOcc 0
29 mol 163 unq 2 iso 0 dist 7.64106 12.1164 6.0247 10.013 9.79069 12.5525 numMergedOcc 0
30 mol 163 unq 3 iso 0 dist 7.64106 12.1164 6.0247 16.2291 9.27496 4.37572 numMergedOcc 0
31 mol 163 unq 4 iso 0 dist 7.64106 11.5172 6.40873 10.013 9.79069 8.81556 numMergedOcc 0
32 mol 163 unq 5 iso 0 dist 7.64106 11.5172 6.40873 16.2291 9.27496 7.05786 numMergedOcc 0
33 mol 182 unq 0 iso 0 dist 7.60057 7.38467 9.52012 6.00841 8.43933 7.42937 numMergedOcc 0
34 mol 213 unq 0 iso 0 dist 9.95628 12.1 8.91912 13.2163 8.42053 9.37425 numMergedOcc 0
35 mol 277 unq 0 iso 0 dist 7.2551 3.93775 5.70326 6.74507 8.81717 9.45482 numMergedOcc 0
36 mol 286 unq 0 iso 0 dist 9.41529 9.09875 7.3415 5.45497 8.69826 5.38595 numMergedOcc 0
