Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 904

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 S1 S S1 N N N 0 -6.475 -0.418 0.795
2 C2 C C2 N Y N 0 0.419 1.486 -0.033
3 C3 C C3 N N N 0 -0.361 0.326 -0.482
4 C4 C C4 N Y N 0 -1.808 0.466 -0.742
5 C5 C C5 N Y N 0 1.88 1.549 0.156
6 N6 N N6 N N N 0 -5.009 0.294 1.088
7 C8 C C8 N Y N 0 -0.062 2.723 0.288
8 C10 C C10 N Y N 0 -4.085 0.446 0.047
9 C11 C C11 N Y N 0 -2.726 0.313 0.301
10 C12 C C12 N Y N 0 2.16 2.858 0.587
11 N13 N N13 N Y N 0 0.961 3.532 0.653
12 C15 C C15 N Y N 0 7.438 -1.533 -0.138
13 C16 C C16 N Y N 0 2.918 0.637 -0.001
14 N18 N N18 N Y N 0 3.412 3.218 0.841
15 N19 N N19 N Y N 0 6.225 -1.971 -0.412
16 N20 N N20 N Y N 0 7.662 -0.298 0.264
17 C21 C C21 N N N 0 8.604 -2.477 -0.283
18 C23 C C23 N Y N 0 4.215 1.067 0.28
19 N24 N N24 N N N 0 -6.186 -2.012 0.453
20 C25 C C25 N N N 0 9.442 -2.761 0.965
21 C28 C C28 N N N 0 10.01 -1.887 -0.154
22 C31 C C31 N Y N 0 5.364 0.14 0.131
23 C32 C C32 N Y N 0 -2.266 0.758 -2.032
24 O33 O O33 N N N 0 -7.185 -0.394 2.026
25 O34 O O34 N N N 0 -6.973 0.166 -0.4
26 O35 O O35 N N N 0 0.184 -0.75 -0.64
27 C36 C C36 N Y N 0 6.667 0.56 0.41
28 C38 C C38 N Y N 0 5.173 -1.178 -0.292
29 C40 C C40 N Y N 0 4.417 2.382 0.703
30 C42 C C42 N Y N 0 -4.527 0.731 -1.238
31 C44 C C44 N Y N 0 -3.62 0.888 -2.27
32 F46 F F46 N N N 0 -2.294 0.036 1.551
33 F47 F F47 N N N 0 -1.383 0.913 -3.043
34 C48 C C48 N N N 0 -5.951 -2.433 -0.931
35 C51 C C51 N N N 0 -6.166 -3.002 1.533
36 C55 C C55 N N N 0 -4.446 -2.48 -1.2
37 H1 H H1 N N N 0 -4.791 0.606 1.98
38 H2 H H2 N N N 0 -1.102 3.012 0.255
39 H3 H H3 N N N 0 0.863 4.458 0.923
40 H4 H H4 N N N 0 2.727 -0.374 -0.331
41 H5 H H5 N N N 0 8.463 -3.293 -0.991
42 H6 H H6 N N N 0 9.15 -2.266 1.891
43 H7 H H7 N N N 0 9.852 -3.765 1.078
44 H8 H H8 N N N 0 10.794 -2.315 -0.779
45 H9 H H9 N N N 0 10.091 -0.816 0.035
46 H10 H H10 N N N 0 6.858 1.571 0.74
47 H11 H H11 N N N 0 4.183 -1.543 -0.519
48 H12 H H12 N N N 0 5.419 2.719 0.922
49 H13 H H13 N N N 0 -5.585 0.835 -1.431
50 H14 H H14 N N N 0 -3.972 1.113 -3.266
51 H15 H H15 N N N 0 -6.379 -3.423 -1.087
52 H16 H H16 N N N 0 -6.42 -1.722 -1.611
53 H17 H H17 N N N 0 -7.169 -3.403 1.677
54 H18 H H18 N N N 0 -5.485 -3.811 1.271
55 H19 H H19 N N N 0 -5.829 -2.527 2.454
56 H20 H H20 N N N 0 -4.017 -1.49 -1.044
57 H22 H H22 N N N 0 -4.271 -2.793 -2.23
58 H21 H H21 N N N 0 -3.977 -3.191 -0.52