File: Issue3483968.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 (80 lines) | stat: -rw-r--r-- 3,431 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
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80

          11280715082D 1   1.00000     0.00000     0

 35 40  0     0  0            999 V2000
    4.6167   -1.6125    0.0000 N   0  0  3  0  0  0           0  0  0
    5.1167   -1.2875    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4750   -2.7542    0.0000 N   0  0  3  0  0  0           0  0  0
    4.0625   -1.2042    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7750   -2.2375    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5750   -1.5542    0.0000 C   0  0  0  0  0  0           0  0  0
    7.4167   -2.9542    0.0000 N   0  0  0  0  0  0           0  0  0
    4.6667   -3.7792    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0042   -3.8167    0.0000 O   0  0  0  0  0  0           0  0  0
    6.1000   -1.3625    0.0000 N   0  0  0  0  0  0           0  0  0
    4.7667   -2.1917    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7167   -2.1292    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5792   -1.6667    0.0000 C   0  0  3  0  0  0           0  0  0
    6.8750   -3.2000    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9667   -4.3042    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3625   -5.3375    0.0000 N   0  0  0  0  0  0           0  0  0
    4.6667   -4.8167    0.0000 C   0  0  0  0  0  0           0  0  0
    7.3625   -2.3625    0.0000 C   0  0  0  0  0  0           0  0  0
    6.6167   -1.6542    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8667   -2.7500    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3667   -2.2250    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1125   -0.6875    0.0000 O   0  0  0  0  0  0           0  0  0
    3.7125   -3.1667    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9667   -3.2625    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0125   -2.6500    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5667   -3.2667    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5667   -4.3042    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8667   -3.7792    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0000   -0.6125    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1125   -2.1250    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0292   -1.3125    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8042   -2.6417    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1042   -3.1667    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4542   -0.3667    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9667   -0.7167    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  5  1  0     0  0
  4  1  1  0     0  0
  5 19  1  0     0  0
  6  4  2  0     0  0
  7 18  1  0     0  0
  8  9  1  0     0  0
  9 23  1  0     0  0
 10 13  1  0     0  0
 11  1  1  0     0  0
 12  6  1  0     0  0
 13  2  1  0     0  0
 14  3  1  0     0  0
 15  8  2  0     0  0
 16 17  3  0     0  0
 17 15  1  0     0  0
 18  5  2  0     0  0
 19 10  1  0     0  0
 20  3  1  0     0  0
 21 11  1  0     0  0
 22  2  2  0     0  0
 23 25  2  0     0  0
 24  8  1  0     0  0
 25 12  1  0     0  0
 26 20  1  0     0  0
 27 15  1  0     0  0
 28 26  1  0     0  0
 29  4  1  0     0  0
 30 12  2  0     0  0
 31  6  1  0     0  0
 32 30  1  0     0  0
 33 32  2  0     0  0
 34 29  2  0     0  0
 35 34  1  0     0  0
 13 21  1  0     0  0
 31 35  2  0     0  0
 23 33  1  0     0  0
  7 14  2  0     0  0
 24 26  2  0     0  0
 28 27  2  0     0  0
M  END