File: AmideBond.rxn

package info (click to toggle)
rdkit 201809.1%2Bdfsg-6
  • links: PTS, VCS
  • area: main
  • in suites: buster
  • size: 123,688 kB
  • sloc: cpp: 230,509; python: 70,501; java: 6,329; ansic: 5,427; sql: 1,899; yacc: 1,739; lex: 1,243; makefile: 445; xml: 229; fortran: 183; sh: 123; cs: 93
file content (34 lines) | stat: -rw-r--r-- 851 bytes parent folder | download | duplicates (16)
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
26
27
28
29
30
31
32
33
34
$RXN

      ISIS     082120061354

  2  1
$MOL

  -ISIS-  08210613542D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -1.4340   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  2  0  0
   -0.8639   -0.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4340    0.0542    0.0000 O   0  0  0  0  0  0  0  0  0  1  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
M  END
$MOL

  -ISIS-  08210613542D

  1  0  0  0  0  0  0  0  0  0999 V2000
    2.2125   -0.7833    0.0000 N   0  0  0  0  0  0  0  0  0  3  0  0
M  END
$MOL

  -ISIS-  08210613542D

  3  2  0  0  0  0  0  0  0  0999 V2000
    9.5282   -0.8083    0.0000 N   0  0  0  0  0  0  0  0  0  3  0  0
    8.9579   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  2  0  0
    8.9579    0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  1  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
M  END