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  • Committer: Bazaar Package Importer
  • Author(s): Robert Ancell
  • Date: 2010-11-17 15:40:52 UTC
  • mfrom: (1.1.10 upstream)
  • Revision ID: james.westby@ubuntu.com-20101117154052-w4ou7vty38gpp1r3
Tags: 5.12-0ubuntu1
New upstream release

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1
HEADER    Salvinorin A: A dissociative hallucinogen, kappa opioid receptor agonist
 
2
ATOM      1  O           0      -1.578   3.509   1.054  0.00  0.00           O+0
 
3
ATOM      2  O           0      -0.661  -3.341  -1.950  0.00  0.00           O+0
 
4
ATOM      3  O           0      -0.961  -0.736  -2.292  0.00  0.00           O+0
 
5
ATOM      4  O           0       0.223   4.284   1.789  0.00  0.00           O+0
 
6
ATOM      5  O           0       4.133  -2.520   1.067  0.00  0.00           O+0
 
7
ATOM      6  O           0       4.305  -2.225  -1.047  0.00  0.00           O+0
 
8
ATOM      7  O           0      -5.473   1.972   2.519  0.00  0.00           O+0
 
9
ATOM      8  O           0      -1.864  -4.598  -3.067  0.00  0.00           O+0
 
10
ATOM      9  C           0       1.875  -0.263  -0.355  0.00  0.00           C+0
 
11
ATOM     10  C           0      -0.335   1.379  -0.322  0.00  0.00           C+0
 
12
ATOM     11  C           0       0.290  -0.090  -0.402  0.00  0.00           C+0
 
13
ATOM     12  C           0       0.295   2.080   0.949  0.00  0.00           C+0
 
14
ATOM     13  C           0       2.416   0.613   0.838  0.00  0.00           C+0
 
15
ATOM     14  C           0       2.218  -1.798  -0.082  0.00  0.00           C+0
 
16
ATOM     15  C           0       1.854   2.057   0.955  0.00  0.00           C+0
 
17
ATOM     16  C           0      -1.892   1.349  -0.054  0.00  0.00           C+0
 
18
ATOM     17  C           0      -0.312  -1.076  -1.312  0.00  0.00           C+0
 
19
ATOM     18  C           0       1.427  -2.783  -1.008  0.00  0.00           C+0
 
20
ATOM     19  C           0       2.599   0.182  -1.678  0.00  0.00           C+0
 
21
ATOM     20  C           0      -0.152   2.242  -1.623  0.00  0.00           C+0
 
22
ATOM     21  C           0      -0.102  -2.502  -1.056  0.00  0.00           C+0
 
23
ATOM     22  C           0      -2.483   2.720   0.438  0.00  0.00           C+0
 
24
ATOM     23  C           0      -0.364   3.344   1.274  0.00  0.00           C+0
 
25
ATOM     24  C           0       3.632  -2.188  -0.023  0.00  0.00           C+0
 
26
ATOM     25  C           0      -3.721   2.668   1.259  0.00  0.00           C+0
 
27
ATOM     26  C           0      -4.516   3.764   1.594  0.00  0.00           C+0
 
28
ATOM     27  C           0      -4.363   1.580   1.857  0.00  0.00           C+0
 
29
ATOM     28  C           0      -1.768  -3.894  -2.073  0.00  0.00           C+0
 
30
ATOM     29  C           0       5.353  -2.949   1.401  0.00  0.00           C+0
 
31
ATOM     30  C           0      -5.577   3.309   2.365  0.00  0.00           C+0
 
32
ATOM     31  C           0      -2.903  -3.782  -1.178  0.00  0.00           C+0
 
33
ATOM     32  H           0      -0.032  -0.494   0.566  0.00  0.00           H+0
 
34
ATOM     33  H           0       0.021   1.488   1.831  0.00  0.00           H+0
 
35
ATOM     34  H           0       2.176   0.125   1.788  0.00  0.00           H+0
 
36
ATOM     35  H           0       3.509   0.668   0.818  0.00  0.00           H+0
 
37
ATOM     36  H           0       1.806  -2.023   0.910  0.00  0.00           H+0
 
38
ATOM     37  H           0       2.250   2.682   0.154  0.00  0.00           H+0
 
39
ATOM     38  H           0       2.226   2.485   1.891  0.00  0.00           H+0
 
40
ATOM     39  H           0      -2.454   1.020  -0.933  0.00  0.00           H+0
 
41
ATOM     40  H           0      -2.074   0.590   0.706  0.00  0.00           H+0
 
42
ATOM     41  H           0       1.574  -3.811  -0.660  0.00  0.00           H+0
 
43
ATOM     42  H           0       1.827  -2.744  -2.026  0.00  0.00           H+0
 
44
ATOM     43  H           0       2.260  -0.386  -2.545  0.00  0.00           H+0
 
45
ATOM     44  H           0       2.509   1.228  -1.923  0.00  0.00           H+0
 
46
ATOM     45  H           0       3.681   0.081  -1.611  0.00  0.00           H+0
 
47
ATOM     46  H           0      -0.558   1.749  -2.507  0.00  0.00           H+0
 
48
ATOM     47  H           0      -0.638   3.215  -1.562  0.00  0.00           H+0
 
49
ATOM     48  H           0       0.868   2.520  -1.836  0.00  0.00           H+0
 
50
ATOM     49  H           0      -0.497  -2.735  -0.061  0.00  0.00           H+0
 
51
ATOM     50  H           0      -2.764   3.279  -0.460  0.00  0.00           H+0
 
52
ATOM     51  H           0      -4.357   4.736   1.321  0.00  0.00           H+0
 
53
ATOM     52  H           0      -4.064   0.605   1.821  0.00  0.00           H+0
 
54
ATOM     53  H           0       5.360  -3.151   2.472  0.00  0.00           H+0
 
55
ATOM     54  H           0       6.112  -2.193   1.186  0.00  0.00           H+0
 
56
ATOM     55  H           0       5.605  -3.873   0.875  0.00  0.00           H+0
 
57
ATOM     56  H           0      -6.323   3.886   2.756  0.00  0.00           H+0
 
58
ATOM     57  H           0      -3.222  -2.742  -1.105  0.00  0.00           H+0
 
59
ATOM     58  H           0      -2.636  -4.143  -0.184  0.00  0.00           H+0
 
60
ATOM     59  H           0      -3.759  -4.370  -1.521  0.00  0.00           H+0
 
61
CONECT    1   22   23    0    0                                         NONE  65
 
62
CONECT    2   21   28    0    0                                         NONE  66
 
63
CONECT    3   17    0    0    0                                         NONE  67
 
64
CONECT    4   23    0    0    0                                         NONE  68
 
65
CONECT    5   24   29    0    0                                         NONE  69
 
66
CONECT    6   24    0    0    0                                         NONE  70
 
67
CONECT    7   27   30    0    0                                         NONE  71
 
68
CONECT    8   28    0    0    0                                         NONE  72
 
69
CONECT    9   11   13   14   19                                         NONE  73
 
70
CONECT   10   11   12   16   20                                         NONE  74
 
71
CONECT   11    9   10   17   32                                         NONE  75
 
72
CONECT   12   10   15   23   33                                         NONE  76
 
73
CONECT   13    9   15   34   35                                         NONE  77
 
74
CONECT   14    9   18   24   36                                         NONE  78
 
75
CONECT   15   12   13   37   38                                         NONE  79
 
76
CONECT   16   10   22   39   40                                         NONE  80
 
77
CONECT   17    3   11   21    0                                         NONE  81
 
78
CONECT   18   14   21   41   42                                         NONE  82
 
79
CONECT   19    9   43   44   45                                         NONE  83
 
80
CONECT   20   10   46   47   48                                         NONE  84
 
81
CONECT   21    2   17   18   49                                         NONE  85
 
82
CONECT   22    1   16   25   50                                         NONE  86
 
83
CONECT   23    1    4   12    0                                         NONE  87
 
84
CONECT   24    5    6   14    0                                         NONE  88
 
85
CONECT   25   22   26   27    0                                         NONE  89
 
86
CONECT   26   25   30   51    0                                         NONE  90
 
87
CONECT   27    7   25   52    0                                         NONE  91
 
88
CONECT   28    2    8   31    0                                         NONE  92
 
89
CONECT   29    5   53   54   55                                         NONE  93
 
90
CONECT   30    7   26   56    0                                         NONE  94
 
91
CONECT   31   28   57   58   59                                         NONE  95
 
92
END                                                                     NONE  96