Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 96L

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 80


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 1.135 -4.374 0.711
2 C2 C C2 N Y N 0 -0.676 -3.292 0.158
3 C3 C C3 N Y N 0 0.582 -0.873 -0.256
4 N6 N N1 N N N 0 2.558 0.576 -0.161
5 C7 C C4 N N N 0 -3.985 -0.298 0.389
6 C8 C C5 N N N 0 -4.852 0.886 -0.045
7 C9 C C6 N N N 0 -5.708 -0.361 -1.939
8 C10 C C7 N N N 0 -4.866 -1.582 -1.561
9 C11 C C8 N N N 0 -6.978 1.49 -1.034
10 C12 C C9 N N N 0 -7.654 1.965 0.254
11 C13 C C10 N N N 0 -8.7 3.03 -0.082
12 C14 C C11 N N N 0 -8.335 0.779 0.939
13 C15 C C12 N N N 0 1.256 0.428 -0.479
14 C16 C C13 S N N 0 3.382 -0.529 0.374
15 C19 C C14 N Y N 0 6.263 0.148 -1.937
16 C20 C C15 N Y N 0 6.934 1.234 -2.462
17 C21 C C16 N Y N 0 6.418 2.506 -2.299
18 C22 C C17 N Y N 0 5.235 2.681 -1.61
19 C24 C C18 R N N 0 3.281 1.852 -0.323
20 C27 C C19 N N N 0 2.359 2.828 1.786
21 O1 O O1 N N N 0 4.656 -0.823 2.316
22 C26 C C20 N N N 0 4.133 -0.018 1.575
23 N7 N N2 N N N 0 4.249 1.28 1.862
24 C25 C C21 R N N 0 3.633 2.357 1.082
25 C29 C C22 N N N 0 2.717 3.4 3.159
26 C28 C C23 N N N 0 1.681 3.91 0.944
27 C23 C C24 N Y N 0 4.561 1.591 -1.079
28 C18 C C25 N Y N 0 5.071 0.322 -1.245
29 C17 C C26 N N N 0 4.386 -0.904 -0.721
30 O O O2 N N N 0 0.636 1.361 -0.948
31 N3 N N3 N Y N 0 1.292 -1.917 0.117
32 N2 N N4 N Y N 0 0.681 -3.153 0.334
33 C C C27 N N N 0 2.563 -4.735 1.03
34 C4 C C28 N Y N 0 -0.809 -0.976 -0.447
35 C5 C C29 N Y N 0 -1.441 -2.173 -0.243
36 N1 N N5 N Y N 0 -0.97 -4.552 0.429
37 N N N6 N Y N 0 0.104 -5.182 0.754
38 N4 N N7 N N N 0 -2.814 -2.286 -0.428
39 C6 C C30 N N N 0 -3.596 -1.118 -0.844
40 N5 N N8 N N N 0 -6.055 0.389 -0.726
41 F F F1 N N N 0 -6.692 2.51 1.112
42 H1 H H1 N N N 0 -3.085 0.071 0.88
43 H2 H H2 N N N 0 -4.546 -0.925 1.082
44 H3 H H3 N N N 0 -5.143 1.464 0.832
45 H4 H H4 N N N 0 -4.286 1.52 -0.727
46 H5 H H5 N N N 0 -5.137 0.279 -2.611
47 H6 H H6 N N N 0 -6.62 -0.689 -2.437
48 H7 H H7 N N N 0 -5.442 -2.23 -0.9
49 H8 H H8 N N N 0 -4.595 -2.131 -2.463
50 H9 H H9 N N N 0 -7.736 1.143 -1.736
51 H10 H H10 N N N 0 -6.422 2.316 -1.479
52 H11 H H11 N N N 0 -9.449 2.606 -0.75
53 H12 H H12 N N N 0 -9.181 3.368 0.836
54 H13 H H13 N N N 0 -8.214 3.875 -0.57
55 H14 H H14 N N N 0 -7.59 0.021 1.179
56 H15 H H15 N N N 0 -8.817 1.118 1.857
57 H16 H H16 N N N 0 -9.084 0.355 0.271
58 H17 H H17 N N N 0 2.757 -1.38 0.645
59 H18 H H18 N N N 0 6.668 -0.845 -2.065
60 H19 H H19 N N N 0 7.86 1.09 -2.998
61 H20 H H20 N N N 0 6.938 3.358 -2.71
62 H21 H H21 N N N 0 4.831 3.675 -1.483
63 H22 H H22 N N N 0 2.66 2.579 -0.846
64 H23 H H23 N N N 0 1.68 1.985 1.91
65 H24 H H24 N N N 0 4.779 1.527 2.636
66 H25 H H25 N N N 0 4.331 3.191 1.002
67 H26 H H26 N N N 0 1.804 3.655 3.696
68 H27 H H27 N N N 0 3.277 2.657 3.727
69 H28 H H28 N N N 0 3.326 4.295 3.033
70 H29 H H29 N N N 0 1.426 3.503 -0.034
71 H30 H H30 N N N 0 0.774 4.245 1.446
72 H31 H H31 N N N 0 2.361 4.753 0.82
73 H32 H H32 N N N 0 5.13 -1.585 -0.308
74 H33 H H33 N N N 0 3.861 -1.401 -1.537
75 H34 H H34 N N N 0 3.063 -5.073 0.122
76 H35 H H35 N N N 0 3.079 -3.86 1.425
77 H36 H H36 N N N 0 2.579 -5.533 1.772
78 H37 H H37 N N N 0 -1.377 -0.11 -0.753
79 H38 H H38 N N N 0 -3.254 -3.138 -0.282
80 H39 H H39 N N N 0 -3.001 -0.502 -1.519