Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 44I

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 74


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C01 C C1 N N N 0 -5.457 3.636 -0.672
2 N05 N N1 N N N 0 -5.847 2.553 0.241
3 C07 C C2 N N N 0 -5.204 1.288 -0.139
4 C10 C C3 N N N 0 -5.633 0.186 0.832
5 N13 N N2 N N N 0 -4.99 -1.079 0.452
6 C14 C C4 N N N 0 -5.479 -1.547 -0.851
7 C17 C C5 S N N 0 -4.686 -2.783 -1.282
8 C19 C C6 N N N 0 -4.851 -3.882 -0.229
9 C22 C C7 R N N 0 -4.383 -3.353 1.13
10 C24 C C8 N N N 0 -5.185 -2.101 1.489
11 C27 C C9 N N N 0 -2.895 -2.996 1.045
12 N30 N N3 N N N 0 -2.699 -2.055 -0.066
13 C31 C C10 N N N 0 -3.202 -2.418 -1.398
14 C34 C C11 N N N 0 -2.068 -0.88 0.132
15 O35 O O1 N N N 0 -1.73 -0.555 1.251
16 C36 C C12 S N N 0 -1.783 0.029 -1.035
17 C38 C C13 N N N 0 -0.818 -0.665 -1.999
18 N42 N N4 N N N 0 -1.179 1.272 -0.55
19 C43 C C14 N N N 0 -1.761 2.605 -0.741
20 C46 C C15 N N N 0 -1.044 3.518 0.278
21 C49 C C16 S N N 0 0.297 2.775 0.479
22 N51 N N5 N N N 0 1.32 3.312 -0.421
23 S53 S S1 N N N 0 2.897 3.399 0.077
24 O54 O O2 N N N 0 3.635 3.924 -1.018
25 O55 O O3 N N N 0 2.879 4.003 1.363
26 C56 C C17 N Y N 0 3.462 1.747 0.311
27 C57 C C18 N Y N 0 3.31 1.139 1.556
28 C59 C C19 N Y N 0 3.735 -0.136 1.771
29 C61 C C20 N Y N 0 4.337 -0.854 0.723
30 C62 C C21 N Y N 0 4.787 -2.171 0.906
31 C64 C C22 N Y N 0 5.366 -2.836 -0.133
32 CL CL CL1 N N N 0 5.921 -4.465 0.097
33 C66 C C23 N Y N 0 5.517 -2.228 -1.378
34 C68 C C24 N Y N 0 5.093 -0.953 -1.592
35 C70 C C25 N Y N 0 4.492 -0.236 -0.543
36 C71 C C26 N Y N 0 4.036 1.081 -0.728
37 C73 C C27 N N N 0 -0.022 1.337 0.132
38 O74 O O4 N N N 0 0.666 0.383 0.425
39 H1 H H1 N N N 0 -4.376 3.769 -0.637
40 H2 H H2 N N N 0 -5.76 3.382 -1.688
41 H3 H H3 N N N 0 -5.947 4.561 -0.368
42 H4 H H4 N N N 0 -6.85 2.453 0.276
43 H6 H H6 N N N 0 -5.505 1.017 -1.151
44 H7 H H7 N N N 0 -4.121 1.405 -0.101
45 H8 H H8 N N N 0 -5.332 0.457 1.844
46 H9 H H9 N N N 0 -6.716 0.069 0.794
47 H11 H H11 N N N 0 -6.535 -1.803 -0.773
48 H12 H H12 N N N 0 -5.351 -0.757 -1.592
49 H13 H H13 N N N 0 -5.057 -3.138 -2.243
50 H14 H H14 N N N 0 -5.9 -4.172 -0.165
51 H15 H H15 N N N 0 -4.25 -4.748 -0.509
52 H16 H H16 N N N 0 -4.538 -4.117 1.893
53 H17 H H17 N N N 0 -4.844 -1.713 2.449
54 H18 H H18 N N N 0 -6.243 -2.353 1.555
55 H19 H H19 N N N 0 -2.577 -2.531 1.978
56 H20 H H20 N N N 0 -2.312 -3.899 0.869
57 H21 H H21 N N N 0 -2.644 -3.273 -1.779
58 H22 H H22 N N N 0 -3.086 -1.572 -2.076
59 H23 H H23 N N N 0 -2.714 0.256 -1.555
60 H24 H H24 N N N 0 -1.309 -1.53 -2.445
61 H25 H H25 N N N 0 -0.524 0.031 -2.784
62 H26 H H26 N N N 0 0.067 -0.992 -1.453
63 H27 H H27 N N N 0 -1.576 2.956 -1.757
64 H28 H H28 N N N 0 -2.832 2.582 -0.539
65 H29 H H29 N N N 0 -0.881 4.513 -0.136
66 H30 H H30 N N N 0 -1.603 3.573 1.213
67 H31 H H31 N N N 0 0.624 2.851 1.516
68 H32 H H32 N N N 0 1.074 3.617 -1.308
69 H33 H H33 N N N 0 2.849 1.689 2.364
70 H34 H H34 N N N 0 3.611 -0.593 2.741
71 H35 H H35 N N N 0 4.676 -2.655 1.865
72 H36 H H36 N N N 0 5.979 -2.777 -2.186
73 H37 H H37 N N N 0 5.218 -0.494 -2.561
74 H38 H H38 N N N 0 4.143 1.563 -1.688