Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 76T

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 59


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C4 C C1 N N N 0 2.52 -2.595 0.032
2 C6 C C2 N Y N 0 4.982 0.191 -0.54
3 C7 C C3 N Y N 0 5.908 -1.843 -1.438
4 C8 C C4 N Y N 0 -8.087 -0.033 -0.738
5 C10 C C5 N Y N 0 6.015 -0.488 -1.189
6 C13 C C6 N Y N 0 5.1 1.648 -0.281
7 C15 C C7 N Y N 0 -6.983 -0.517 -0.028
8 C20 C C8 N Y N 0 4.071 2.328 0.367
9 C21 C C9 N Y N 0 -5.828 0.238 0.031
10 C26 C C10 N N N 0 -3.493 0.559 0.802
11 C28 C C11 N Y N 0 -0.634 -1.718 1.751
12 C1 C C12 N Y N 0 3.73 -1.863 -0.389
13 C2 C C13 N Y N 0 4.769 -2.539 -1.041
14 C3 C C14 N Y N 0 3.842 -0.494 -0.14
15 N5 N N1 N Y N 0 -10.058 0.332 -1.724
16 N9 N N2 N Y N 0 -9.226 1.426 -1.984
17 N11 N N3 N N N 0 1.521 -1.943 0.659
18 O16 O O1 N N N 0 2.422 -3.787 -0.191
19 C12 C C15 N Y N 0 -8.009 1.215 -1.384
20 C14 C C16 N Y N 0 -9.429 -0.546 -0.996
21 N17 N N4 N N N 0 -4.719 -0.239 0.739
22 C18 C C17 N Y N 0 -6.831 1.955 -1.313
23 C19 C C18 N Y N 0 6.243 2.338 -0.681
24 O22 O O2 N N N 0 4.665 -3.869 -1.287
25 C23 C C19 N N N 0 0.321 -2.67 1.078
26 O24 O O3 N N N 0 6.918 -2.498 -2.071
27 C25 C C20 N Y N 0 5.326 4.363 0.211
28 C27 C C21 N Y N 0 -1.583 -1.047 1.002
29 C29 C C22 N Y N 0 -5.762 1.474 -0.613
30 C30 C C23 N Y N 0 -2.459 -0.173 1.619
31 C31 C C24 N Y N 0 4.188 3.681 0.61
32 C32 C C25 N Y N 0 6.349 3.692 -0.438
33 F33 F F1 N N N 0 5.433 5.689 0.446
34 C34 C C26 N Y N 0 -1.438 -0.642 3.733
35 C35 C C27 N Y N 0 -2.386 0.03 2.984
36 C36 C C28 N Y N 0 -0.566 -1.52 3.117
37 H1 H H1 N N N 0 6.9 0.048 -1.499
38 H2 H H2 N N N 0 -7.033 -1.474 0.471
39 H3 H H3 N N N 0 3.184 1.797 0.678
40 H4 H H4 N N N 0 -3.112 0.721 -0.206
41 H5 H H5 N N N 0 -3.709 1.521 1.268
42 H6 H H6 N N N 0 3.043 0.032 0.362
43 H8 H H8 N N N 0 1.598 -0.992 0.834
44 H9 H H9 N N N 0 -9.829 -1.486 -0.646
45 H10 H H10 N N N 0 -4.763 -1.098 1.187
46 H11 H H11 N N N 0 -6.765 2.913 -1.806
47 H12 H H12 N N N 0 7.045 1.813 -1.179
48 H13 H H13 N N N 0 5.012 -4.428 -0.578
49 H14 H H14 N N N 0 0.599 -3.459 1.776
50 H15 H H15 N N N 0 -0.16 -3.111 0.205
51 H16 H H16 N N N 0 6.832 -2.515 -3.034
52 H17 H H17 N N N 0 -1.64 -1.205 -0.065
53 H18 H H18 N N N 0 -4.853 2.055 -0.561
54 H19 H H19 N N N 0 3.392 4.208 1.116
55 H20 H H20 N N N 0 7.234 4.227 -0.748
56 H21 H H21 N N N 0 -1.381 -0.484 4.8
57 H22 H H22 N N N 0 -3.067 0.716 3.466
58 H23 H H23 N N N 0 0.175 -2.045 3.702
59 H7 H H7 N N N 0 -9.469 2.207 -2.505