File: github1049.1.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 (18 lines) | stat: -rw-r--r-- 694 bytes parent folder | download | duplicates (5)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18

  Mrv1561 09011607282D

  7  6  0  0  0  0            999 V2000
   -2.4330    0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7186    0.7920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0041    0.3795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7186    1.6170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1475    0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4330   -0.4455    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1475   -0.0330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
M  END