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GenFBDD
/
results
/2025-01-01_01-01-01_80cf2658-7a1c-48d6-8372-61b978177fe6
/docking
/1xkk-frag_1_0-confidence0.01.sdf
RDKit 3D | |
10 11 0 0 0 0 0 0 0 0999 V2000 | |
16.2668 34.0732 40.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
17.1893 33.6174 39.3135 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
16.8190 33.1721 38.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
15.4885 33.1712 37.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
15.1263 32.7313 36.4520 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
13.8133 32.7391 36.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
12.8631 33.1755 36.9728 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
13.2229 33.6106 38.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
14.5461 33.6226 38.5944 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
14.9311 34.0680 39.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
1 2 2 0 | |
2 3 1 0 | |
3 4 2 0 | |
4 5 1 0 | |
5 6 2 0 | |
6 7 1 0 | |
7 8 2 0 | |
8 9 1 0 | |
9 10 2 0 | |
10 1 1 0 | |
9 4 1 0 | |
M END | |
$$$$ | |