Chemical Components in the PDB

pdbe.org/chem
spacer

PDBeChem : Atoms of Molecule

 Molecule : M9B

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 73


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 5.799 0.111 -0.482
2 C14 C C2 S N N 0 -0.043 1.808 1.174
3 C5 C C3 N N N 0 4.446 0.045 0.198
4 C6 C C4 N N N 0 4.195 -1.12 1.07
5 C11 C C5 N N N 0 0.384 3.247 -1.365
6 C7 C C6 N N N 0 3.516 1.005 0.015
7 C8 C C7 N N N 0 2.22 0.907 0.69
8 C9 C C8 N N N 0 1.301 1.855 0.51
9 C10 C C9 N N N 0 1.54 3.063 -0.384
10 C12 C C10 N N N 0 -0.972 3.178 -0.665
11 C13 C C11 R N N 0 -1.081 1.834 0.016
12 C3 C C12 R N N 0 6.102 -1.263 -1.089
13 O O O1 N N N 0 7.397 -1.241 -1.692
14 C1 C C13 S N N 0 4.643 -2.472 0.55
15 C15 C C14 N N N 0 -0.41 0.507 1.892
16 C16 C C15 N N N 0 -1.964 0.552 1.91
17 C17 C C16 R N N 0 -2.389 1.477 0.704
18 C18 C C17 N N N 0 -0.733 0.73 -0.985
19 C19 C C18 N N N 0 3.604 -0.99 2.258
20 C2 C C19 N N N 0 6.068 -2.331 0.0050
21 C20 C C20 R N N 0 -3.308 0.724 -0.261
22 C21 C C21 N N N 0 -3.726 1.656 -1.4
23 C22 C C22 N N N 0 -4.553 0.246 0.489
24 C23 C C23 N N N 0 -5.412 -0.612 -0.442
25 C24 C C24 N N N 0 -6.657 -1.089 0.308
26 C25 C C25 N N N 0 -7.516 -1.948 -0.623
27 C26 C C26 N N N 0 -6.752 -3.221 -0.992
28 C27 C C27 N N N 0 -8.819 -2.322 0.085
29 O1 O O2 N N N 0 3.767 -2.899 -0.495
30 H1 H H1 N N N 0 5.778 0.864 -1.27
31 H2 H H2 N N N 0 6.566 0.367 0.249
32 H3 H H3 N N N 0 -0.176 2.664 1.835
33 H4 H H4 N N N 0 0.481 4.215 -1.857
34 H5 H H5 N N N 0 0.435 2.461 -2.118
35 H6 H H6 N N N 0 3.727 1.847 -0.628
36 H7 H H7 N N N 0 2.009 0.065 1.334
37 H8 H H8 N N N 0 2.465 2.918 -0.943
38 H9 H H9 N N N 0 1.632 3.956 0.235
39 H10 H H10 N N N 0 -1.043 3.968 0.083
40 H11 H H11 N N N 0 -1.772 3.289 -1.397
41 H12 H H12 N N N 0 5.353 -1.498 -1.846
42 H13 H H13 N N N 0 7.49 -0.59 -2.401
43 H14 H H14 N N N 0 4.63 -3.2 1.36
44 H15 H H15 N N N 0 -0.055 -0.36 1.334
45 H16 H H16 N N N 0 -0.012 0.505 2.906
46 H17 H H17 N N N 0 -2.369 -0.451 1.771
47 H18 H H18 N N N 0 -2.316 0.97 2.853
48 H19 H H19 N N N 0 -2.882 2.377 1.072
49 H20 H H20 N N N 0 0.317 0.812 -1.266
50 H21 H H21 N N N 0 -0.912 -0.243 -0.529
51 H22 H H22 N N N 0 -1.356 0.836 -1.873
52 H23 H H23 N N N 0 3.296 -0.014 2.603
53 H24 H H24 N N N 0 3.434 -1.86 2.875
54 H25 H H25 N N N 0 6.393 -3.285 -0.41
55 H26 H H26 N N N 0 6.739 -2.042 0.814
56 H27 H H27 N N N 0 -2.779 -0.136 -0.671
57 H28 H H28 N N N 0 -2.846 1.944 -1.975
58 H29 H H29 N N N 0 -4.433 1.142 -2.05
59 H30 H H30 N N N 0 -4.196 2.548 -0.986
60 H31 H H31 N N N 0 -4.252 -0.345 1.354
61 H32 H H32 N N N 0 -5.13 1.109 0.823
62 H33 H H33 N N N 0 -5.713 -0.02 -1.306
63 H34 H H34 N N N 0 -4.835 -1.474 -0.775
64 H35 H H35 N N N 0 -6.356 -1.681 1.173
65 H36 H H36 N N N 0 -7.234 -0.227 0.642
66 H37 H H37 N N N 0 -7.743 -1.385 -1.529
67 H38 H H38 N N N 0 -5.823 -2.954 -1.497
68 H39 H H39 N N N 0 -6.524 -3.783 -0.086
69 H40 H H40 N N N 0 -7.363 -3.832 -1.656
70 H41 H H41 N N N 0 -9.363 -1.415 0.348
71 H42 H H42 N N N 0 -9.431 -2.933 -0.578
72 H43 H H43 N N N 0 -8.592 -2.884 0.991
73 H44 H H44 N N N 0 2.845 -2.993 -0.222