File: parity.simpleH2.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: -rw-r--r-- 612 bytes parent folder | download | duplicates (8) 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
 

  Marvin  01200921563D          

  6  5  0  0  0  0            999 V2000
   -1.0730   -1.1748    2.7107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0485   -0.8703    1.5877 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5612    0.2484    0.6268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3840    0.6259   -0.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8961   -0.5919    2.0549 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2834   -2.6883    0.5324 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
M  END