File: Issue142d.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 (12 lines) | stat: -rw-r--r-- 424 bytes parent folder | download | duplicates (3) 
1
2
3
4
5
6
7
8
9
10
11
12
 
Issue142d.mol
  I[C@H](O)S

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.6675   -0.6843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0196   -0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6675   -0.6517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0948    0.6843    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0      
  3  2  1  0      
  2  4  1  1      
M  END