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