Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 50D

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 58


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C4 C C1 N Y N 0 -2.402 -2.248 0.076
2 C14 C C2 N Y N 0 -0.859 1.502 -0.254
3 C5 C C3 N Y N 0 -2.909 -3.542 0.121
4 C6 C C4 N Y N 0 -4.288 -3.73 0.01
5 C11 C C5 N Y N 0 0.874 -0.583 0.045
6 C7 C C6 N N N 0 -4.856 -5.044 0.05
7 C10 C C7 N Y N 0 -0.503 -0.764 0.04
8 C12 C C8 N Y N 0 1.39 0.694 -0.107
9 C13 C C9 N Y N 0 0.508 1.752 -0.259
10 N3 N N1 N Y N 0 -3.21 -1.209 -0.069
11 C1 C C10 N Y N 0 -5.102 -2.599 -0.142
12 C2 C C11 N Y N 0 -4.517 -1.351 -0.177
13 N8 N N2 N N N 0 -5.307 -6.087 0.083
14 N9 N N3 N N N 0 -1.03 -2.043 0.192
15 N15 N N4 N Y N 0 -1.321 0.269 -0.107
16 N16 N N5 N N N 0 -1.752 2.557 -0.399
17 C17 C C12 N N N 0 -1.656 3.497 0.747
18 C18 C C13 N N N 0 -2.999 4.26 0.738
19 C19 C C14 N N N 0 -3.986 3.325 0.009
20 C20 C C15 N N N 0 -3.157 2.076 -0.361
21 F21 F F1 N N N 0 -5.04 2.973 0.859
22 F22 F F2 N N N 0 -4.478 3.943 -1.145
23 C23 C C16 N N N 0 2.879 0.928 -0.106
24 C24 C C17 N N N 0 3.471 0.45 1.223
25 C25 C C18 N N N 0 4.99 0.634 1.194
26 N26 N N6 N N N 0 5.556 -0.137 0.08
27 C27 C C19 N N N 0 5.038 0.335 -1.21
28 C28 C C20 N N N 0 3.521 0.143 -1.253
29 C29 C C21 N N N 0 7.025 -0.096 0.105
30 C30 C C22 N N N 0 7.66 -1.14 1.043
31 O31 O O1 N N N 0 8.598 -1.366 -0.029
32 C32 C C23 N N N 0 7.688 -0.887 -1.039
33 H1 H H1 N N N 0 -2.247 -4.387 0.239
34 H2 H H2 N N N 0 1.536 -1.428 0.166
35 H3 H H3 N N N 0 0.879 2.759 -0.379
36 H4 H H4 N N N 0 -6.173 -2.704 -0.232
37 H5 H H5 N N N 0 -5.139 -0.476 -0.293
38 H6 H H6 N N N 0 -0.442 -2.791 0.378
39 H7 H H7 N N N 0 -1.538 2.947 1.681
40 H8 H H8 N N N 0 -0.824 4.187 0.605
41 H9 H H9 N N N 0 -3.336 4.445 1.758
42 H10 H H10 N N N 0 -2.897 5.199 0.196
43 H11 H H11 N N N 0 -3.456 1.697 -1.338
44 H12 H H12 N N N 0 -3.273 1.303 0.4
45 H13 H H13 N N N 0 3.081 1.991 -0.234
46 H14 H H14 N N N 0 3.049 1.035 2.04
47 H15 H H15 N N N 0 3.234 -0.603 1.369
48 H19 H H19 N N N 0 5.274 1.393 -1.331
49 H16 H H16 N N N 0 5.226 1.69 1.062
50 H17 H H17 N N N 0 5.416 0.282 2.134
51 H23 H H23 N N N 0 7.421 0.911 0.231
52 H20 H H20 N N N 0 5.499 -0.234 -2.017
53 H21 H H21 N N N 0 3.285 -0.916 -1.146
54 H22 H H22 N N N 0 3.134 0.508 -2.205
55 H24 H H24 N N N 0 8.109 -0.711 1.939
56 H25 H H25 N N N 0 7.017 -1.994 1.253
57 H26 H H26 N N N 0 7.053 -1.663 -1.465
58 H27 H H27 N N N 0 8.159 -0.257 -1.795