/data/dan004.sdf
http://github.com/rajarshi/cdkr · Unknown · 88 lines · 87 code · 1 blank · 0 comment · 0 complexity · c56d55da853a2422262886633c2d0753 MD5 · raw file
- dan004.sdf
- -ISIS- 3D
- 40 42 0 0 0 0 0 0 0 0 1 V2000
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- 1.4217 0.8968 0.4707 C 0 0 0 0 0
- 1.0744 2.1935 0.8540 C 0 0 0 0 0
- 2.0511 3.1905 0.9430 C 0 0 0 0 0
- 3.3937 2.8912 0.6572 C 0 0 0 0 0
- 3.7400 1.5824 0.2815 C 0 0 0 0 0
- 2.7556 0.5929 0.1924 C 0 0 0 0 0
- 1.5319 4.7732 1.4186 Cl 0 0 0 0 0
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- 5.3697 1.1207 -0.0820 Cl 0 0 0 0 0
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- -0.8366 -0.0187 2.0400 H 0 0 0 0 0
- -0.3726 -1.6762 1.4818 H 0 0 0 0 0
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- M END
- $$$$