blob: fb88f09b490c2ec8f891db6c0e5c8a176e4796fd (
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
|
HEADER Capsaicin: 8-methyl-N-vanillyl-6-nonenamide; Pepper; a mucous membrane irritant
AUTHOR Marvin
REVDAT 1 05-MAY-09 0
HETATM 1 C UNK 0 3.607 -1.127 0.361 0.00 0.00 C+0
HETATM 2 C UNK 0 4.334 0.075 0.158 0.00 0.00 C+0
HETATM 3 C UNK 0 3.650 1.279 -0.101 0.00 0.00 C+0
HETATM 4 C UNK 0 2.246 1.299 -0.172 0.00 0.00 C+0
HETATM 5 C UNK 0 1.494 0.118 0.015 0.00 0.00 C+0
HETATM 6 C UNK 0 2.190 -1.085 0.285 0.00 0.00 C+0
HETATM 7 O UNK 0 4.263 -2.208 0.588 0.00 0.00 O+0
HETATM 8 O UNK 0 5.598 0.109 0.186 0.00 0.00 O+0
HETATM 9 C UNK 0 3.863 -3.458 0.839 0.00 0.00 C+0
HETATM 10 C UNK 0 0.011 0.136 -0.126 0.00 0.00 C+0
HETATM 11 N UNK 0 -0.660 -0.367 0.987 0.00 0.00 N+0
HETATM 12 C UNK 0 -2.024 -0.105 1.237 0.00 0.00 C+0
HETATM 13 C UNK 0 -2.604 -0.886 2.327 0.00 0.00 C+0
HETATM 14 O UNK 0 -2.896 0.656 0.691 0.00 0.00 O+0
HETATM 15 C UNK 0 -3.159 -0.033 3.504 0.00 0.00 C+0
HETATM 16 C UNK 0 -3.849 -0.911 4.584 0.00 0.00 C+0
HETATM 17 C UNK 0 -4.419 -0.081 5.764 0.00 0.00 C+0
HETATM 18 C UNK 0 -5.132 -0.923 6.711 0.00 0.00 C+0
HETATM 19 C UNK 0 -4.516 -1.628 7.675 0.00 0.00 C+0
HETATM 20 C UNK 0 -5.206 -2.525 8.600 0.00 0.00 C+0
HETATM 21 C UNK 0 -4.662 -3.972 8.454 0.00 0.00 C+0
HETATM 22 C UNK 0 -5.081 -2.006 10.057 0.00 0.00 C+0
CONECT 1 2 6 7
CONECT 2 1 3 8
CONECT 3 2 4
CONECT 4 3 5
CONECT 5 4 6 10
CONECT 6 5 1
CONECT 7 1 9
CONECT 8 2
CONECT 9 7
CONECT 10 5 11
CONECT 11 10 12
CONECT 12 11 13 14
CONECT 13 12 15
CONECT 14 12
CONECT 15 13 16
CONECT 16 15 17
CONECT 17 16 18
CONECT 18 17 19
CONECT 19 18 20
CONECT 20 19 21 22
CONECT 21 20
CONECT 22 20
MASTER 0 0 0 0 0 0 0 0 22 0 44 0
END
|