Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : CHC

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 74


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 -2.337 0.786 3.628
2 C2 C C2 N N N 0 -2.442 -0.686 4.026
3 C3 C C3 R N N 0 -1.339 -1.023 5.033
4 O3 O O3 N N N 0 -1.437 -2.4 5.403
5 C4 C C4 N N N 0 0.027 -0.76 4.398
6 C5 C C5 S N N 0 0.179 0.693 3.987
7 C6 C C6 R N N 0 1.553 0.887 3.343
8 C7 C C7 R N N 0 1.663 0.005 2.098
9 O7 O O7 N N N 0 1.502 -1.364 2.469
10 C8 C C8 S N N 0 0.572 0.395 1.099
11 C9 C C9 S N N 0 -0.803 0.181 1.75
12 C10 C C10 S N N 0 -0.97 1.051 2.996
13 C11 C C11 N N N 0 -1.963 0.455 0.747
14 C12 C C12 N N N 0 -1.793 -0.319 -0.569
15 C13 C C13 R N N 0 -0.428 0.031 -1.127
16 C14 C C14 S N N 0 0.653 -0.479 -0.137
17 C15 C C15 N N N 0 1.938 -0.355 -0.962
18 C16 C C16 N N N 0 1.498 -0.854 -2.366
19 C17 C C17 R N N 0 -0.034 -0.642 -2.444
20 C18 C C18 N N N 0 -0.298 1.549 -1.264
21 C19 C C19 N N N 0 -0.866 2.526 2.605
22 C20 C C20 R N N 0 -0.386 0.25 -3.636
23 C21 C C21 N N N 0 -1.898 0.476 -3.674
24 C22 C C22 N N N 0 0.06 -0.429 -4.931
25 C23 C C23 N N N 0 -0.29 0.463 -6.123
26 C24 C C24 N N N 0 0.149 -0.206 -7.399
27 C25 C C25 N N N 0 4.018 0.692 3.698
28 C26 C C26 N N N 0 2.644 0.498 4.342
29 OT1 O OT1 N N N 0 -0.057 0.397 -8.58
30 OT2 O OT2 N N N 0 0.689 -1.286 -7.36
31 HC11 H 1HC1 N N N 0 -2.455 1.411 4.513
32 HC12 H 2HC1 N N N 0 -3.122 1.024 2.909
33 HC21 H 1HC2 N N N 0 -3.416 -0.872 4.479
34 HC22 H 2HC2 N N N 0 -2.328 -1.311 3.14
35 HC3 H HC3 N N N 0 -1.454 -0.399 5.92
36 HO3 H HO3 N N N 0 -2.311 -2.522 5.797
37 HC41 H 1HC4 N N N 0 0.812 -1.001 5.114
38 HC42 H 2HC4 N N N 0 0.141 -1.383 3.51
39 HC5 H HC5 N N N 0 0.075 1.331 4.865
40 HC6 H HC6 N N N 0 1.676 1.933 3.059
41 HC7 H HC7 N N N 0 2.642 0.145 1.639
42 HO7 H HO7 N N N 0 2.207 -1.569 3.098
43 HC8 H HC8 N N N 0 0.688 1.442 0.818
44 HC9 H HC9 N N N 0 -0.831 -0.867 2.045
45 H111 H 1H11 N N N 0 -1.948 1.524 0.537
46 H112 H 2H11 N N N 0 -2.923 0.194 1.193
47 H121 H 1H12 N N N 0 -2.569 -0.024 -1.275
48 H122 H 2H12 N N N 0 -1.852 -1.391 -0.379
49 H14C H CH14 N N N 0 0.468 -1.521 0.123
50 H151 H 1H15 N N N 0 2.268 0.682 -1.008
51 H152 H 2H15 N N N 0 2.722 -0.992 -0.554
52 H161 H 1H16 N N N 0 1.996 -0.274 -3.142
53 H162 H 2H16 N N N 0 1.736 -1.912 -2.478
54 H17C H CH17 N N N 0 -0.544 -1.602 -2.528
55 H181 H 1H18 N N N 0 -0.974 1.904 -2.042
56 H182 H 2H18 N N N 0 -0.554 2.022 -0.316
57 H183 H 3H18 N N N 0 0.727 1.803 -1.53
58 H191 H 1H19 N N N 0 -0.985 3.147 3.493
59 H192 H 2H19 N N N 0 0.109 2.716 2.158
60 H193 H 3H19 N N N 0 -1.648 2.767 1.886
61 H20C H CH20 N N N 0 0.122 1.208 -3.534
62 H211 H 1H21 N N N 0 -2.407 -0.481 -3.776
63 H212 H 2H21 N N N 0 -2.217 0.961 -2.751
64 H213 H 3H21 N N N 0 -2.149 1.112 -4.523
65 H221 H 1H22 N N N 0 1.138 -0.59 -4.904
66 H222 H 2H22 N N N 0 -0.447 -1.388 -5.033
67 H231 H 1H23 N N N 0 -1.368 0.624 -6.151
68 H232 H 2H23 N N N 0 0.217 1.422 -6.022
69 H251 H 1H25 N N N 0 4.795 0.415 4.41
70 H252 H 2H25 N N N 0 4.096 0.064 2.811
71 H253 H 3H25 N N N 0 4.142 1.738 3.414
72 H261 H 1H26 N N N 0 2.52 -0.547 4.625
73 H262 H 2H26 N N N 0 2.566 1.127 5.229
74 HT1O H OHT1 N N N 0 0.224 -0.031 -9.399