Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 6H3

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 61


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C18 C C1 N Y N 0 1.561 2.094 0.387
2 C13 C C2 N Y N 0 -2.315 -0.879 -0.175
3 C12 C C3 N Y N 0 -2.786 0.24 -0.849
4 C17 C C4 N Y N 0 0.191 2.268 0.354
5 C15 C C5 N Y N 0 -0.082 -0.008 0.103
6 C11 C C6 N Y N 0 -4.144 0.443 -0.985
7 C10 C C7 N Y N 0 -3.211 -1.793 0.363
8 C22 C C8 N Y N 0 3.936 -0.732 0.289
9 C20 C C9 N Y N 0 2.072 0.799 0.264
10 C01 C C10 N N N 0 -10.514 0.398 0.211
11 N02 N N1 N N N 0 -9.068 0.182 0.355
12 C03 C C11 N N N 0 -8.307 1.263 -0.285
13 C04 C C12 N N N 0 -6.812 1.043 -0.043
14 C05 C C13 N N N 0 -8.674 -1.127 -0.186
15 C06 C C14 N N N 0 -7.179 -1.347 0.055
16 N07 N N2 N N N 0 -6.418 -0.265 -0.585
17 C08 C C15 N Y N 0 -5.041 -0.471 -0.447
18 C09 C C16 N Y N 0 -4.57 -1.587 0.232
19 N14 N N3 N N N 0 -0.936 -1.089 -0.042
20 N16 N N4 N Y N 0 -0.594 1.209 0.213
21 CL19 CL CL1 N N N 0 2.624 3.454 0.57
22 N21 N N5 N N N 0 3.44 0.577 0.292
23 C23 C C17 N Y N 0 3.132 -1.782 0.708
24 C24 C C18 N Y N 0 3.624 -3.073 0.704
25 C25 C C19 N Y N 0 4.918 -3.323 0.285
26 C26 C C20 N Y N 0 5.727 -2.283 -0.133
27 C27 C C21 N Y N 0 5.239 -0.985 -0.139
28 N28 N N6 N N N 0 6.057 0.071 -0.563
29 C29 C C22 N N N 0 7.396 -0.021 -0.436
30 C30 C C23 N N N 0 8.27 1.147 -0.813
31 C31 C C24 N N N 0 9.737 0.784 -0.575
32 O32 O O1 N N N 0 7.897 -1.043 -0.018
33 N33 N N7 N Y N 0 1.226 -0.216 0.12
34 H1 H H1 N N N 0 -2.089 0.951 -1.267
35 H2 H H2 N N N 0 -0.237 3.256 0.443
36 H3 H H3 N N N 0 -4.51 1.314 -1.509
37 H4 H H4 N N N 0 -2.845 -2.666 0.884
38 H5 H H5 N N N 0 -10.772 0.428 -0.848
39 H6 H H6 N N N 0 -11.053 -0.417 0.693
40 H7 H H7 N N N 0 -10.788 1.343 0.679
41 H9 H H9 N N N 0 -8.506 1.264 -1.356
42 H10 H H10 N N N 0 -8.607 2.221 0.142
43 H11 H H11 N N N 0 -6.243 1.829 -0.542
44 H12 H H12 N N N 0 -6.608 1.071 1.027
45 H13 H H13 N N N 0 -9.243 -1.912 0.312
46 H14 H H14 N N N 0 -8.878 -1.154 -1.257
47 H15 H H15 N N N 0 -6.98 -1.347 1.127
48 H16 H H16 N N N 0 -6.879 -2.304 -0.371
49 H17 H H17 N N N 0 -5.267 -2.298 0.65
50 H18 H H18 N N N 0 -0.58 -1.991 -0.052
51 H19 H H19 N N N 0 4.053 1.328 0.312
52 H20 H H20 N N N 0 2.121 -1.59 1.036
53 H21 H H21 N N N 0 2.997 -3.89 1.03
54 H22 H H22 N N N 0 5.298 -4.334 0.285
55 H23 H H23 N N N 0 6.737 -2.482 -0.46
56 H24 H H24 N N N 0 5.66 0.867 -0.948
57 H25 H H25 N N N 0 8.121 1.388 -1.866
58 H26 H H26 N N N 0 8.006 2.011 -0.202
59 H27 H H27 N N N 0 10.001 -0.079 -1.185
60 H28 H H28 N N N 0 10.369 1.629 -0.848
61 H29 H H29 N N N 0 9.886 0.544 0.478