Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : HC2

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 3.886 -1.585 -1.205
2 C2 C C2 N N N 0 5.073 -2.333 -0.595
3 C3 C C3 S N N 0 6.131 -1.33 -0.129
4 C4 C C4 N N N 0 5.55 -0.458 0.988
5 C5 C C5 N N N 0 4.272 0.186 0.478
6 C6 C C6 N N N 0 4.14 1.474 0.599
7 C7 C C7 N N N 0 2.926 2.219 0.126
8 C8 C C8 S N N 0 1.719 1.275 0.137
9 C9 C C9 S N N 0 2.043 0.038 -0.712
10 C10 C C10 R N N 0 3.233 -0.708 -0.133
11 C11 C C11 N N N 0 0.855 -0.91 -0.844
12 C12 C C12 N N N 0 -0.4 -0.184 -1.353
13 C13 C C13 S N N 0 -0.685 0.997 -0.424
14 C14 C C14 S N N 0 0.527 1.967 -0.499
15 C15 C C15 N N N 0 -0.009 3.194 0.249
16 C16 C C16 N N N 0 -1.466 3.31 -0.275
17 C17 C C17 S N N 0 -1.871 1.895 -0.758
18 C18 C C18 N N N 0 -0.788 0.507 1.022
19 C19 C C19 N N N 0 2.687 -1.624 0.964
20 C20 C C20 R N N 0 -3.122 1.42 -0.015
21 C21 C C21 N N N 0 -4.315 2.29 -0.415
22 C22 C C22 N N N 0 -3.409 -0.038 -0.381
23 C23 C C23 N N N 0 -4.726 -0.475 0.262
24 C24 C C24 N N N 0 -5.013 -1.933 -0.104
25 C25 C C25 N N N 0 -6.33 -2.371 0.539
26 C26 C C26 N N N 0 -7.484 -1.567 -0.064
27 C27 C C27 N N N 0 -6.555 -3.861 0.278
28 O1 O O1 N N N 0 7.273 -2.035 0.361
29 O2 O O2 N N N 0 -2.907 1.524 1.394
30 H11 H 1H1 N N N 0 4.234 -0.959 -2.026
31 H12 H 2H1 N N N 0 3.157 -2.304 -1.58
32 H21 H 1H2 N N N 0 5.508 -2.996 -1.342
33 H22 H 2H2 N N N 0 4.732 -2.921 0.257
34 H3 H H3 N N N 0 6.426 -0.698 -0.967
35 H41 H 1H4 N N N 0 6.268 0.317 1.26
36 H42 H 2H4 N N N 0 5.329 -1.075 1.858
37 H6 H H6 N N N 0 4.94 2.033 1.061
38 H71 H 1H7 N N N 0 3.094 2.583 -0.888
39 H72 H 2H7 N N N 0 2.734 3.062 0.79
40 H8 H H8 N N N 0 1.481 0.978 1.159
41 H9 H H9 N N N 0 2.312 0.393 -1.707
42 H111 H 1H11 N N N 0 1.111 -1.707 -1.542
43 H112 H 2H11 N N N 0 0.641 -1.349 0.131
44 H121 H 1H12 N N N 0 -0.217 0.222 -2.348
45 H122 H 2H12 N N N 0 -1.243 -0.874 -1.382
46 H14 H H14 N N N 0 0.745 2.221 -1.536
47 H151 H 1H15 N N N 0 0.566 4.083 -0.009
48 H152 H 2H15 N N N 0 0.002 3.025 1.325
49 H161 H 1H16 N N N 0 -1.511 4.016 -1.104
50 H162 H 2H16 N N N 0 -2.127 3.635 0.529
51 H17 H H17 N N N 0 -2.05 1.9 -1.833
52 H181 H 1H18 N N N 0 0.187 0.154 1.356
53 H182 H 2H18 N N N 0 -1.116 1.327 1.661
54 H213 H 3H21 N N N 0 -4.549 2.125 -1.467
55 H183 H 3H18 N N N 0 -1.509 -0.308 1.078
56 H191 H 1H19 N N N 0 3.517 -2.1 1.485
57 H192 H 2H19 N N N 0 2.103 -1.035 1.671
58 H193 H 3H19 N N N 0 2.053 -2.388 0.516
59 H211 H 1H21 N N N 0 -5.178 2.026 0.195
60 H212 H 2H21 N N N 0 -4.067 3.34 -0.259
61 H221 H 1H22 N N N 0 -2.599 -0.67 -0.017
62 H222 H 2H22 N N N 0 -3.484 -0.132 -1.465
63 H231 H 1H23 N N N 0 -5.536 0.157 -0.102
64 H232 H 2H23 N N N 0 -4.65 -0.381 1.345
65 H241 H 1H24 N N N 0 -4.203 -2.565 0.26
66 H242 H 2H24 N N N 0 -5.088 -2.028 -1.187
67 H25 H H25 N N N 0 -6.287 -2.193 1.614
68 H261 H 1H26 N N N 0 -7.528 -1.745 -1.139
69 H262 H 2H26 N N N 0 -8.423 -1.879 0.394
70 H263 H 3H26 N N N 0 -7.324 -0.505 0.122
71 H271 H 1H27 N N N 0 -6.599 -4.039 -0.797
72 H272 H 2H27 N N N 0 -5.733 -4.434 0.708
73 H273 H 3H27 N N N 0 -7.494 -4.173 0.736
74 HO1 H HO1 N N N 0 7.913 -1.367 0.643
75 HO2 H HO2 N N N 0 -2.516 0.687 1.679