File: AtomProps2.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 (14 lines) | stat: -rw-r--r-- 449 bytes parent folder | download | duplicates (8) 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
 

  -ISIS-  05110910502D

  4  2  0  0  0  0  0  0  0  0999 V2000
   -3.0000   -7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  1  0  0
   -2.2855   -7.4625    0.0000 C   0  0  0  0  0  0  0  0  0  2  0  0
   -2.2855   -6.6375    0.0000 O   0  0  0  0  0  0  0  0  0  3  0  0
   -1.5711   -7.8750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  1  2  1  0  0  0  0
V    2 acidchloride
M  CHG  1   4  -1
V    3 testing
M  END