summaryrefslogtreecommitdiffstats
path: root/hacks/images/molecules/heroin.pdb
blob: ddb4014d86bad97445304668a24839a534c647a3 (plain) (blame)
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
100
101
102
103
104
105
106
107
HEADER    Diacetylmorphine: Heroin, an opiate
COMPND    al3084
AUTHOR    Created by Dave Woodcock at Okanagan University College
AUTHOR    email:woodcock@okanagan.bc.ca
AUTHOR    Date revised: Wed Aug 30 12:33:12 2000  GENERATED BY BABEL 1.6 
HETATM    1  C           1       0.000   0.000   0.000  1.00  0.00 
HETATM    2  C           1       1.400   0.000   0.000  1.00  0.00 
HETATM    3  C           1       2.108   1.210   0.000  1.00  0.00 
HETATM    4  C           1       1.452   2.447  -0.065  1.00  0.00 
HETATM    5  C           1       0.055   2.457  -0.018  1.00  0.00 
HETATM    6  C           1      -0.624   1.244   0.041  1.00  0.00 
HETATM    7  C           1      -2.081   1.501  -0.201  1.00  0.00 
HETATM    8  C           1      -2.725   0.343  -0.973  1.00  0.00 
HETATM    9  C           1      -2.367  -0.953  -0.210  1.00  0.00 
HETATM   10  C           1      -0.836  -1.236  -0.253  1.00  0.00 
HETATM   11  C           1      -1.913   2.852  -0.934  1.00  0.00 
HETATM   12  C           1      -2.752   1.623   1.177  1.00  0.00 
HETATM   13  C           1      -2.503   0.306   1.943  1.00  0.00 
HETATM   14  N           1      -2.936  -0.856   1.147  1.00  0.00 
HETATM   15  C           1      -2.820  -2.103   1.920  1.00  0.00 
HETATM   16  H           1      -3.807   0.473  -0.972  1.00  0.00 
HETATM   17  C           1      -2.256   0.283  -2.408  1.00  0.00 
HETATM   18  C           1      -1.948   1.398  -3.085  1.00  0.00 
HETATM   19  C           1      -1.494   2.675  -2.413  1.00  0.00 
HETATM   20  H           1      -2.820   3.452  -0.859  1.00  0.00 
HETATM   21  O           1      -0.799   3.480  -0.318  1.00  0.00 
HETATM   22  H           1      -1.885   3.520  -2.982  1.00  0.00 
HETATM   23  O           1      -0.083   2.674  -2.462  1.00  0.00 
HETATM   24  O           1       2.142   3.620  -0.142  1.00  0.00 
HETATM   25  H           1       1.942  -0.945  -0.044  1.00  0.00 
HETATM   26  H           1       3.198   1.180  -0.006  1.00  0.00 
HETATM   27  H           1      -2.866  -1.782  -0.712  1.00  0.00 
HETATM   28  H           1      -0.588  -1.599  -1.250  1.00  0.00 
HETATM   29  H           1      -0.574  -2.010   0.465  1.00  0.00 
HETATM   30  H           1      -3.823   1.785   1.052  1.00  0.00 
HETATM   31  H           1      -2.320   2.456   1.731  1.00  0.00 
HETATM   32  H           1      -3.068   0.334   2.874  1.00  0.00 
HETATM   33  H           1      -1.444   0.211   2.184  1.00  0.00 
HETATM   34  H           1      -3.492  -2.057   2.778  1.00  0.00 
HETATM   35  H           1      -1.799  -2.234   2.280  1.00  0.00 
HETATM   36  H           1      -3.099  -2.953   1.298  1.00  0.00 
HETATM   37  H           1      -2.414  -0.639  -2.967  1.00  0.00 
HETATM   38  H           1      -1.797   1.313  -4.161  1.00  0.00 
HETATM   39  C           1       3.076   3.567  -1.091  1.00  0.00 
HETATM   40  O           1       2.786   3.826  -2.230  1.00  0.00 
HETATM   41  C           1       4.523   3.509  -0.695  1.00  0.00 
HETATM   42  H           1       5.012   2.691  -1.224  1.00  0.00 
HETATM   43  H           1       4.600   3.345   0.380  1.00  0.00 
HETATM   44  H           1       5.008   4.450  -0.954  1.00  0.00 
HETATM   45  C           1       0.390   3.733  -3.117  1.00  0.00 
HETATM   46  O           1       0.845   3.595  -4.223  1.00  0.00 
HETATM   47  C           1       0.417   5.083  -2.459  1.00  0.00 
HETATM   48  H           1       1.199   5.692  -2.913  1.00  0.00 
HETATM   49  H           1       0.619   4.970  -1.395  1.00  0.00 
HETATM   50  H           1      -0.547   5.574  -2.594  1.00  0.00 
CONECT    1    2    2    6   10
CONECT    2    1    1    3   25
CONECT    3    2    4    4   26
CONECT    4    3    3    5   24
CONECT    5    4    6    6   21
CONECT    6    1    5    5    7
CONECT    7    6    8   11   12
CONECT    8    7    9   16   17
CONECT    9    8   10   14   27
CONECT   10    1    9   28   29
CONECT   11    7   19   20   21
CONECT   12    7   13   30   31
CONECT   13   12   14   32   33
CONECT   14    9   13   15
CONECT   15   14   34   35   36
CONECT   16    8
CONECT   17    8   18   18   37
CONECT   18   17   17   19   38
CONECT   19   11   18   22   23
CONECT   20   11
CONECT   21    5   11
CONECT   22   19
CONECT   23   19   45
CONECT   24    4   39
CONECT   25    2
CONECT   26    3
CONECT   27    9
CONECT   28   10
CONECT   29   10
CONECT   30   12
CONECT   31   12
CONECT   32   13
CONECT   33   13
CONECT   34   15
CONECT   35   15
CONECT   36   15
CONECT   37   17
CONECT   38   18
CONECT   39   24   40   40   41
CONECT   40   39   39
CONECT   41   39   42   43   44
CONECT   42   41
CONECT   43   41
CONECT   44   41
CONECT   45   23   46   46   47
CONECT   46   45   45
CONECT   47   45   48   49   50
CONECT   48   47
CONECT   49   47
CONECT   50   47
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END