File: iChi1d.mol

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 (23 lines) | stat: -rw-r--r-- 910 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

  Marvin  08200808282D          

  9  9  0  0  0  0            999 V2000
   -0.4420    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1564   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1564   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4420   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2725   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2725   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4420    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8709    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  1  0  0  0
  6  8  1  6  0  0  0
  2  9  1  1  0  0  0
M  END