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Diffstat (limited to 'hacks/images/molecules/cocaine.pdb')
| -rw-r--r-- | hacks/images/molecules/cocaine.pdb | 93 |
1 files changed, 93 insertions, 0 deletions
diff --git a/hacks/images/molecules/cocaine.pdb b/hacks/images/molecules/cocaine.pdb new file mode 100644 index 0000000..30c826f --- /dev/null +++ b/hacks/images/molecules/cocaine.pdb @@ -0,0 +1,93 @@ +HEADER Cocaine: Carboxylicacid methyl ester, an anesthetic +COMPND al3078 +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 1.399 0.000 0.000 1.00 0.00 +HETATM 3 C 1 2.099 1.211 0.000 1.00 0.00 +HETATM 4 C 1 1.400 2.423 -0.002 1.00 0.00 +HETATM 5 C 1 0.001 2.423 -0.007 1.00 0.00 +HETATM 6 C 1 -0.700 1.213 -0.005 1.00 0.00 +HETATM 7 C 1 -2.156 1.218 -0.022 1.00 0.00 +HETATM 8 O 1 -2.759 0.175 -0.044 1.00 0.00 +HETATM 9 O 1 -2.806 2.379 -0.075 1.00 0.00 +HETATM 10 C 1 -4.168 2.239 0.272 1.00 0.00 +HETATM 11 C 1 -4.872 3.590 0.031 1.00 0.00 +HETATM 12 C 1 -4.061 4.678 0.674 1.00 0.00 +HETATM 13 O 1 -4.560 5.346 1.542 1.00 0.00 +HETATM 14 O 1 -2.741 4.690 0.497 1.00 0.00 +HETATM 15 C 1 -2.091 5.352 1.560 1.00 0.00 +HETATM 16 C 1 -6.281 3.587 0.659 1.00 0.00 +HETATM 17 N 1 -6.101 3.424 2.109 1.00 0.00 +HETATM 18 C 1 -7.084 2.348 0.212 1.00 0.00 +HETATM 19 C 1 -6.737 1.277 1.267 1.00 0.00 +HETATM 20 C 1 -5.765 1.998 2.226 1.00 0.00 +HETATM 21 C 1 -4.304 1.831 1.755 1.00 0.00 +HETATM 22 C 1 -7.322 3.768 2.857 1.00 0.00 +HETATM 23 H 1 -0.544 -0.944 -0.002 1.00 0.00 +HETATM 24 H 1 1.944 -0.944 0.000 1.00 0.00 +HETATM 25 H 1 3.189 1.211 0.001 1.00 0.00 +HETATM 26 H 1 1.945 3.367 -0.004 1.00 0.00 +HETATM 27 H 1 -0.544 3.368 -0.019 1.00 0.00 +HETATM 28 H 1 -4.624 1.481 -0.363 1.00 0.00 +HETATM 29 H 1 -4.942 3.777 -1.041 1.00 0.00 +HETATM 30 H 1 -2.425 6.389 1.609 1.00 0.00 +HETATM 31 H 1 -2.320 4.851 2.501 1.00 0.00 +HETATM 32 H 1 -1.014 5.330 1.395 1.00 0.00 +HETATM 33 H 1 -6.802 4.513 0.416 1.00 0.00 +HETATM 34 H 1 -6.806 2.035 -0.795 1.00 0.00 +HETATM 35 H 1 -8.152 2.564 0.250 1.00 0.00 +HETATM 36 H 1 -6.275 0.397 0.819 1.00 0.00 +HETATM 37 H 1 -7.641 0.988 1.803 1.00 0.00 +HETATM 38 H 1 -5.872 1.638 3.249 1.00 0.00 +HETATM 39 H 1 -3.995 0.793 1.881 1.00 0.00 +HETATM 40 H 1 -3.664 2.470 2.364 1.00 0.00 +HETATM 41 H 1 -8.166 3.167 2.523 1.00 0.00 +HETATM 42 H 1 -7.551 4.823 2.706 1.00 0.00 +HETATM 43 H 1 -7.155 3.591 3.920 1.00 0.00 +CONECT 1 2 2 6 23 +CONECT 2 1 1 3 24 +CONECT 3 2 4 4 25 +CONECT 4 3 3 5 26 +CONECT 5 4 6 6 27 +CONECT 6 1 5 5 7 +CONECT 7 6 8 8 9 +CONECT 8 7 7 +CONECT 9 7 10 +CONECT 10 9 11 21 28 +CONECT 11 10 12 16 29 +CONECT 12 11 13 13 14 +CONECT 13 12 12 +CONECT 14 12 15 +CONECT 15 14 30 31 32 +CONECT 16 11 17 18 33 +CONECT 17 16 20 22 +CONECT 18 16 19 34 35 +CONECT 19 18 20 36 37 +CONECT 20 17 19 21 38 +CONECT 21 10 20 39 40 +CONECT 22 17 41 42 43 +CONECT 23 1 +CONECT 24 2 +CONECT 25 3 +CONECT 26 4 +CONECT 27 5 +CONECT 28 10 +CONECT 29 11 +CONECT 30 15 +CONECT 31 15 +CONECT 32 15 +CONECT 33 16 +CONECT 34 18 +CONECT 35 18 +CONECT 36 19 +CONECT 37 19 +CONECT 38 20 +CONECT 39 21 +CONECT 40 21 +CONECT 41 22 +CONECT 42 22 +CONECT 43 22 +MASTER 0 0 0 0 0 0 0 0 43 0 43 0 +END |