File: Issue3009337.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 (21 lines) | stat: -rw-r--r-- 797 bytes parent folder | download | duplicates (8)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21

  Marvin  05311006113D          

  8  7  0  0  0  0            999 V2000
    2.4385   -1.2191    0.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3744   -1.5499   -0.3691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0035   -0.9997    0.5036 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6595   -2.3554    0.0412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0778   -2.2837   -0.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2499   -0.1518   -0.2246 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8159    0.3834    0.5707 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0139   -1.2455    1.8452 H   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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  3  8  1  0  0  0  0
M  END