Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 2C3

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 59


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N3 N N3 N Y N 0 7.683 -2.745 0.446
2 C4 C C4 N Y N 0 8.47 -1.684 0.314
3 C6 C C6 N N N 0 10.286 -3.199 0.495
4 C8 C C8 N Y N 0 6.681 -0.243 0.143
5 C10 C C10 N N N 0 4.853 1.245 -0.034
6 C13 C C13 N N N 0 4.413 -1.158 0.261
7 C17 C C17 N Y N 0 0.611 1.844 -0.12
8 C20 C C20 N Y N 0 -2.114 2.356 0.04
9 C21 C C21 N Y N 0 -1.207 3.369 0.272
10 C22 C C22 N Y N 0 0.151 3.118 0.199
11 C24 C C24 N N N 0 -2.632 -0.012 -0.536
12 C28 C C28 N N N 0 -5.173 -0.953 -2.217
13 O11 O O11 N N N 0 4.429 2.378 -0.17
14 N9 N N9 N N N 0 6.181 1.024 -0.01
15 N7 N N7 N Y N 0 7.992 -0.46 0.166
16 O5 O O5 N N N 0 9.811 -1.861 0.333
17 C2 C C2 N Y N 0 6.369 -2.627 0.435
18 C1 C C1 N Y N 0 5.811 -1.347 0.28
19 C12 C C12 N N N 0 3.915 0.126 0.106
20 C14 C C14 N N N 0 2.463 0.364 0.081
21 O15 O O15 N N N 0 1.693 -0.55 0.308
22 N16 N N16 N N N 0 1.986 1.595 -0.192
23 C18 C C18 N Y N 0 -0.292 0.822 -0.36
24 CL2 CL CL2 N N N 0 1.285 4.396 0.506
25 C19 C C19 N Y N 0 -1.662 1.074 -0.281
26 O25 O O25 N N N 0 -2.236 -1.127 -0.816
27 N26 N N26 N N N 0 -3.955 0.234 -0.459
28 C27 C C27 R N N 0 -4.916 -0.842 -0.712
29 C29 C C29 N N N 0 -3.886 -1.385 -2.923
30 N30 N N30 N N N 0 -4.133 -1.492 -4.367
31 C31 C C31 N Y N 0 -6.21 -0.537 -0.003
32 C32 C C32 N Y N 0 -6.909 -1.55 0.625
33 C33 C C33 N Y N 0 -8.097 -1.269 1.277
34 CL3 CL CL3 N N N 0 -8.976 -2.542 2.066
35 C35 C C35 N Y N 0 -8.584 0.025 1.299
36 C36 C C36 N Y N 0 -7.884 1.038 0.671
37 C37 C C37 N Y N 0 -6.694 0.758 0.025
38 H1 H H1 N N N 0 9.924 -3.601 1.442
39 H2 H H2 N N N 0 9.92 -3.817 -0.325
40 H3 H H3 N N N 0 11.376 -3.201 0.493
41 H4 H H4 N N N 0 3.743 -1.998 0.365
42 H5 H H5 N N N 0 -3.174 2.556 0.098
43 H6 H H6 N N N 0 -1.559 4.361 0.512
44 H7 H H7 N N N 0 -5.953 -1.692 -2.398
45 H8 H H8 N N N 0 -5.492 0.015 -2.603
46 H9 H H9 N N N 0 6.792 1.771 -0.103
47 H10 H H10 N N N 0 5.736 -3.496 0.542
48 H11 H H11 N N N 0 2.596 2.307 -0.439
49 H12 H H12 N N N 0 0.063 -0.168 -0.608
50 H13 H H13 N N N 0 -4.27 1.124 -0.237
51 H14 H H14 N N N 0 -4.512 -1.784 -0.342
52 H15 H H15 N N N 0 -3.106 -0.646 -2.741
53 H16 H H16 N N N 0 -3.567 -2.353 -2.537
54 H17 H H17 N N N 0 -3.298 -1.776 -4.857
55 H18 H H18 N N N 0 -4.897 -2.123 -4.558
56 H20 H H20 N N N 0 -6.529 -2.56 0.607
57 H21 H H21 N N N 0 -9.511 0.245 1.808
58 H22 H H22 N N N 0 -8.262 2.049 0.692
59 H23 H H23 N N N 0 -6.147 1.55 -0.466