File: mol1.mol

package info (click to toggle)
rdkit 201203-3
  • links: PTS, VCS
  • area: main
  • in suites: wheezy
  • size: 37,840 kB
  • sloc: cpp: 93,902; python: 51,897; java: 5,192; ansic: 3,497; xml: 2,499; sql: 1,641; yacc: 1,518; lex: 1,076; makefile: 325; fortran: 183; sh: 153; cs: 51
file content (16 lines) | stat: -rwxr-xr-x 543 bytes parent folder | download | duplicates (16) 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
 
mol1.mol
  ChemDraw12060116342D

  5  5  0  0  0  0  0  0  0  0999 V2000
   -0.6348    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6348   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1498   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6348   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1498    0.6674    0.0000 C   0  5  0  0  0  0  1  0  0  0  0  0
  1  2  2  0      
  2  3  1  0      
  3  4  2  0      
  4  5  1  0      
  5  1  1  0      
M  CHG  1   5  -1
M  END