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