0 mol 7 unq 0 iso 0 dist 5.51421 6.769 6.8464 4.60206 5.99972 9.85147 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.81271 6.769 9.15183 4.60206 9.68006 9.85147 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 6.51397 9.39983 5.24341 4.27486 9.47063 10.2986 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 6.51397 11.0466 7.67661 4.27486 9.47063 11.7959 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.38387 4.99287 8.03754 7.13085 8.95682 11.3298 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 6.58793 11.4201 9.67557 3.88757 7.54568 13.5302 numMergedOcc 0
6 mol 101 unq 0 iso 0 dist 5.22543 6.01775 8.65215 5.08458 6.98314 4.93063 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 8.35636 8.12468 9.64641 9.74143 7.02927 14.3991 numMergedOcc 0
8 mol 109 unq 1 iso 0 dist 8.35636 8.12468 9.64641 9.51381 6.60933 6.25986 numMergedOcc 0
9 mol 109 unq 2 iso 0 dist 8.3164 12.6973 9.41191 4.81814 7.80523 13.7792 numMergedOcc 0
10 mol 122 unq 0 iso 0 dist 6.78949 4.24711 8.75778 6.93382 9.23819 10.8777 numMergedOcc 0
11 mol 122 unq 1 iso 0 dist 6.78949 4.24711 8.75778 4.21285 8.88537 6.78281 numMergedOcc 0
12 mol 122 unq 2 iso 0 dist 9.40018 13.7131 8.75778 4.81033 9.23819 10.8777 numMergedOcc 0
13 mol 122 unq 3 iso 0 dist 9.40018 13.7131 8.75778 9.33734 8.88537 6.78281 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 9.50322 15.9933 9.1146 16.7326 9.22232 15.0618 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 9.50322 15.9933 9.1146 10.2948 9.22661 9.68947 numMergedOcc 0
16 mol 133 unq 2 iso 0 dist 9.50322 15.9933 9.1146 11.6924 7.56378 5.10826 numMergedOcc 0
17 mol 155 unq 0 iso 0 dist 4.44292 5.49557 8.57712 5.45915 6.53347 10.7516 numMergedOcc 0
18 mol 163 unq 0 iso 0 dist 9.63873 9.20952 8.32426 6.09134 9.07943 3.7064 numMergedOcc 0
19 mol 171 unq 0 iso 0 dist 6.07091 4.78402 7.73971 4.98945 9.61462 8.94436 numMergedOcc 0
20 mol 176 unq 0 iso 0 dist 7.30954 14.7871 8.02366 13.8868 7.33273 6.49767 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 5.96555 4.12904 8.52924 3.99238 6.03688 5.63231 numMergedOcc 0
22 mol 206 unq 0 iso 0 dist 9.36079 15.9979 8.11407 10.9922 6.16414 11.6019 numMergedOcc 0
23 mol 206 unq 1 iso 0 dist 9.36079 15.9979 8.11407 9.89331 7.33701 9.98867 numMergedOcc 0
24 mol 206 unq 2 iso 0 dist 9.36079 15.9979 8.11407 8.83984 8.0871 9.88398 numMergedOcc 0
25 mol 206 unq 3 iso 0 dist 7.42904 13.397 8.11407 8.16827 6.16414 11.6019 numMergedOcc 0
26 mol 206 unq 4 iso 0 dist 7.42904 13.397 8.11407 6.06766 7.33701 9.98867 numMergedOcc 0
27 mol 206 unq 5 iso 0 dist 7.42904 13.397 8.11407 5.82916 8.0871 9.88398 numMergedOcc 0
28 mol 244 unq 0 iso 0 dist 7.65388 8.49995 9.21656 4.38246 5.50492 4.89551 numMergedOcc 0
29 mol 249 unq 0 iso 0 dist 6.37672 7.08836 6.26142 4.20164 5.48118 9.55793 numMergedOcc 0
30 mol 249 unq 1 iso 0 dist 8.94023 9.91022 6.26142 5.93404 5.48118 9.55793 numMergedOcc 0
31 mol 258 unq 0 iso 0 dist 9.59174 9.2365 7.57187 5.32742 9.63959 12.7787 numMergedOcc 0
32 mol 271 unq 0 iso 0 dist 9.56149 5.60228 9.42899 6.15348 9.70714 11.0964 numMergedOcc 0
