Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : B94

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 71


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 8.262 -0.661 -0.224
2 C2 C C2 N N N 0 6.929 -1.259 -0.594
3 O3 O O3 N N N 0 6.562 -1.251 -1.745
4 C4 C C4 S N N 0 6.053 -1.867 0.471
5 C5 C C5 N N N 0 6.623 -3.224 0.887
6 C6 C C6 N N N 0 5.82 -3.776 2.036
7 O7 O O7 N N N 0 6.141 -4.965 2.57
8 O8 O O8 N N N 0 4.886 -3.148 2.477
9 N9 N N9 N N N 0 4.698 -2.047 -0.055
10 C10 C C10 N N N 0 3.818 -1.027 -0.015
11 O11 O O11 N N N 0 4.148 0.04 0.458
12 C12 C C12 S N N 0 2.424 -1.213 -0.556
13 C13 C C13 N N N 0 2.484 -1.528 -2.033
14 C14 C C14 N N N 0 1.51 -1.232 -2.851
15 C15 C C15 R N N 0 0.242 -0.552 -2.386
16 C16 C C16 N N N 0 -0.758 -1.599 -1.892
17 N29 N N29 N N N 0 0.603 0.349 -1.287
18 N30 N N30 N N N 0 1.66 0.029 -0.401
19 C31 C C31 N N N 0 1.75 1.024 0.48
20 O32 O O32 N N N 0 2.547 1.096 1.395
21 N33 N N33 N N N 0 0.802 1.939 0.18
22 C34 C C34 N N N 0 0.567 3.187 0.911
23 C35 C C35 N N N 0 1.418 4.303 0.3
24 C36 C C36 N N N 0 1.172 5.606 1.063
25 C37 C C37 N N N 0 2.01 6.705 0.462
26 O38 O O38 N N N 0 2.729 6.47 -0.48
27 O39 O O39 N N N 0 1.957 7.945 0.973
28 C40 C C40 N N N 0 0.105 1.522 -0.899
29 O41 O O41 N N N 0 -0.816 2.114 -1.425
30 C18 C C18 N N N 0 -2.081 -0.915 -1.541
31 N5 N N5 N N N 0 -3.039 -1.917 -1.068
32 C19 C C19 N N N 0 -4.28 -1.542 -0.699
33 C20 C C20 N N N 0 -5.265 -2.573 -0.213
34 O9 O O9 N N N 0 -4.603 -0.375 -0.759
35 C21 C C21 N Y N 0 -6.568 -1.899 0.133
36 C22 C C22 N Y N 0 -7.548 -1.754 -0.831
37 C23 C C23 N Y N 0 -8.743 -1.136 -0.514
38 C24 C C24 N Y N 0 -8.958 -0.662 0.768
39 C25 C C25 N Y N 0 -7.977 -0.808 1.732
40 C26 C C26 N Y N 0 -6.785 -1.431 1.416
41 CL1 CL CL1 N N N 0 -10.459 0.115 1.167
42 H1 H H1 N N N 0 8.891 -1.428 0.229
43 H1A H H1A N N N 0 8.748 -0.274 -1.119
44 H1B H H1B N N N 0 8.11 0.15 0.488
45 H4 H H4 N N N 0 6.022 -1.205 1.337
46 H5 H H5 N N N 0 6.573 -3.914 0.044
47 H5A H H5A N N N 0 7.662 -3.103 1.195
48 HO7 H HO7 N N N 0 5.596 -5.278 3.306
49 HN9 H HN9 N N N 0 4.434 -2.901 -0.433
50 H12 H H12 N N N 0 1.925 -2.023 -0.024
51 H13 H H13 N N N 0 3.365 -2.014 -2.426
52 H14 H H14 N N N 0 1.613 -1.483 -3.896
53 H15 H H15 N N N 0 -0.193 0.02 -3.205
54 H16 H H16 N N N 0 -0.928 -2.337 -2.675
55 H16A H H16A N N N 0 -0.359 -2.094 -1.007
56 H34 H H34 N N N 0 -0.487 3.455 0.843
57 H34A H H34A N N N 0 0.841 3.052 1.957
58 H35 H H35 N N N 0 2.472 4.035 0.368
59 H35A H H35A N N N 0 1.144 4.437 -0.746
60 H36 H H36 N N N 0 0.118 5.874 0.995
61 H36A H H36A N N N 0 1.446 5.472 2.11
62 HO39 H HO39 N N N 0 2.512 8.617 0.554
63 H25 H H25 N N N 0 -5.435 -3.312 -0.996
64 H22 H H22 N N N 0 -1.911 -0.176 -0.757
65 H23 H H23 N N N 0 -2.48 -0.419 -2.426
66 H24 H H24 N N N 0 -2.78 -2.851 -1.02
67 H26 H H26 N N N 0 -4.866 -3.068 0.673
68 H27 H H27 N N N 0 -7.38 -2.123 -1.832
69 H28 H H28 N N N 0 -9.509 -1.022 -1.267
70 H29 H H29 N N N 0 -8.144 -0.439 2.734
71 H30 H H30 N N N 0 -6.02 -1.549 2.17