File: small1.mol

package info (click to toggle)
rdkit 201809.1%2Bdfsg-6
  • links: PTS, VCS
  • area: main
  • in suites: buster
  • size: 123,688 kB
  • sloc: cpp: 230,509; python: 70,501; java: 6,329; ansic: 5,427; sql: 1,899; yacc: 1,739; lex: 1,243; makefile: 445; xml: 229; fortran: 183; sh: 123; cs: 93
file content (22 lines) | stat: -rw-r--r-- 674 bytes parent folder | download | duplicates (15) 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
 
small.mol


  9  8  0  0  0                 1 V2000
    0.6262   -0.3947    0.6100 C   0  0  0  0  0
   -0.5510    0.0551    0.1636 C   0  0  0  0  0
   -0.6574    0.9436   -1.0365 C   0  0  0  0  0
    0.6606   -1.0536    1.4900 H   0  0  0  0  0
    1.5598   -0.1185    0.0981 H   0  0  0  0  0
   -1.4685   -0.2290    0.6997 H   0  0  0  0  0
   -1.7276    1.1305   -1.2780 H   0  0  0  0  0
   -0.1672    0.4615   -1.9117 H   0  0  0  0  0
   -0.1560    1.9167   -0.8353 H   0  0  0  0  0
  1  2  2  0  0  0
  1  4  1  1  0  0
  1  5  1  6  0  0
  2  3  1  6  0  0
  2  6  1  1  0  0
  3  7  1  0  0  0
  3  8  1  6  0  0
  3  9  1  0  0  0
M  END