blob: c4cbef29f3283e2173d5b40306e00a36e23adb9c (
plain) (
blame)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
|
HEADER Adrenochrome: a nerve cell transmission inhibitor, and hallucinogen
COMPND adrenochrome
AUTHOR Created by Dave Woodcock at Okanagan University College
AUTHOR email:woodcock@okanagan.bc.ca
AUTHOR Date revised: Tue Aug 29 08:56:34 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 2.056 1.235 0.000 1.00 0.00
HETATM 4 C 1 1.351 2.436 -0.011 1.00 0.00
HETATM 5 C 1 -0.047 2.437 -0.027 1.00 0.00
HETATM 6 C 1 -0.714 1.206 -0.013 1.00 0.00
HETATM 7 O 1 -0.597 -1.046 -0.002 1.00 0.00
HETATM 8 O 1 -1.918 1.181 -0.023 1.00 0.00
HETATM 9 N 1 2.243 3.571 -0.065 1.00 0.00
HETATM 10 C 1 1.825 4.648 0.846 1.00 0.00
HETATM 11 C 1 3.553 3.011 0.321 1.00 0.00
HETATM 12 C 1 3.538 1.506 -0.050 1.00 0.00
HETATM 13 H 1 4.088 0.906 0.675 1.00 0.00
HETATM 14 O 1 4.023 1.295 -1.381 1.00 0.00
HETATM 15 H 1 1.962 -0.934 -0.006 1.00 0.00
HETATM 16 H 1 -0.608 3.370 -0.059 1.00 0.00
HETATM 17 H 1 1.674 4.250 1.849 1.00 0.00
HETATM 18 H 1 0.895 5.089 0.489 1.00 0.00
HETATM 19 H 1 2.596 5.418 0.873 1.00 0.00
HETATM 20 H 1 3.683 3.101 1.400 1.00 0.00
HETATM 21 H 1 4.364 3.531 -0.190 1.00 0.00
HETATM 22 H 1 4.963 1.501 -1.423 1.00 0.00
CONECT 1 2 6 7
CONECT 1 7
CONECT 2 1 3 15
CONECT 2 3
CONECT 3 2 4 12
CONECT 4 3 5 9
CONECT 4 5
CONECT 5 4 6 16
CONECT 6 1 5 8
CONECT 6 8
CONECT 7 1
CONECT 8 6
CONECT 9 4 10 11
CONECT 10 9 17 18 19
CONECT 11 9 12 20 21
CONECT 12 3 11 13 14
CONECT 13 12
CONECT 14 12 22
CONECT 15 2
CONECT 16 5
CONECT 17 10
CONECT 18 10
CONECT 19 10
CONECT 20 11
CONECT 21 11
CONECT 22 14
MASTER 0 0 0 0 0 0 0 0 22 0 22 0
END
|