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Diffstat (limited to 'hacks/images/molecules/heroin.pdb')
| -rw-r--r-- | hacks/images/molecules/heroin.pdb | 107 |
1 files changed, 107 insertions, 0 deletions
diff --git a/hacks/images/molecules/heroin.pdb b/hacks/images/molecules/heroin.pdb new file mode 100644 index 0000000..ddb4014 --- /dev/null +++ b/hacks/images/molecules/heroin.pdb @@ -0,0 +1,107 @@ +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 |