Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 96I

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 55


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C01 C C1 N N N 0 -1.841 4.685 1.276
2 C03 C C2 N Y N 0 -1.322 2.697 -0.112
3 C04 C C3 N Y N 0 0.035 2.37 -0.184
4 C05 C C4 N N N 0 1.024 3.4 -0.295
5 C07 C C5 N Y N 0 0.417 1.015 -0.145
6 C10 C C6 N N N 0 2.092 -1.307 -1.564
7 C13 C C7 N Y N 0 3.573 -0.825 0.341
8 C14 C C8 N Y N 0 4.523 0.095 -0.061
9 C15 C C9 N Y N 0 5.82 0.0 0.408
10 C16 C C10 N Y N 0 6.167 -1.016 1.28
11 C20 C C11 N Y N 0 -1.786 0.327 0.023
12 C02 C C12 N N N 0 -1.774 4.134 -0.15
13 C09 C C13 R N N 0 2.161 -0.725 -0.176
14 C17 C C14 N Y N 0 5.216 -1.936 1.682
15 C18 C C15 N Y N 0 3.92 -1.841 1.212
16 C22 C C16 N N N 0 -2.484 -1.472 1.361
17 C23 C C17 N N N 0 -3.594 -2.515 1.511
18 C24 C C18 N N N 0 -3.572 -3.453 0.301
19 C26 C C19 N N N 0 -3.743 -2.628 -0.977
20 C27 C C20 N N N 0 -2.629 -1.581 -1.055
21 C28 C C21 N Y N 0 -2.249 1.657 -0.01
22 C29 C C22 N N N 0 -3.651 1.939 0.062
23 N06 N N1 N N N 0 1.809 4.217 -0.383
24 N08 N N2 N N N 0 1.754 0.682 -0.215
25 N11 N N3 N N N 0 2.424 -2.597 -1.771
26 N19 N N4 N Y N 0 -0.491 0.058 -0.042
27 N21 N N5 N N N 0 -2.693 -0.708 0.124
28 N25 N N6 N N N 0 -4.672 -4.421 0.411
29 N30 N N7 N N N 0 -4.763 2.163 0.118
30 O12 O O1 N N N 0 1.737 -0.615 -2.495
31 H1 H H1 N N N 0 -2.549 4.097 1.86
32 H2 H H2 N N N 0 -0.854 4.627 1.735
33 H3 H H3 N N N 0 -2.168 5.725 1.248
34 H4 H H4 N N N 0 4.252 0.888 -0.742
35 H5 H H5 N N N 0 6.562 0.718 0.094
36 H6 H H6 N N N 0 7.18 -1.091 1.646
37 H7 H H7 N N N 0 -2.76 4.192 -0.609
38 H8 H H8 N N N 0 -1.066 4.722 -0.734
39 H9 H H9 N N N 0 1.493 -1.278 0.484
40 H10 H H10 N N N 0 5.487 -2.729 2.363
41 H11 H H11 N N N 0 3.179 -2.563 1.523
42 H12 H H12 N N N 0 -2.506 -0.794 2.214
43 H13 H H13 N N N 0 -1.518 -1.973 1.32
44 H14 H H14 N N N 0 -3.43 -3.092 2.422
45 H15 H H15 N N N 0 -4.56 -2.014 1.566
46 H16 H H16 N N N 0 -2.621 -3.984 0.269
47 H17 H H17 N N N 0 -3.686 -3.285 -1.845
48 H18 H H18 N N N 0 -4.712 -2.128 -0.961
49 H19 H H19 N N N 0 -1.662 -2.082 -1.085
50 H20 H H20 N N N 0 -2.757 -0.982 -1.957
51 H21 H H21 N N N 0 2.424 1.378 -0.291
52 H22 H H22 N N N 0 2.707 -3.151 -1.027
53 H23 H H23 N N N 0 2.379 -2.972 -2.665
54 H24 H H24 N N N 0 -4.679 -5.052 -0.377
55 H25 H H25 N N N 0 -4.62 -4.93 1.281