File: SimpleWiggleDoubleBond.sdf

package info (click to toggle)
rdkit 202503.6-3
  • links: PTS, VCS
  • area: main
  • in suites: sid
  • size: 222,000 kB
  • sloc: cpp: 411,111; python: 78,482; ansic: 26,181; java: 8,285; javascript: 4,404; sql: 2,393; yacc: 1,626; lex: 1,267; cs: 1,090; makefile: 581; xml: 229; fortran: 183; sh: 121
file content (16 lines) | stat: -rw-r--r-- 612 bytes parent folder | download | duplicates (8)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16

  MJ221900                      

  6  5  0  0  0  0  0  0  0  0999 V2000
   -5.1674    0.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4137    1.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4137    1.9641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6992    0.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8742    0.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9874   -0.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  4  0  0  0
  2  3  1  0  0  0  0
M  END