File: Issue3432136_1.mol

package info (click to toggle)
rdkit 202503.1-5
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid
  • size: 220,160 kB
  • sloc: cpp: 399,240; python: 77,453; ansic: 25,517; java: 8,173; javascript: 4,005; sql: 2,389; yacc: 1,565; lex: 1,263; cs: 1,081; makefile: 580; xml: 229; fortran: 183; sh: 105
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