File: a4328b217171f6149e2e596f8a92f08682b5e1f0

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 (14 lines) | stat: -rw-r--r-- 476 bytes parent folder | download | duplicates (6)
1
2
3
4
5
6
7
8
9
10
11
12
13
14

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    1.8044   -0.0235   -0.4818 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8533   -0.3203    0.5803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5271   -0.0428    0.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2764   -0.8720   -0.4301 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8543    1.2586    0.2647 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
M  END000