File: badringstereochem2.mol

package info (click to toggle)
rdkit 202503.1-5
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid
  • size: 220,160 kB
  • sloc: cpp: 399,240; python: 77,453; ansic: 25,517; java: 8,173; javascript: 4,005; sql: 2,389; yacc: 1,565; lex: 1,263; cs: 1,081; makefile: 580; xml: 229; fortran: 183; sh: 105
file content (22 lines) | stat: -rw-r--r-- 846 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
badringstereochem2.mol
  ChemDraw06050708582D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -1.4290    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.6188    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4290   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  7  2  0      
  3  5  1  0      
  1  2  1  0      
  1  3  1  0      
  2  4  1  0      
  4  6  1  0      
  5  6  1  0      
  7  8  2  0      
M  CHG  1   7   1
M  END