File: RP-6306.sdf

package info (click to toggle)
rdkit 202503.1-5
  • links: PTS, VCS
  • area: main
  • in suites: 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 (55 lines) | stat: -rw-r--r-- 2,334 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
44
45
46
47
48
49
50
51
52
53
54
55

  MJ221900                      

 24 26  0  0  1  0  0  0  0  0999 V2000
    2.0992    3.5589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6621    0.1505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0637    0.4452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2247   -1.0498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3998    1.7516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2182    1.5087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8122   -0.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0126   -0.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8255    1.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3998    0.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2640    0.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6554    2.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6096    1.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -1.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0126   -1.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8122   -1.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2694    2.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2236    1.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0482    0.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8712    2.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7797    0.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0535    2.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -2.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2247   -2.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 19  2  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  7  1  0  0  0  0
  4 16  2  0  0  0  0
  5 10  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  2  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  2  0  0  0  0
 11 19  1  0  0  0  0
 12 17  2  0  0  0  0
 12 20  1  0  0  0  0
 13 18  1  0  0  0  0
 13 21  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 22  1  0  0  0  0
 18 22  2  0  0  0  0
M  END