Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 213

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 76


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 -4.638 3.692 1.901
2 C2 C C2 N Y N 0 -3.815 3.291 2.937
3 C3 C C3 N Y N 0 -2.592 2.709 2.662
4 C4 C C4 N Y N 0 -2.191 2.527 1.352
5 C5 C C5 N Y N 0 -3.012 2.933 0.316
6 C6 C C6 N Y N 0 -4.237 3.511 0.59
7 C10 C C10 N Y N 0 -1.871 -1.029 -0.272
8 C11 C C11 N Y N 0 -2.05 -0.274 0.872
9 C12 C C12 N Y N 0 -3.306 -0.17 1.441
10 C13 C C13 N Y N 0 -4.383 -0.812 0.861
11 C14 C C14 N Y N 0 -4.204 -1.566 -0.284
12 C15 C C15 N Y N 0 -2.947 -1.675 -0.85
13 C20 C C20 N Y N 0 2.321 2.68 0.408
14 C21 C C21 N Y N 0 1.588 2.081 1.417
15 C22 C C22 N Y N 0 2.084 0.968 2.072
16 C23 C C23 N Y N 0 3.311 0.446 1.718
17 C24 C C24 N Y N 0 4.056 1.048 0.706
18 C25 C C25 N Y N 0 3.552 2.169 0.049
19 C30 C C30 R N N 0 -0.858 1.893 1.053
20 N31 N N31 N Y N 0 -0.598 1.958 -0.388
21 C32 C C32 N N N 0 0.244 2.643 1.803
22 C35 C C35 N N N 0 -0.876 0.43 1.502
23 C40 C C40 N Y N 0 -0.042 4.936 -3.174
24 C41 C C41 N Y N 0 -0.014 3.605 -3.473
25 C42 C C42 N Y N 0 -0.214 2.657 -2.462
26 C43 C C43 N Y N 0 -0.446 3.094 -1.146
27 C44 C C44 N Y N 0 -0.464 4.455 -0.861
28 C45 C C45 N Y N 0 -0.265 5.367 -1.873
29 N46 N N46 N Y N 0 -0.242 1.309 -2.456
30 N47 N N47 N Y N 0 -0.463 0.872 -1.266
31 C52 C C52 N N N 0 -5.378 -2.27 -0.915
32 F53 F F53 N N N 0 -6.527 -1.487 -0.761
33 F54 F F54 N N N 0 -5.126 -2.467 -2.276
34 P55 P P55 N N N 0 -5.628 -3.883 -0.102
35 O56 O O56 N N N 0 -4.262 -4.733 -0.165
36 O57 O O57 N N N 0 -6.703 -4.624 -0.798
37 O58 O O58 N N N 0 -6.045 -3.65 1.435
38 C61 C C61 N Y N 0 5.379 0.494 0.325
39 C62 C C62 N Y N 0 5.594 -0.883 0.349
40 C63 C C63 N Y N 0 6.828 -1.392 -0.001
41 C64 C C64 N Y N 0 7.847 -0.539 -0.385
42 C65 C C65 N Y N 0 7.638 0.828 -0.416
43 C66 C C66 N Y N 0 6.409 1.348 -0.063
44 P71 P P71 N N N 0 7.112 -3.183 0.037
45 O72 O O72 N N N 0 7.017 -3.668 1.432
46 O73 O O73 N N N 0 8.578 -3.506 -0.545
47 O74 O O74 N N N 0 6.002 -3.921 -0.865
48 H1 H H1 N N N 0 -5.594 4.146 2.115
49 H2 H H2 N N N 0 -4.128 3.433 3.961
50 H3 H H3 N N N 0 -1.949 2.396 3.472
51 H5 H H5 N N N 0 -2.699 2.792 -0.708
52 H6 H H6 N N N 0 -4.88 3.824 -0.219
53 H10 H H10 N N N 0 -0.889 -1.114 -0.714
54 H12 H H12 N N N 0 -3.446 0.42 2.335
55 H13 H H13 N N N 0 -5.365 -0.727 1.303
56 H15 H H15 N N N 0 -2.807 -2.264 -1.744
57 H20 H H20 N N N 0 1.929 3.548 -0.1
58 H22 H H22 N N N 0 1.507 0.505 2.859
59 H23 H H23 N N N 0 3.697 -0.423 2.23
60 H25 H H25 N N N 0 4.123 2.637 -0.738
61 H321 H 1H32 N N N 0 0.097 2.526 2.877
62 H322 H 2H32 N N N 0 0.205 3.701 1.544
63 H351 H 1H35 N N N 0 0.048 -0.057 1.193
64 H352 H 2H35 N N N 0 -0.965 0.385 2.588
65 H40 H H40 N N N 0 0.113 5.662 -3.958
66 H41 H H41 N N N 0 0.161 3.283 -4.489
67 H44 H H44 N N N 0 -0.638 4.795 0.149
68 H45 H H45 N N N 0 -0.283 6.424 -1.654
69 H58 H H58 N N N 0 -6.167 -4.526 1.827
70 H56 H H56 N N N 0 -3.589 -4.215 0.298
71 H62 H H62 N N N 0 4.799 -1.549 0.649
72 H64 H H64 N N N 0 8.81 -0.942 -0.662
73 H65 H H65 N N N 0 8.437 1.489 -0.717
74 H74 H H74 N N N 0 6.098 -3.578 -1.764
75 H66 H H66 N N N 0 6.246 2.416 -0.087
76 H73 H H73 N N N 0 8.688 -4.466 -0.507