File: simple_e.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-- 428 bytes parent folder | download | duplicates (8)
1
2
3
4
5
6
7
8
9
10
11
12

  Marvin  08270812032D          

  4  3  0  0  0  0            999 V2000
   -2.5929    1.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7679    1.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3554    2.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0054    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
M  END