File: ST-0023269.mol

package info (click to toggle)
rdkit 202503.1-4
  • links: PTS, VCS
  • area: main
  • in suites: trixie
  • 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: 578; xml: 229; fortran: 183; sh: 105
file content (43 lines) | stat: -rw-r--r-- 1,771 bytes parent folder | download | duplicates (4)
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
37
38
39
40
41
42
43

Generated by WebMolKit

 18 20  0  0  1  0  0  0  0  0999 V2000
    8.4027   -7.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5783   -6.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0375   -7.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6885   -8.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4109   -9.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0386   -9.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5783  -10.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1106   -9.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7977   -9.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0846   -6.9262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7863   -7.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8736   -5.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3629   -5.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1838   -8.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0137   -7.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2493   -5.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8176   -4.8410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5484   -4.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  1  5  2  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  9  8  2  0  0  0  0
  1 10  1  0  0  0  0
  8  5  1  0  0  0  0
 10 11  2  0  0  0  0
 11  9  1  0  0  0  0
 13 12  2  0  0  0  0
  4 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 13  1  0  0  0  0
  2 16  2  0  0  0  0
 16 17  1  0  0  0  0
  3  2  1  0  0  0  0
  3 12  1  1  0  0  0
 16 18  1  0  0  0  0
M  END