Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 9H9

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 56


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C1 N N N 0 1.479 0.043 0.495
2 C11 C C2 N Y N 0 2.724 0.749 0.014
3 C12 C C3 N Y N 0 2.919 1.996 -0.549
4 C14 C C4 N Y N 0 4.194 2.409 -0.899
5 C15 C C5 N Y N 0 5.274 1.57 -0.684
6 C01 C C6 N N N 0 -6.737 0.436 -0.076
7 C02 C C7 N N N 0 -5.264 0.195 0.115
8 C03 C C8 N N N 0 -4.649 0.722 1.271
9 C06 C C9 N N N 0 -2.624 -0.203 0.55
10 C08 C C10 N N N 0 -0.527 -1.29 -0.157
11 C09 C C11 N N N 0 0.685 -0.511 -0.682
12 C17 C C12 N Y N 0 5.083 0.321 -0.126
13 C18 C C13 N Y N 0 3.803 -0.103 0.227
14 C20 C C14 N N N 0 3.369 -2.384 -0.223
15 C21 C C15 N N N 0 4.806 -2.741 -0.606
16 C23 C C16 N N N 0 2.03 -1.109 1.355
17 C24 C C17 N N N 0 0.624 0.975 1.344
18 C25 C C18 N N N 0 -0.589 0.207 1.881
19 C27 C C19 N N N 0 -4.508 -0.502 -0.771
20 C28 C C20 N N N 0 -5.072 -1.083 -2.041
21 C29 C C21 N N N 0 -6.595 -1.172 -1.961
22 C30 C C22 N N N 0 -7.136 0.197 -1.531
23 F13 F F1 N N N 0 1.864 2.813 -0.757
24 F16 F F2 N N N 0 6.518 1.973 -1.023
25 N05 N N1 N N N 0 -3.332 0.511 1.467
26 N07 N N2 N N N 0 -1.288 -0.421 0.752
27 N19 N N3 N N N 0 3.381 -1.316 0.786
28 N26 N N4 N N N 0 -3.204 -0.685 -0.527
29 O04 O O1 N N N 0 -5.3 1.36 2.081
30 O22 O O2 N N N 0 5.477 -3.298 0.526
31 H4 H H4 N N N 0 -1.16 -1.588 -0.993
32 H1 H H1 N N N 0 4.345 3.384 -1.338
33 H2 H H2 N N N 0 -7.298 -0.243 0.567
34 H3 H H3 N N N 0 -6.971 1.465 0.196
35 H5 H H5 N N N 0 -0.187 -2.176 0.378
36 H6 H H6 N N N 0 0.344 0.313 -1.31
37 H7 H H7 N N N 0 1.319 -1.176 -1.268
38 H8 H H8 N N N 0 5.929 -0.33 0.038
39 H9 H H9 N N N 0 2.831 -2.043 -1.107
40 H10 H H10 N N N 0 2.873 -3.265 0.186
41 H11 H H11 N N N 0 4.797 -3.469 -1.417
42 H12 H H12 N N N 0 5.329 -1.841 -0.932
43 H13 H H13 N N N 0 2.093 -0.814 2.403
44 H14 H H14 N N N 0 1.42 -2.005 1.24
45 H15 H H15 N N N 0 1.215 1.351 2.178
46 H16 H H16 N N N 0 0.283 1.812 0.734
47 H20 H H20 N N N 0 -4.661 -2.081 -2.193
48 H17 H H17 N N N 0 -0.255 -0.561 2.578
49 H18 H H18 N N N 0 -1.262 0.897 2.391
50 H19 H H19 N N N 0 -4.792 -0.448 -2.882
51 H21 H H21 N N N 0 -6.998 -1.436 -2.938
52 H22 H H22 N N N 0 -6.88 -1.927 -1.229
53 H23 H H23 N N N 0 -8.223 0.206 -1.62
54 H24 H H24 N N N 0 -6.709 0.976 -2.162
55 H25 H H25 N N N 0 -2.892 0.865 2.256
56 H26 H H26 N N N 0 6.396 -3.547 0.356