Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 94R

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 75


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 -4.742 1.314 -0.644
2 O1 O O1 N N N 0 -7.987 -0.02 0.701
3 C2 C C2 N N N 0 -6.084 1.338 0.09
4 C3 C C3 S N N 0 -6.695 -0.064 0.091
5 C4 C C4 N N N 0 -5.79 -1.015 0.881
6 C5 C C5 N N N 0 -4.394 -0.952 0.286
7 C10 C C6 R N N 0 -3.769 0.4 0.105
8 C19 C C7 N N N 0 -3.523 1.0 1.491
9 C9 C C8 S N N 0 -2.434 0.354 -0.62
10 C11 C C9 N N N 0 -1.656 1.638 -0.349
11 C12 C C10 N N N 0 -0.263 1.607 -0.998
12 C13 C C11 R N N 0 0.458 0.391 -0.449
13 C18 C C12 N N N 0 0.454 0.43 1.08
14 C17 C C13 R N N 0 1.878 0.157 -0.957
15 C20 C C14 R N N 0 2.894 0.766 0.01
16 C22 C C15 N N N 0 4.31 0.397 -0.438
17 C23 C C16 N N N 0 5.319 0.9 0.596
18 C24 C C17 N N N 0 6.714 0.537 0.155
19 C28 C C18 N N N 0 7.436 1.403 -0.511
20 C25 C C19 N N N 0 7.276 -0.823 0.479
21 C27 C C20 N N N 0 7.308 -1.013 1.997
22 C26 C C21 N N N 0 6.396 -1.903 -0.151
23 C21 C C22 N N N 0 2.742 2.289 0.018
24 C16 C C23 N N N 0 2.045 -1.382 -1.012
25 C15 C C24 N N N 0 0.671 -1.987 -0.612
26 C14 C C25 S N N 0 -0.315 -0.86 -0.946
27 C8 C C26 S N N 0 -1.64 -0.893 -0.206
28 C7 C C27 N N N 0 -2.436 -2.131 -0.636
29 C6 C C28 N N N 0 -3.809 -2.069 -0.034
30 H1 H H1 N N N 0 -4.887 0.938 -1.657
31 H2 H H2 N N N 0 -4.332 2.324 -0.687
32 H3 H H3 N N N 0 -8.435 -0.877 0.736
33 H4 H H4 N N N 0 -5.93 1.668 1.117
34 H5 H H5 N N N 0 -6.761 2.027 -0.415
35 H6 H H6 N N N 0 -6.79 -0.421 -0.934
36 H7 H H7 N N N 0 -5.758 -0.707 1.926
37 H8 H H8 N N N 0 -6.175 -2.032 0.809
38 H9 H H9 N N N 0 -4.467 1.067 2.031
39 H10 H H10 N N N 0 -2.832 0.365 2.045
40 H11 H H11 N N N 0 -3.095 1.997 1.384
41 H12 H H12 N N N 0 -2.628 0.288 -1.691
42 H13 H H13 N N N 0 -2.215 2.484 -0.749
43 H14 H H14 N N N 0 -1.543 1.765 0.728
44 H15 H H15 N N N 0 -0.359 1.526 -2.08
45 H16 H H16 N N N 0 0.287 2.513 -0.739
46 H17 H H17 N N N 0 -0.574 0.453 1.44
47 H18 H H18 N N N 0 0.955 -0.457 1.468
48 H19 H H19 N N N 0 0.979 1.323 1.422
49 H20 H H20 N N N 0 1.998 0.585 -1.952
50 H21 H H21 N N N 0 2.718 0.379 1.014
51 H22 H H22 N N N 0 4.391 -0.686 -0.528
52 H23 H H23 N N N 0 4.517 0.859 -1.403
53 H24 H H24 N N N 0 5.238 1.983 0.687
54 H25 H H25 N N N 0 5.112 0.438 1.561
55 H26 H H26 N N N 0 8.436 1.142 -0.828
56 H27 H H27 N N N 0 7.033 2.377 -0.744
57 H28 H H28 N N N 0 8.288 -0.902 0.082
58 H29 H H29 N N N 0 6.296 -0.934 2.395
59 H30 H H30 N N N 0 7.715 -1.996 2.232
60 H31 H H31 N N N 0 7.935 -0.243 2.447
61 H32 H H32 N N N 0 6.373 -1.768 -1.232
62 H33 H H33 N N N 0 6.803 -2.887 0.084
63 H34 H H34 N N N 0 5.384 -1.825 0.246
64 H35 H H35 N N N 0 1.755 2.553 0.396
65 H36 H H36 N N N 0 3.506 2.727 0.659
66 H37 H H37 N N N 0 2.856 2.67 -0.997
67 H38 H H38 N N N 0 2.311 -1.694 -2.022
68 H39 H H39 N N N 0 2.813 -1.701 -0.307
69 H40 H H40 N N N 0 0.455 -2.878 -1.202
70 H41 H H41 N N N 0 0.645 -2.216 0.453
71 H42 H H42 N N N 0 -0.474 -0.806 -2.023
72 H43 H H43 N N N 0 -1.471 -0.892 0.871
73 H44 H H44 N N N 0 -2.515 -2.154 -1.723
74 H45 H H45 N N N 0 -1.926 -3.03 -0.289
75 H46 H H46 N N N 0 -4.337 -2.995 0.142