0 mol 7 unq 0 iso 0 dist 9.20552 6.49868 7.88043 10.4548 5.99459 8.0744 11.1443 12.2041 5.72491 9.67164 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.94828 10.812 6.90155 4.54526 4.79873 6.86525 15.0254 10.6808 5.81959 11.4732 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.94828 10.812 6.90155 16.0229 9.48085 13.7717 15.0254 10.6808 5.81959 17.8732 numMergedOcc 0
3 mol 109 unq 0 iso 0 dist 9.26438 12.3653 5.34214 7.53887 7.07971 6.8409 13.8343 4.98336 7.55384 11.8087 numMergedOcc 0
4 mol 109 unq 1 iso 0 dist 6.43255 5.55157 5.34214 7.83378 7.07971 6.8409 9.27088 4.98336 7.55384 11.8087 numMergedOcc 0
5 mol 109 unq 2 iso 0 dist 7.4389 3.56506 5.34214 10.405 7.07971 6.8409 7.24527 4.98336 7.55384 11.8087 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 7.85583 11.1422 6.47042 10.864 8.47988 8.90959 12.6172 4.8896 6.78038 9.02706 numMergedOcc 0
7 mol 112 unq 1 iso 0 dist 7.85583 11.1422 6.47042 9.95307 8.0427 4.4941 12.6172 4.8896 6.78038 9.39168 numMergedOcc 0
8 mol 112 unq 2 iso 0 dist 8.86938 13.5573 6.47042 9.50897 8.47988 8.90959 12.679 4.8896 6.78038 9.02706 numMergedOcc 0
9 mol 112 unq 3 iso 0 dist 8.86938 13.5573 6.47042 11.9673 8.0427 4.4941 12.679 4.8896 6.78038 9.39168 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 8.77347 6.2749 7.20574 8.69152 6.61112 8.58039 10.7364 5.74635 6.85302 11.456 numMergedOcc 0
11 mol 195 unq 0 iso 0 dist 7.39185 9.67099 6.60567 4.31898 7.41662 9.48862 14.8997 10.7531 7.62942 16.1768 numMergedOcc 0
12 mol 195 unq 1 iso 0 dist 4.78641 9.33058 6.60567 8.15463 7.41662 9.48862 12.0897 10.7531 7.62942 16.1768 numMergedOcc 0
13 mol 218 unq 0 iso 0 dist 9.79816 10.888 5.76954 15.4347 7.33709 6.57708 12.5084 4.72474 6.29367 8.75536 numMergedOcc 0
14 mol 218 unq 1 iso 0 dist 9.79816 10.888 5.76954 15.4347 7.33709 6.57708 15.3307 5.61978 9.20961 6.67404 numMergedOcc 0
15 mol 218 unq 2 iso 0 dist 9.79816 8.17702 6.29511 15.4347 7.33709 13.4147 12.5084 4.72474 8.86175 8.75536 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 8.97461 11.3332 5.64181 17.3901 9.08509 6.94907 8.89487 6.85126 7.61393 11.9549 numMergedOcc 0
17 mol 238 unq 1 iso 0 dist 6.94654 9.80929 7.61393 3.55929 9.06592 9.9447 11.7526 6.85126 5.64181 13.3867 numMergedOcc 0
18 mol 238 unq 2 iso 0 dist 8.89487 11.3332 7.61393 12.7433 9.06592 9.9447 8.97461 6.85126 5.64181 13.3867 numMergedOcc 0
19 mol 264 unq 0 iso 0 dist 8.85887 5.95173 6.42588 12.6528 9.58916 7.36132 13.3833 8.96144 7.52281 5.90924 numMergedOcc 0
20 mol 264 unq 1 iso 0 dist 6.65233 6.79049 6.14323 6.04707 8.29262 5.82131 10.3349 4.92077 6.04162 9.19754 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 7.151 6.63088 6.57903 10.3171 9.57499 14.6871 10.4836 6.59123 9.65707 10.4733 numMergedOcc 0
22 mol 277 unq 1 iso 0 dist 8.33977 14.3997 6.57903 5.04761 9.57499 14.6871 11.513 6.59123 9.65707 10.4733 numMergedOcc 0
