File: mrv-sma.mol

package info (click to toggle)
rdkit 202209.3-1
  • links: PTS, VCS
  • area: main
  • in suites: bookworm
  • size: 203,880 kB
  • sloc: cpp: 334,239; python: 80,247; ansic: 24,579; java: 7,667; sql: 2,123; yacc: 1,884; javascript: 1,358; lex: 1,260; makefile: 576; xml: 229; fortran: 183; cs: 181; sh: 101
file content (16 lines) | stat: -rw-r--r-- 522 bytes parent folder | download | duplicates (5)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
 
  MJ150720                      

  4  3  0  0  0  0  0  0  0  0999 V2000
    1.2375   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  1  0  0
    2.0625   -0.7144    0.0000 S   0  0  0  0  0  0  0  0  0  2  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  3  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  4  0  0
  1  2  1  0  0  0  0
  1  3  4  0  0  0  0
  3  4  1  0  0  0  0
M  MRV SMA   1 [#6;r6]
M  MRV SMA   2 [#16;H1]
M  MRV SMA   3 [#6;r6]
M  MRV SMA   4 [#7;H2A]
M  END