Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 73B

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 54


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C01 N N N 0 6.16 0.837 0.079
2 C2 C C02 S N N 0 4.683 0.694 0.451
3 C3 C C03 N N N 0 3.83 1.598 -0.449
4 C4 C C04 R N N 0 2.369 1.492 -0.014
5 N1 N N01 N N N 0 1.523 2.191 -0.983
6 C5 C C05 N Y N 0 0.279 2.694 -0.591
7 C6 C C06 N Y N 0 -0.153 2.535 0.719
8 C7 C C07 N Y N 0 -1.381 3.037 1.106
9 C8 C C08 N Y N 0 -2.179 3.698 0.188
10 CL1 CL CL N N N 0 -3.721 4.328 0.678
11 C9 C C09 N Y N 0 -1.751 3.857 -1.118
12 C10 C C10 N Y N 0 -0.525 3.357 -1.51
13 C11 C C11 N Y N 0 1.946 0.049 0.067
14 C12 C C12 N Y N 0 0.599 -0.254 0.015
15 C13 C C13 N Y N 0 0.175 -1.58 0.09
16 C14 C C14 N Y N 0 1.114 -2.603 0.218
17 C15 C C15 N Y N 0 2.457 -2.298 0.269
18 C16 C C16 N Y N 0 2.877 -0.973 0.191
19 N2 N N1 N N N 0 4.248 -0.692 0.236
20 C17 C C17 N N N 0 5.154 -1.678 0.083
21 C18 C C18 N N N 0 4.75 -2.98 -0.559
22 O1 O O01 N N N 0 6.295 -1.518 0.464
23 C19 C C19 N Y N 0 -1.27 -1.901 0.034
24 C20 C C20 N Y N 0 -1.692 -3.23 0.109
25 C21 C C21 N Y N 0 -3.034 -3.529 0.057
26 C22 C C22 N Y N 0 -3.975 -2.503 -0.07
27 C23 C C23 N Y N 0 -3.551 -1.173 -0.145
28 C24 C C24 N Y N 0 -2.208 -0.875 -0.088
29 C25 C C1 N N N 0 -5.414 -2.823 -0.126
30 O2 O O02 N N N 0 -5.782 -3.979 -0.062
31 O3 O O1 N N N 0 -6.32 -1.833 -0.249
32 H1 H H1 N N N 0 6.332 0.399 -0.904
33 H2 H H2 N N N 0 6.429 1.894 0.058
34 H3 H H3 N N N 0 6.773 0.322 0.819
35 H4 H H4 N N N 0 4.537 0.969 1.495
36 H5 H H5 N N N 0 4.166 2.631 -0.353
37 H6 H H6 N N N 0 3.928 1.277 -1.487
38 H7 H H7 N N N 0 2.251 1.957 0.965
39 H8 H H8 N N N 0 1.826 2.306 -1.898
40 H9 H H9 N N N 0 0.469 2.02 1.435
41 H10 H H10 N N N 0 -1.717 2.914 2.124
42 H11 H H11 N N N 0 -2.376 4.372 -1.832
43 H12 H H12 N N N 0 -0.189 3.486 -2.528
44 H13 H H13 N N N 0 -0.128 0.538 -0.083
45 H14 H H14 N N N 0 0.79 -3.632 0.278
46 H15 H H15 N N N 0 3.185 -3.089 0.369
47 H16 H H16 N N N 0 3.734 -2.895 -0.945
48 H17 H H17 N N N 0 5.432 -3.207 -1.379
49 H18 H H18 N N N 0 4.793 -3.779 0.181
50 H19 H H19 N N N 0 -0.966 -4.022 0.207
51 H20 H H20 N N N 0 -3.361 -4.557 0.115
52 H21 H H21 N N N 0 -4.276 -0.379 -0.244
53 H22 H H22 N N N 0 -1.88 0.152 -0.146
54 H23 H H23 N N N 0 -7.251 -2.092 -0.282