0 mol 7 unq 0 iso 0 dist 9.20552 6.49868 7.88043 11.1443 12.2041 5.72491 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.94828 10.812 6.90155 15.0254 10.6808 5.81959 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.90473 10.0227 8.6385 14.7561 9.78225 5.69955 numMergedOcc 0
3 mol 42 unq 0 iso 0 dist 8.23258 8.35702 9.53458 12.1252 5.59383 9.16649 numMergedOcc 0
4 mol 70 unq 0 iso 0 dist 9.49626 6.85924 6.54023 11.8044 5.22626 9.31969 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 9.9795 11.5334 7.1589 13.2455 4.26409 8.00777 numMergedOcc 0
6 mol 94 unq 0 iso 0 dist 8.01724 5.25393 8.16733 13.1287 7.49897 9.97569 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 9.26438 12.3653 5.34214 13.8343 4.98336 7.55384 numMergedOcc 0
8 mol 109 unq 1 iso 0 dist 6.43255 5.55157 5.34214 9.27088 4.98336 7.55384 numMergedOcc 0
9 mol 109 unq 2 iso 0 dist 7.4389 3.56506 5.34214 7.24527 4.98336 7.55384 numMergedOcc 0
10 mol 109 unq 3 iso 0 dist 7.24527 3.56506 7.55384 7.4389 4.98336 5.34214 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 7.85583 11.1422 6.47042 12.6172 4.8896 6.78038 numMergedOcc 0
12 mol 112 unq 1 iso 0 dist 8.86938 13.5573 6.47042 12.679 4.8896 6.78038 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 8.27794 8.07046 7.20392 10.4189 10.1912 6.51749 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 8.77347 6.2749 7.20574 10.7364 5.74635 6.85302 numMergedOcc 0
15 mol 195 unq 0 iso 0 dist 7.39185 9.67099 6.60567 14.8997 10.7531 7.62942 numMergedOcc 0
16 mol 195 unq 1 iso 0 dist 4.78641 9.33058 6.60567 12.0897 10.7531 7.62942 numMergedOcc 0
17 mol 207 unq 0 iso 0 dist 5.18312 5.18702 8.32218 11.6039 11.0921 7.96797 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 7.94344 6.27546 8.46327 13.0785 12.7897 7.05523 numMergedOcc 0
19 mol 218 unq 0 iso 0 dist 9.79816 10.888 5.76954 12.5084 4.72474 6.29367 numMergedOcc 0
20 mol 218 unq 1 iso 0 dist 9.79816 10.888 5.76954 15.3307 5.61978 9.20961 numMergedOcc 0
21 mol 218 unq 2 iso 0 dist 9.79816 8.17702 6.29511 12.5084 4.72474 8.86175 numMergedOcc 0
22 mol 234 unq 0 iso 0 dist 8.00095 8.07521 7.56091 10.0158 8.59858 8.24186 numMergedOcc 0
23 mol 234 unq 1 iso 0 dist 8.00095 8.07521 7.56091 13.4063 9.82284 7.5366 numMergedOcc 0
24 mol 235 unq 0 iso 0 dist 5.60236 6.49782 6.39158 13.6806 12.1984 7.75722 numMergedOcc 0
25 mol 235 unq 1 iso 0 dist 9.03917 12.526 6.39158 16.3162 12.1984 7.75722 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 8.97461 11.3332 5.64181 8.89487 6.85126 7.61393 numMergedOcc 0
27 mol 238 unq 1 iso 0 dist 6.94654 9.80929 7.61393 11.7526 6.85126 5.64181 numMergedOcc 0
28 mol 238 unq 2 iso 0 dist 8.89487 11.3332 7.61393 8.97461 6.85126 5.64181 numMergedOcc 0
29 mol 240 unq 0 iso 0 dist 7.6664 14.1051 9.47583 11.4891 4.28414 8.44909 numMergedOcc 0
30 mol 258 unq 0 iso 0 dist 9.2067 5.00301 7.99477 11.1938 7.26417 6.70815 numMergedOcc 0
31 mol 258 unq 1 iso 0 dist 9.2067 5.99575 7.86627 9.16078 5.30627 7.93574 numMergedOcc 0
32 mol 258 unq 2 iso 0 dist 9.16078 5.99575 7.93574 9.2067 5.30627 7.86627 numMergedOcc 0
33 mol 264 unq 0 iso 0 dist 8.85887 5.95173 6.42588 13.3833 8.96144 7.52281 numMergedOcc 0
34 mol 264 unq 1 iso 0 dist 6.65233 6.79049 6.14323 10.3349 4.92077 6.04162 numMergedOcc 0
35 mol 277 unq 0 iso 0 dist 7.151 6.63088 6.57903 10.4836 6.59123 9.65707 numMergedOcc 0
36 mol 277 unq 1 iso 0 dist 8.33977 14.3997 6.57903 11.513 6.59123 9.65707 numMergedOcc 0
