File: alias.mol

package info (click to toggle)
openbabel 2.4.1%2Bdfsg-3
  • links: PTS, VCS
  • area: main
  • in suites: buster
  • size: 58,308 kB
  • sloc: cpp: 459,210; ansic: 90,514; php: 13,963; python: 7,899; perl: 6,518; pascal: 793; sh: 179; xml: 97; ruby: 64; makefile: 46; java: 23; cs: 14
file content (25 lines) | stat: -rw-r--r-- 656 bytes parent folder | download | duplicates (8)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
Nitrobenzoic acid
 OpenBabel10240915282D

  8  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 *   0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0
    0.0000    0.0000    0.0000 *   0  0  0  0  0
  1  2  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
A    1
NO2
A    8
COOH
M  END