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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
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