File: Issue3432136_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-- 680 bytes parent folder | download | duplicates (8)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18

  Mrv0540 11021106412D          

  5  4  0  0  0  0            999 V2000
   -3.4179    0.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7034    0.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9889    0.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7034    1.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2744    0.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
M  STY  1   1 MON
M  SAL   1  5   2   3   4   1   5
M  SDI   1  4   -3.9679   -0.1670   -3.9679    2.1705
M  SDI   1  4   -0.7244    2.1705   -0.7244   -0.1670
M  END