Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : X9D

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 52


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C05 C C1 N N N 0 3.635 0.287 -0.13
2 C06 C C2 N Y N 0 2.961 -1.061 -0.11
3 C07 C C3 N Y N 0 1.55 -1.154 -0.121
4 C08 C C4 N N N 0 0.752 0.01 -0.146
5 C10 C C5 S N N -1 -1.318 0.991 -0.184
6 C11 C C6 N N N 0 -2.711 0.987 -0.76
7 C12 C C7 R N N 0 -3.717 0.654 0.343
8 C14 C C8 N Y N 0 -5.13 0.723 -0.19
9 C15 C C9 N Y N 0 -5.666 -0.55 -0.045
10 C17 C C10 N N N 0 -3.559 -0.785 0.788
11 C19 C C11 N Y N 0 -6.976 -0.781 -0.46
12 C20 C C12 N Y N 0 -7.721 0.244 -1.005
13 C21 C C13 N Y N 0 -7.176 1.507 -1.145
14 C22 C C14 N Y N 0 -5.875 1.744 -0.736
15 C23 C C15 N N N 0 -0.831 2.13 0.457
16 C26 C C16 N Y N 0 0.954 -2.44 -0.108
17 C28 C C17 N Y N 0 1.752 -3.539 -0.085
18 C29 C C18 N N N 0 1.131 -4.912 -0.071
19 C31 C C19 N Y N 0 3.7 -2.194 -0.087
20 N09 N N1 N N N 1 -0.554 -0.09 -0.288
21 N16 N N2 N N N 0 -4.725 -1.407 0.528
22 N30 N N3 N Y N 1 3.104 -3.411 -0.075
23 O01 O O1 N N N 0 5.951 2.142 -1.527
24 O03 O O2 N N N 0 5.789 2.255 0.99
25 O04 O O3 N N N 0 5.052 0.111 -0.12
26 O13 O O4 N N N 0 -3.556 1.541 1.451
27 O18 O O5 N N N 0 -2.571 -1.285 1.282
28 O24 O O6 N N N 0 -0.118 2.019 1.44
29 O25 O O7 N N N 0 -1.15 3.359 -0.011
30 O27 O O8 N N N -1 -0.399 -2.572 -0.117
31 O32 O O9 N N N 0 7.591 0.782 0.013
32 P02 P P1 N N N 0 6.089 1.342 -0.137
33 H051 H H1 N N N 0 3.342 0.826 -1.031
34 H052 H H2 N N N 0 3.333 0.857 0.749
35 H081 H H4 N N N 0 1.211 0.982 -0.047
36 H111 H H6 N N N 0 -2.936 1.971 -1.172
37 H112 H H7 N N N 0 -2.776 0.239 -1.55
38 H191 H H8 N N N 0 -7.409 -1.765 -0.354
39 H201 H H9 N N N 0 -8.736 0.058 -1.326
40 H211 H H10 N N N 0 -7.763 2.306 -1.573
41 H221 H H11 N N N 0 -5.446 2.73 -0.843
42 H292 H H12 N N N 0 0.991 -5.258 -1.095
43 H293 H H13 N N N 0 1.788 -5.602 0.459
44 H291 H H14 N N N 0 0.166 -4.869 0.434
45 H311 H H15 N N N 0 4.778 -2.128 -0.083
46 H091 H H17 N N N 0 -0.957 -0.954 -0.469
47 H161 H H18 N N N 0 -4.893 -2.343 0.718
48 H4 H H19 N N N 0 6.134 1.605 -2.31
49 H131 H H20 N N N 0 -4.169 1.375 2.18
50 H5 H H21 N N N 0 -0.767 4.085 0.498
51 H7 H H23 N N N 0 8.27 1.47 0.011
52 H301 H H24 N N N 0 3.655 -4.209 -0.058