1 HEADER Diacetylmorphine: Heroin, an opiate
3 AUTHOR Created by Dave Woodcock at Okanagan University College
4 AUTHOR email:woodcock@okanagan.bc.ca
5 AUTHOR Date revised: Wed Aug 30 12:33:12 2000 GENERATED BY BABEL 1.6
6 HETATM 1 C 1 0.000 0.000 0.000 1.00 0.00
7 HETATM 2 C 1 1.400 0.000 0.000 1.00 0.00
8 HETATM 3 C 1 2.108 1.210 0.000 1.00 0.00
9 HETATM 4 C 1 1.452 2.447 -0.065 1.00 0.00
10 HETATM 5 C 1 0.055 2.457 -0.018 1.00 0.00
11 HETATM 6 C 1 -0.624 1.244 0.041 1.00 0.00
12 HETATM 7 C 1 -2.081 1.501 -0.201 1.00 0.00
13 HETATM 8 C 1 -2.725 0.343 -0.973 1.00 0.00
14 HETATM 9 C 1 -2.367 -0.953 -0.210 1.00 0.00
15 HETATM 10 C 1 -0.836 -1.236 -0.253 1.00 0.00
16 HETATM 11 C 1 -1.913 2.852 -0.934 1.00 0.00
17 HETATM 12 C 1 -2.752 1.623 1.177 1.00 0.00
18 HETATM 13 C 1 -2.503 0.306 1.943 1.00 0.00
19 HETATM 14 N 1 -2.936 -0.856 1.147 1.00 0.00
20 HETATM 15 C 1 -2.820 -2.103 1.920 1.00 0.00
21 HETATM 16 H 1 -3.807 0.473 -0.972 1.00 0.00
22 HETATM 17 C 1 -2.256 0.283 -2.408 1.00 0.00
23 HETATM 18 C 1 -1.948 1.398 -3.085 1.00 0.00
24 HETATM 19 C 1 -1.494 2.675 -2.413 1.00 0.00
25 HETATM 20 H 1 -2.820 3.452 -0.859 1.00 0.00
26 HETATM 21 O 1 -0.799 3.480 -0.318 1.00 0.00
27 HETATM 22 H 1 -1.885 3.520 -2.982 1.00 0.00
28 HETATM 23 O 1 -0.083 2.674 -2.462 1.00 0.00
29 HETATM 24 O 1 2.142 3.620 -0.142 1.00 0.00
30 HETATM 25 H 1 1.942 -0.945 -0.044 1.00 0.00
31 HETATM 26 H 1 3.198 1.180 -0.006 1.00 0.00
32 HETATM 27 H 1 -2.866 -1.782 -0.712 1.00 0.00
33 HETATM 28 H 1 -0.588 -1.599 -1.250 1.00 0.00
34 HETATM 29 H 1 -0.574 -2.010 0.465 1.00 0.00
35 HETATM 30 H 1 -3.823 1.785 1.052 1.00 0.00
36 HETATM 31 H 1 -2.320 2.456 1.731 1.00 0.00
37 HETATM 32 H 1 -3.068 0.334 2.874 1.00 0.00
38 HETATM 33 H 1 -1.444 0.211 2.184 1.00 0.00
39 HETATM 34 H 1 -3.492 -2.057 2.778 1.00 0.00
40 HETATM 35 H 1 -1.799 -2.234 2.280 1.00 0.00
41 HETATM 36 H 1 -3.099 -2.953 1.298 1.00 0.00
42 HETATM 37 H 1 -2.414 -0.639 -2.967 1.00 0.00
43 HETATM 38 H 1 -1.797 1.313 -4.161 1.00 0.00
44 HETATM 39 C 1 3.076 3.567 -1.091 1.00 0.00
45 HETATM 40 O 1 2.786 3.826 -2.230 1.00 0.00
46 HETATM 41 C 1 4.523 3.509 -0.695 1.00 0.00
47 HETATM 42 H 1 5.012 2.691 -1.224 1.00 0.00
48 HETATM 43 H 1 4.600 3.345 0.380 1.00 0.00
49 HETATM 44 H 1 5.008 4.450 -0.954 1.00 0.00
50 HETATM 45 C 1 0.390 3.733 -3.117 1.00 0.00
51 HETATM 46 O 1 0.845 3.595 -4.223 1.00 0.00
52 HETATM 47 C 1 0.417 5.083 -2.459 1.00 0.00
53 HETATM 48 H 1 1.199 5.692 -2.913 1.00 0.00
54 HETATM 49 H 1 0.619 4.970 -1.395 1.00 0.00
55 HETATM 50 H 1 -0.547 5.574 -2.594 1.00 0.00
100 CONECT 45 23 46 46 47
102 CONECT 47 45 48 49 50
106 MASTER 0 0 0 0 0 0 0 0 50 0 50 0