0 mol 6 unq 0 iso 0 dist 4.75521 9.29636 5.15774 6.21374 9.88195 13.4058 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 6.69294 9.24546 10.7182 13.7689 7.54797 17.4931 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 6.69294 7.79091 12.3636 13.7689 7.54797 19.8866 numMergedOcc 0
3 mol 14 unq 2 iso 0 dist 5.35021 9.54103 12.1744 8.39619 7.54797 16.6412 numMergedOcc 0
4 mol 83 unq 0 iso 0 dist 6.21251 7.6104 12.8269 4.21416 7.02558 11.1874 numMergedOcc 0
5 mol 83 unq 1 iso 0 dist 6.21251 7.6104 12.8269 11.6917 8.81183 17.3283 numMergedOcc 0
6 mol 87 unq 0 iso 0 dist 9.28786 5.87044 7.5266 8.1075 8.81298 10.0711 numMergedOcc 0
7 mol 87 unq 1 iso 0 dist 9.28786 4.58684 6.19637 8.1075 8.81298 9.67406 numMergedOcc 0
8 mol 87 unq 2 iso 0 dist 9.28786 6.90348 11.3571 8.1075 8.81298 14.3864 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 8.43908 5.97658 5.76822 15.1202 9.90177 15.2314 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 8.43908 5.97658 5.76822 9.5165 6.87293 10.444 numMergedOcc 0
11 mol 110 unq 0 iso 0 dist 9.35378 8.38998 9.32628 6.82715 7.24538 11.7281 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 4.84604 6.29879 5.35551 6.871 8.60913 12.1981 numMergedOcc 0
13 mol 165 unq 0 iso 0 dist 8.7717 9.24259 9.13937 6.54299 5.5411 9.73305 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 9.10711 8.96503 14.538 7.95448 9.79058 16.0971 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 4.58449 9.9479 10.3793 6.28659 8.44603 11.9425 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 8.77267 9.92349 13.0906 7.21475 5.34387 13.8075 numMergedOcc 0
17 mol 220 unq 2 iso 0 dist 8.77267 9.70779 4.56028 7.21475 5.34387 6.25503 numMergedOcc 0
18 mol 260 unq 0 iso 0 dist 4.49691 7.68243 5.94756 5.75427 9.07261 8.28805 numMergedOcc 0
19 mol 271 unq 0 iso 0 dist 7.70069 6.33151 9.34867 8.87398 7.84542 11.8493 numMergedOcc 0
20 mol 282 unq 0 iso 0 dist 7.89956 9.73723 7.80238 5.46739 9.8362 14.4795 numMergedOcc 0
