summaryrefslogtreecommitdiffstats
path: root/hacks/images/molecules/sucrose.pdb
blob: 2a75f22f42dbd4587b00853207ba6746ed95086b (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
HEADER    Sucrose: Sugar
COMPND    nat0013
AUTHOR    Created by Dave Woodcock at Okanagan University College
AUTHOR    email:woodcock@okanagan.bc.ca
AUTHOR    Date revised: Fri Sep  1 09:41:05 2000  GENERATED BY BABEL 1.6 
HETATM    1  C           1       0.000   0.000   0.000  1.00  0.00 
HETATM    2  C           1       1.542   0.000   0.000  1.00  0.00 
HETATM    3  C           1       2.041   1.457   0.000  1.00  0.00 
HETATM    4  C           1       1.414   2.181   1.207  1.00  0.00 
HETATM    5  C           1      -0.117   2.034   1.128  1.00  0.00 
HETATM    6  O           1      -0.472   0.668   1.149  1.00  0.00 
HETATM    7  H           1      -0.566   2.548   1.978  1.00  0.00 
HETATM    8  O           1      -0.572   2.607  -0.076  1.00  0.00 
HETATM    9  C           1      -1.867   3.149  -0.193  1.00  0.00 
HETATM   10  C           1      -1.993   3.815  -1.579  1.00  0.00 
HETATM   11  C           1      -2.960   2.084  -0.002  1.00  0.00 
HETATM   12  O           1      -2.117   4.104   0.816  1.00  0.00 
HETATM   13  C           1      -3.516   4.220   0.978  1.00  0.00 
HETATM   14  C           1      -4.167   2.959   0.369  1.00  0.00 
HETATM   15  H           1      -0.368   0.500  -0.896  1.00  0.00 
HETATM   16  H           1       1.901  -0.501   0.899  1.00  0.00 
HETATM   17  H           1       1.728   1.949  -0.923  1.00  0.00 
HETATM   18  H           1       1.774   1.726   2.130  1.00  0.00 
HETATM   19  H           1      -1.836   3.065  -2.355  1.00  0.00 
HETATM   20  H           1      -2.981   4.259  -1.698  1.00  0.00 
HETATM   21  H           1      -3.133   1.511  -0.914  1.00  0.00 
HETATM   22  H           1      -3.871   5.100   0.441  1.00  0.00 
HETATM   23  H           1      -4.821   2.452   1.081  1.00  0.00 
HETATM   24  C           1      -3.859   4.364   2.474  1.00  0.00 
HETATM   25  O           1      -5.279   4.442   2.639  1.00  0.00 
HETATM   26  O           1      -4.897   3.325  -0.807  1.00  0.00 
HETATM   27  O           1      -2.638   1.202   1.079  1.00  0.00 
HETATM   28  O           1      -0.995   4.834  -1.694  1.00  0.00 
HETATM   29  C           1      -0.513  -1.453   0.003  1.00  0.00 
HETATM   30  O           1      -1.944  -1.459  -0.055  1.00  0.00 
HETATM   31  O           1       2.039  -0.690  -1.152  1.00  0.00 
HETATM   32  O           1       3.468   1.480   0.101  1.00  0.00 
HETATM   33  O           1       1.772   3.567   1.189  1.00  0.00 
HETATM   34  H           1      -3.396   5.270   2.866  1.00  0.00 
HETATM   35  H           1      -3.480   3.504   3.024  1.00  0.00 
HETATM   36  H           1      -5.622   5.216   2.180  1.00  0.00 
HETATM   37  H           1      -5.302   2.544  -1.199  1.00  0.00 
HETATM   38  H           1      -2.661   1.671   1.919  1.00  0.00 
HETATM   39  H           1      -1.056   5.255  -2.558  1.00  0.00 
HETATM   40  H           1      -0.180  -1.958   0.910  1.00  0.00 
HETATM   41  H           1      -0.118  -1.977  -0.868  1.00  0.00 
HETATM   42  H           1      -2.305  -1.058   0.741  1.00  0.00 
HETATM   43  H           1       1.728  -0.261  -1.956  1.00  0.00 
HETATM   44  H           1       3.781   2.391   0.099  1.00  0.00 
HETATM   45  H           1       1.428   3.987   0.394  1.00  0.00 
CONECT    1    2    6   15   29
CONECT    2    1    3   16   31
CONECT    3    2    4   17   32
CONECT    4    3    5   18   33
CONECT    5    4    6    7    8
CONECT    6    1    5
CONECT    7    5
CONECT    8    5    9
CONECT    9    8   10   11   12
CONECT   10    9   19   20   28
CONECT   11    9   14   21   27
CONECT   12    9   13
CONECT   13   12   14   22   24
CONECT   14   11   13   23   26
CONECT   15    1
CONECT   16    2
CONECT   17    3
CONECT   18    4
CONECT   19   10
CONECT   20   10
CONECT   21   11
CONECT   22   13
CONECT   23   14
CONECT   24   13   25   34   35
CONECT   25   24   36
CONECT   26   14   37
CONECT   27   11   38
CONECT   28   10   39
CONECT   29    1   30   40   41
CONECT   30   29   42
CONECT   31    2   43
CONECT   32    3   44
CONECT   33    4   45
CONECT   34   24
CONECT   35   24
CONECT   36   25
CONECT   37   26
CONECT   38   27
CONECT   39   28
CONECT   40   29
CONECT   41   29
CONECT   42   30
CONECT   43   31
CONECT   44   32
CONECT   45   33
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END