Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : IHM

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 67


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C01 C C01 N Y N 0 -3.474 1.724 -0.436
2 C02 C C02 N Y N 0 -2.882 2.071 0.768
3 C03 C C03 N Y N 0 -1.757 1.397 1.205
4 C04 C C04 N Y N 0 -1.22 0.376 0.444
5 C05 C C05 N Y N 0 -1.805 0.024 -0.758
6 C06 C C06 N Y N 0 -2.936 0.692 -1.199
7 O07 O O07 N N N 0 -4.58 2.386 -0.868
8 C08 C C08 N N N 0 -5.08 3.43 -0.03
9 F09 F F09 N N N 0 -5.422 2.901 1.22
10 F10 F F10 N N N 0 -4.095 4.41 0.132
11 O11 O O11 N N N 0 -3.513 0.347 -2.382
12 C12 C C12 N N N 0 -2.9 -0.713 -3.118
13 C13 C C13 N N N 0 -3.683 -0.957 -4.409
14 C14 C C14 N N N 0 -3.117 -1.979 -5.397
15 C15 C C15 N N N 0 -4.364 -2.317 -4.577
16 C16 C C16 S N N 0 0.01 -0.351 0.922
17 O17 O O17 N N N -1 -4.34 -4.723 2.362
18 C18 C C18 N Y N 0 1.123 1.883 1.179
19 C19 C C19 N Y N 0 2.378 2.367 1.055
20 C20 C C20 N Y N 0 3.218 1.299 0.685
21 N21 N N21 N Y N 0 2.478 0.214 0.593
22 N22 N N22 N Y N 0 1.156 0.562 0.9
23 C23 C C23 N Y N 0 4.68 1.382 0.441
24 C24 C C24 N Y N 0 5.393 0.242 0.08
25 C25 C C25 N Y N 0 6.758 0.327 -0.147
26 C26 C C26 N Y N 0 7.41 1.546 -0.013
27 C27 C C27 N Y N 0 6.702 2.677 0.347
28 C28 C C28 N Y N 0 5.341 2.602 0.569
29 N29 N N29 N N N 0 7.479 -0.816 -0.51
30 C30 C C30 N N N 0 6.91 -1.75 -1.299
31 O31 O O31 N N N 0 5.747 -1.642 -1.623
32 C32 C C32 N N N 0 -0.216 -0.852 2.35
33 C33 C C33 N N N 0 7.72 -2.927 -1.778
34 C34 C C34 N Y N 0 -1.314 -1.883 2.353
35 C35 C C35 N Y N 0 -1.025 -3.228 2.181
36 C36 C C36 N Y N 0 -2.058 -4.146 2.19
37 N37 N N37 N Y N 1 -3.307 -3.754 2.359
38 C38 C C38 N Y N 0 -3.619 -2.482 2.525
39 C39 C C39 N Y N 0 -2.638 -1.51 2.534
40 H1 H H1 N N N 0 -3.3 2.869 1.364
41 H2 H H2 N N N 0 -1.297 1.669 2.144
42 H3 H H3 N N N 0 -1.383 -0.774 -1.351
43 H4 H H4 N N N 0 -5.963 3.874 -0.49
44 H5 H H5 N N N 0 -1.873 -0.44 -3.362
45 H9 H H9 N N N 0 -2.186 -2.477 -5.127
46 H6 H H6 N N N 0 -2.901 -1.622 -2.516
47 H7 H H7 N N N 0 -4.191 -0.085 -4.823
48 H8 H H8 N N N 0 -3.252 -1.78 -6.46
49 H10 H H10 N N N 0 -4.253 -3.038 -3.768
50 H11 H H11 N N N 0 -5.319 -2.341 -5.101
51 H12 H H12 N N N 0 0.209 -1.199 0.267
52 H14 H H14 N N N 0 0.247 2.451 1.456
53 H15 H H15 N N N 0 2.682 3.391 1.211
54 H16 H H16 N N N 0 4.884 -0.705 -0.024
55 H17 H H17 N N N 0 8.474 1.61 -0.189
56 H18 H H18 N N N 0 7.212 3.623 0.447
57 H19 H H19 N N N 0 4.791 3.488 0.849
58 H20 H H20 N N N 0 8.389 -0.937 -0.195
59 H21 H H21 N N N 0 0.704 -1.299 2.728
60 H22 H H22 N N N 0 -0.501 -0.015 2.988
61 H23 H H23 N N N 0 7.635 -3.743 -1.061
62 H24 H H24 N N N 0 7.346 -3.254 -2.748
63 H25 H H25 N N N 0 8.766 -2.634 -1.872
64 H26 H H26 N N N 0 -0.005 -3.555 2.042
65 H29 H H29 N N N 0 -2.899 -0.471 2.67
66 H27 H H27 N N N 0 -1.841 -5.195 2.056
67 H28 H H28 N N N 0 -4.652 -2.199 2.66