Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 052

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 70


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C11 C C1 N Y N 0 -0.722 1.763 -0.042
2 C13 C C2 N Y N 0 -2.608 -4.305 0.509
3 C14 C C3 N Y N 0 -1.716 -4.285 1.565
4 C16 C C4 N Y N 0 -0.088 -3.215 0.168
5 C17 C C5 N Y N 0 -0.984 -3.24 -0.892
6 C18 C C6 N Y N 0 -2.241 -3.785 -0.719
7 C19 C C7 N Y N 0 -4.276 2.101 1.081
8 C21 C C8 N Y N 0 -2.184 1.572 0.047
9 C22 C C9 N Y N 0 -2.827 0.683 -0.821
10 C23 C C10 N Y N 0 -4.178 0.509 -0.743
11 C24 C C11 N N N 0 -5.075 2.863 2.107
12 C25 C C12 N Y N 0 -4.92 1.217 0.21
13 C26 C C13 N N N 0 -6.38 1.029 0.295
14 C28 C C14 N N N 0 -9.055 -1.179 -1.167
15 C29 C C15 N N N 0 -9.269 0.182 -1.833
16 C1 C C16 N N N 0 8.678 1.369 -0.794
17 C2 C C17 N N N 0 9.918 0.476 -0.885
18 O1 O O1 N N N 0 10.084 -0.227 0.349
19 C3 C C18 N N N 0 8.964 -1.043 0.702
20 C4 C C19 N N N 0 7.714 -0.166 0.809
21 N1 N N1 N N N 0 7.508 0.542 -0.462
22 C5 C C20 N N N 0 6.284 1.354 -0.421
23 C6 C C21 N N N 0 5.066 0.434 -0.323
24 N2 N N2 N N N 0 3.845 1.243 -0.281
25 N3 N N3 N Y N 0 0.169 -0.579 -0.015
26 C7 C C22 N Y N 0 2.614 0.63 -0.192
27 C8 C C23 N Y N 0 2.521 -0.733 -0.142
28 C9 C C24 N Y N 0 1.257 -1.33 -0.051
29 C10 C C25 N Y N 0 -0.045 2.99 -0.115
30 C12 C C26 N Y N 0 0.251 0.753 -0.064
31 N4 N N4 N Y N 0 1.466 1.378 -0.152
32 N5 N N5 N Y N 0 1.241 2.759 -0.182
33 O2 O O2 N N N 0 1.149 -2.679 0.0
34 C15 C C27 N Y N 0 -0.457 -3.741 1.397
35 C20 C C28 N Y N 0 -2.925 2.279 0.998
36 O3 O O3 N N N 0 -7.01 1.559 1.19
37 N6 N N6 N N N 0 -7.016 0.27 -0.619
38 C27 C C29 N N N 0 -8.467 0.083 -0.534
39 H1 H H1 N N N 0 -3.592 -4.73 0.642
40 H2 H H2 N N N 0 -2.003 -4.694 2.522
41 H3 H H3 N N N 0 -0.7 -2.831 -1.85
42 H4 H H4 N N N 0 -2.939 -3.806 -1.543
43 H5 H H5 N N N 0 -2.254 0.137 -1.556
44 H6 H H6 N N N 0 -4.674 -0.177 -1.413
45 H7 H H7 N N N 0 -5.225 2.239 2.988
46 H8 H H8 N N N 0 -4.535 3.767 2.39
47 H9 H H9 N N N 0 -6.042 3.135 1.686
48 H10 H H10 N N N 0 -9.912 -1.638 -0.673
49 H11 H H11 N N N 0 -8.363 -1.871 -1.647
50 H12 H H12 N N N 0 -8.717 0.385 -2.751
51 H13 H H13 N N N 0 -10.266 0.618 -1.777
52 H14 H H14 N N N 0 8.825 2.119 -0.016
53 H15 H H15 N N N 0 8.514 1.865 -1.751
54 H16 H H16 N N N 0 9.792 -0.239 -1.698
55 H17 H H17 N N N 0 10.797 1.092 -1.075
56 H18 H H18 N N N 0 8.811 -1.803 -0.065
57 H19 H H19 N N N 0 9.153 -1.526 1.661
58 H20 H H20 N N N 0 6.847 -0.791 1.022
59 H21 H H21 N N N 0 7.846 0.559 1.612
60 H23 H H23 N N N 0 6.314 2.012 0.447
61 H24 H H24 N N N 0 6.215 1.953 -1.329
62 H25 H H25 N N N 0 5.036 -0.224 -1.191
63 H26 H H26 N N N 0 5.135 -0.165 0.585
64 H27 H H27 N N N 0 3.903 2.211 -0.316
65 H28 H H28 N N N 0 3.412 -1.342 -0.172
66 H29 H H29 N N N 0 -0.509 3.965 -0.116
67 H30 H H30 N N N 0 0.238 -3.722 2.224
68 H31 H H31 N N N 0 -2.428 2.965 1.668
69 H32 H H32 N N N 0 -6.514 -0.153 -1.332
70 H33 H H33 N N N 0 -8.936 0.455 0.377