Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : CM4

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 64


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 R N N 0 0.193 1.462 2.084
2 C2 C C2 R N N 0 1.138 0.445 1.43
3 O3 O O3 N N N 0 0.879 -0.84 1.972
4 C4 C C4 N Y N 0 1.08 -0.843 3.312
5 C5 C C5 N Y N 0 1.401 -2.068 3.9
6 C6 C C6 N Y N 0 1.61 -2.162 5.259
7 C7 C C7 N Y N 0 1.501 -1.031 6.055
8 O8 O O8 N N N 0 1.702 -1.119 7.398
9 C9 C C9 N Y N 0 1.188 0.185 5.476
10 C10 C C10 N Y N 0 0.98 0.28 4.109
11 C11 C C11 S N N 0 0.654 1.639 3.535
12 C12 C C12 N N N 0 1.901 2.524 3.574
13 C13 C C13 N Y N 0 -1.22 0.943 2.053
14 C14 C C14 N Y N 0 -2.087 1.358 1.059
15 C15 C C15 N Y N 0 -3.382 0.879 1.026
16 C16 C C16 N Y N 0 -3.816 -0.01 1.997
17 O17 O O17 N N N 0 -5.092 -0.478 1.97
18 C18 C C18 N Y N 0 -2.947 -0.421 2.997
19 C19 C C19 N Y N 0 -1.651 0.056 3.023
20 C20 C C20 N Y N 0 0.902 0.421 -0.058
21 C21 C C21 N Y N 0 -0.025 -0.45 -0.596
22 C22 C C22 N Y N 0 -0.247 -0.47 -1.959
23 C23 C C23 N Y N 0 0.468 0.379 -2.79
24 C24 C C24 N Y N 0 1.403 1.249 -2.248
25 C25 C C25 N Y N 0 1.618 1.268 -0.884
26 O26 O O26 N N N 0 0.255 0.358 -4.132
27 C27 C C27 N N N 0 -0.749 -0.627 -4.375
28 C28 C C28 N N N 0 -1.038 -0.702 -5.876
29 N29 N N29 N N N 0 0.19 -1.068 -6.593
30 C30 C C30 N N N 0 1.15 0.035 -6.382
31 C31 C C31 N N N 0 1.832 0.234 -7.758
32 C32 C C32 N N N 0 0.65 -0.013 -8.732
33 C33 C C33 N N N 0 -0.155 -1.123 -8.025
34 H1 H H1 N N N 0 0.252 2.415 1.557
35 H2 H H2 N N N 0 2.172 0.724 1.632
36 H5 H H5 N N N 0 1.487 -2.951 3.284
37 H6 H H6 N N N 0 1.857 -3.115 5.703
38 HO8 H HO8 N N N 0 2.644 -0.963 7.55
39 H9 H H9 N N N 0 1.105 1.068 6.093
40 H11 H H11 N N N 0 -0.141 2.102 4.117
41 H121 H 1H12 N N N 0 2.227 2.648 4.607
42 H122 H 2H12 N N N 0 2.697 2.056 2.995
43 H123 H 3H12 N N N 0 1.667 3.5 3.147
44 H14 H H14 N N N 0 -1.748 2.051 0.303
45 H15 H H15 N N N 0 -4.057 1.2 0.246
46 H17 H H17 N N N 0 -5.626 0.134 2.492
47 H18 H H18 N N N 0 -3.282 -1.114 3.754
48 H19 H H19 N N N 0 -0.973 -0.262 3.801
49 H21 H H21 N N N 0 -0.583 -1.111 0.05
50 H22 H H22 N N N 0 -0.976 -1.148 -2.378
51 H24 H H24 N N N 0 1.962 1.911 -2.893
52 H25 H H25 N N N 0 2.345 1.946 -0.461
53 H271 H 1H27 N N N 0 -0.399 -1.598 -4.023
54 H272 H 2H27 N N N 0 -1.661 -0.355 -3.843
55 H281 H 1H28 N N N 0 -1.805 -1.454 -6.061
56 H282 H 2H28 N N N 0 -1.388 0.268 -6.227
57 H301 H 1H30 N N N 0 0.626 0.942 -6.083
58 H302 H 2H30 N N N 0 1.889 -0.242 -5.63
59 H311 H 1H31 N N N 0 2.625 -0.497 -7.911
60 H312 H 2H31 N N N 0 2.215 1.25 -7.861
61 H321 H 1H32 N N N 0 1.014 -0.358 -9.7
62 H322 H 2H32 N N N 0 0.048 0.887 -8.845
63 H331 H 1H33 N N N 0 0.114 -2.096 -8.435
64 H332 H 2H33 N N N 0 -1.222 -0.946 -8.156