[Cdk-commits] CVS: cdk/src/data/inchi benzoicacid.mol.txt,NONE,1.1

[Egon W. <eg...@us...>]

Update of /cvsroot/cdk/cdk/src/data/inchi
In directory sc8-pr-cvs1.sourceforge.net:/tmp/cvs-serv11814/src/data/inchi

Added Files:
	benzoicacid.mol.txt 
Log Message:
Added a InChI 1 file

--- NEW FILE: benzoicacid.mol.txt ---
* Input_File: "inchi-samples/benzoicacid.mol"
Structure: 1
InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
AuxInfo=1/1/N:6,3,7,1,4,2,5,8,9/E:(2,3)(4,5)(8,9)/rA:9nCCCCCCCOO/rB:d1;s1;s2;s2;d3;d4s6;s5;d5;/rC:13.2076,-5.2994,0;14.3539,-4.625,0;13.2076,-6.648,0;15.5003,-5.2994,0;14.3539,-3.2763,0;14.3539,-7.3224,0;15.5003,-6.648,0;13.2076,-2.602,0;15.5003,-2.602,0;