File: github741.v3k.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 (17 lines) | stat: -rw-r--r-- 319 bytes parent folder | download | duplicates (6) 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
 

  Mrv1561 02131605162D

  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 3 2 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -4.375 4.8333 0 0
M  V30 2 BR -3.0413 5.6033 0 0
M  V30 3 Br -5.7087 5.6033 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 END BOND
M  V30 END CTAB
M  END