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mol_inp.sdf
31 lines (29 loc) · 1.22 KB
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mol_inp.sdf
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OpenBabel03241713293D
13 12 0 0 0 0 0 0 0 0999 V2000
-4.4748 -0.2112 -0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9778 -0.0964 -0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8334 -0.8836 0.7547 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8329 -0.5718 -1.0079 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9268 1.1832 0.2303 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5404 -1.4451 -0.2321 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6362 0.2792 0.9479 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6333 0.5888 -0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5170 1.4971 1.1977 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0099 1.1884 0.2365 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5196 1.8296 -0.5545 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9366 -1.9908 0.5247 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5240 -1.4384 -0.1282 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
1 4 1 0 0 0 0
1 5 1 0 0 0 0
2 6 1 0 0 0 0
2 7 1 0 0 0 0
2 8 1 0 0 0 0
5 9 1 0 0 0 0
5 10 1 0 0 0 0
5 11 1 0 0 0 0
6 12 1 0 0 0 0
6 13 1 0 0 0 0
M END
$$$$