Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 21C

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 46


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C02 C C02 N Y N 0 5.801 0.547 -0.182
2 C03 C C03 N Y N 0 4.602 1.189 0.074
3 C05 C C05 N Y N 0 3.429 0.46 0.161
4 C06 C C06 N Y N 0 3.454 -0.916 -0.0090
5 C08 C C08 N N N 0 0.999 -0.976 0.349
6 C09 C C09 N N N 0 -0.115 -1.99 0.392
7 C11 C C11 N N N 0 -1.69 -0.171 0.845
8 C12 C C12 N N N 0 -2.796 0.247 -0.129
9 C13 C C13 N N N 0 -3.995 -0.69 0.034
10 C17 C C17 N N N 0 -5.428 2.282 0.065
11 C18 C C18 N N N 0 -6.447 3.297 0.586
12 C20 C C20 N N N 0 -3.574 -2.123 -0.299
13 C21 C C21 N N N 0 -2.477 -2.568 0.673
14 C23 C C23 N Y N 0 4.662 -1.562 -0.267
15 C25 C C25 N Y N 0 5.831 -0.826 -0.359
16 CL1 CL CL1 N N N 0 7.269 1.466 -0.29
17 CL2 CL CL2 N N N 0 4.569 2.911 0.287
18 H051 H H051 N N N 0 2.494 0.962 0.361
19 H071 H H071 N N N 0 2.287 -2.618 -0.041
20 H081 H H081 N N N 0 1.06 -0.462 1.308
21 H082 H H082 N N N 0 0.8 -0.251 -0.44
22 H111 H H111 N N N 0 -2.031 -0.024 1.87
23 H112 H H112 N N N 0 -0.798 0.428 0.665
24 H121 H H121 N N N 0 -2.422 0.185 -1.151
25 H122 H H122 N N N 0 -3.102 1.271 0.086
26 H131 H H131 N N N 0 -4.352 -0.646 1.063
27 H141 H H141 N N N 0 -5.071 -0.58 -1.792
28 H171 H H171 N N N 0 -4.671 2.103 0.829
29 H172 H H172 N N N 0 -4.952 2.673 -0.834
30 H182 H H182 N N N 0 -7.204 3.476 -0.178
31 H183 H H183 N N N 0 -6.923 2.906 1.485
32 H2 H H2 N N Y 0 -5.94 4.233 0.821
33 H201 H H201 N N N 0 -4.434 -2.786 -0.205
34 H202 H H202 N N N 0 -3.194 -2.162 -1.32
35 H211 H H211 N N N 0 -2.882 -2.616 1.684
36 H212 H H212 N N N 0 -2.105 -3.549 0.379
37 H241 H H241 N N N 0 4.57 -3.196 -1.352
38 H251 H H251 N N N 0 6.767 -1.323 -0.563
39 N07 N N07 N N N 0 2.268 -1.656 0.078
40 N10 N N10 N N N 0 -1.38 -1.591 0.628
41 N14 N N14 N N N 0 -5.067 -0.272 -0.872
42 O16 O O16 N N N 0 -6.736 0.096 0.86
43 O19 O O19 N N N 0 -7.126 0.889 -1.45
44 O22 O O22 N N N 0 0.127 -3.165 0.214
45 O24 O O24 N N N 0 4.691 -2.911 -0.435
46 S15 S S15 N N N 0 -6.272 0.725 -0.327