Skip to content

Instantly share code, notes, and snippets.

@ghutchis

ghutchis/ch3co2.sdf

Created October 29, 2019 14:20
Show Gist options
  • Star 0 You must be signed in to star a gist
  • Fork 0 You must be signed in to fork a gist
  • Save ghutchis/29130f768fd85444333b2a0ec643a441 to your computer and use it in GitHub Desktop.
Save ghutchis/29130f768fd85444333b2a0ec643a441 to your computer and use it in GitHub Desktop.
Download ZIP
CH3CO2- example
Raw
ch3co2.sdf
ch3co2.sdf
ChemDraw10291910202D
4 3 0 0 0 0 0 0 0 0999 V2000
-0.7145 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.6187 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
0.0000 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
2 4 2 0
M CHG 1 3 -1
M END
$$$$
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment