File: Issue3238580.2.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 (36 lines) | stat: -rw-r--r-- 1,486 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
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
 



 15 16  0  0  0  0  0  0  0  0  1 V2000
    0.0       0.0       0.0    C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0       0.0       0.0    C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0       0.0       0.0    C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0       0.0       0.0    C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0       0.0       0.0    C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0       0.0       0.0    C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0       0.0       0.0    H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0       0.0       0.0    H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0       0.0       0.0    H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0       0.0       0.0    H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0       0.0       0.0    H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0       0.0       0.0    H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0       0.0       0.0    O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0       0.0       0.0    H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0       0.0       0.0    H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 14  1  0  0  0  0
  3 13  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  5 15  1  0  0  0  0
M  END