File: ZM374979.sdf

package info (click to toggle)
rdkit 202503.1-5
  • links: PTS, VCS
  • area: main
  • in suites: forky, 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 (99 lines) | stat: -rw-r--r-- 4,310 bytes parent folder | download | duplicates (2) 
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
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
 

  MJ221900                      

 45 49  0  0  1  0  0  0  0  0999 V2000
    2.5006    0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861   -0.2061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0716    0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0716   -0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861    0.2061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2150    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2150    0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9296    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9296    2.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2150    2.6811    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    2.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2150    3.5063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6441    2.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3584    2.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3584    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6441    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -2.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0716   -2.6811    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -2.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -3.5063    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0716   -2.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0716   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2150   -0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296    0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441   -0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296   -2.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296   -3.0938    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2150   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -2.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3584    0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3584    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 14 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 13 21  1  0  0  0  0
  4 22  1  1  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 22 29  1  0  0  0  0
  2 30  1  0  0  0  0
  1 31  2  0  0  0  0
  1 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  3  0  0  0  0
 36 39  1  0  0  0  0
 32 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 34 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 33 45  1  0  0  0  0
M  END