Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : CHO

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 75


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 5.382 -2.036 0.195
2 C2 C C2 N N N 0 5.839 -1.558 -1.184
3 C3 C C3 R N N 0 6.771 -0.355 -1.024
4 O3 O O3 N N N 0 7.194 0.094 -2.313
5 C4 C C4 N N N 0 6.027 0.775 -0.31
6 C5 C C5 S N N 0 5.57 0.295 1.069
7 C6 C C6 N N N 0 4.825 1.427 1.78
8 C7 C C7 R N N 0 3.608 1.839 0.948
9 O7 O O7 N N N 0 4.04 2.286 -0.338
10 C8 C C8 R N N 0 2.673 0.64 0.785
11 C9 C C9 S N N 0 3.425 -0.492 0.066
12 C10 C C10 S N N 0 4.635 -0.905 0.905
13 C11 C C11 N N N 0 2.523 -1.696 -0.179
14 C12 C C12 N N N 0 1.249 -1.296 -0.943
15 C13 C C13 R N N 0 0.55 -0.228 -0.126
16 C14 C C14 S N N 0 1.485 1.011 -0.083
17 C15 C C15 N N N 0 0.552 2.085 0.486
18 C16 C C16 N N N 0 -0.782 1.817 -0.263
19 C17 C C17 R N N 0 -0.746 0.332 -0.703
20 C18 C C18 N N N 0 0.305 -0.741 1.294
21 C19 C C19 N N N 0 4.17 -1.384 2.282
22 C20 C C20 R N N 0 -1.949 -0.42 -0.132
23 C21 C C21 N N N 0 -1.918 -1.872 -0.613
24 C22 C C22 N N N 0 -3.241 0.248 -0.608
25 C23 C C23 N N N 0 -4.44 -0.426 0.062
26 C24 C C24 N N N 0 -5.713 0.231 -0.406
27 O24 O O24 N N N 0 -5.665 1.149 -1.198
28 N25 N N25 N N N 0 -6.903 -0.2 0.055
29 C26 C C26 N N N 0 -8.14 0.439 -0.401
30 C27 C C27 N N N 0 -9.321 -0.225 0.259
31 OT1 O OT1 N N N 0 -9.148 -1.138 1.031
32 OT2 O OT2 N N N 0 -10.566 0.199 -0.011
33 H11 H H11 N N N 0 4.72 -2.895 0.081
34 H12 H H12 N N N 0 6.252 -2.325 0.786
35 H21 H H21 N N N 0 6.37 -2.364 -1.691
36 H22 H H22 N N N 0 4.969 -1.268 -1.774
37 H3 H H3 N N N 0 7.641 -0.645 -0.436
38 HO3 H HO3 N N N 0 7.674 -0.573 -2.823
39 H41 H H41 N N N 0 6.692 1.632 -0.195
40 H42 H H42 N N N 0 5.157 1.067 -0.899
41 H5 H H5 N N N 0 6.439 0.004 1.66
42 H61 H H61 N N N 0 4.495 1.084 2.761
43 H62 H H62 N N N 0 5.49 2.282 1.899
44 H7 H H7 N N N 0 3.079 2.646 1.455
45 HO7 H HO7 N N N 0 4.637 3.045 -0.311
46 H8 H H8 N N N 0 2.34 0.296 1.764
47 H9 H H9 N N N 0 3.774 -0.125 -0.899
48 H111 H H111 N N N 0 3.069 -2.439 -0.76
49 H112 H H112 N N N 0 2.241 -2.132 0.78
50 H121 H H121 N N N 0 1.514 -0.9 -1.923
51 H122 H H122 N N N 0 0.597 -2.162 -1.057
52 H14 H H14 N N N 0 1.817 1.274 -1.087
53 H151 H H151 N N N 0 0.423 1.955 1.561
54 H152 H H152 N N N 0 0.928 3.083 0.26
55 H161 H H161 N N N 0 -1.627 1.989 0.404
56 H162 H H162 N N N 0 -0.857 2.465 -1.137
57 H17 H H17 N N N 0 -0.737 0.261 -1.791
58 H181 H H181 N N N 0 1.255 -1.022 1.748
59 H182 H H182 N N N 0 -0.164 0.044 1.888
60 H183 H H183 N N N 0 -0.352 -1.61 1.258
61 H191 H H191 N N N 0 5.035 -1.676 2.876
62 H192 H H192 N N N 0 3.637 -0.577 2.786
63 H193 H H193 N N N 0 3.505 -2.24 2.164
64 H20 H H20 N N N 0 -1.908 -0.397 0.957
65 H211 H H211 N N N 0 -1.89 -1.893 -1.702
66 H212 H H212 N N N 0 -1.032 -2.368 -0.216
67 H213 H H213 N N N 0 -2.811 -2.39 -0.263
68 H221 H H221 N N N 0 -3.223 1.304 -0.342
69 H222 H H222 N N N 0 -3.325 0.146 -1.69
70 H231 H H231 N N N 0 -4.458 -1.483 -0.203
71 H232 H H232 N N N 0 -4.356 -0.325 1.144
72 HN H HN N N N 0 -6.941 -0.934 0.688
73 HOT H HOT N N N 0 -11.292 -0.258 0.437
74 H261 H H261 N N N 0 -8.122 1.496 -0.135
75 H262 H H262 N N N 0 -8.224 0.338 -1.483