Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 90P

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 68


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C4 C C1 N Y N 0 1.043 0.98 0.095
2 C5 C C2 N Y N 0 -0.608 -0.644 0.142
3 C6 C C3 N N N 0 -2.967 0.047 0.296
4 N1 N N1 N Y N 0 -0.238 0.629 0.158
5 C7 C C4 N N N 0 -4.221 -0.527 0.962
6 C8 C C5 N N N 0 -5.311 0.547 0.998
7 N2 N N2 N N N 0 -1.94 -0.994 0.207
8 C9 C C6 N N N 0 -6.754 1.911 -0.387
9 C10 C C7 N N N 0 -4.44 1.579 -1.015
10 C11 C C8 N N N 0 -3.325 0.536 -1.11
11 C12 C C9 N Y N 0 0.4 -1.636 0.067
12 N3 N N3 N N N 0 -5.617 0.981 -0.371
13 C13 C C10 N Y N 0 0.092 -3.002 0.055
14 C14 C C11 N Y N 0 1.099 -3.921 -0.029
15 C15 C C12 N N N 0 -0.584 -5.601 0.038
16 N4 N N4 N N N 0 1.363 2.327 0.116
17 C16 C C13 N N N 0 0.3 3.331 0.206
18 C17 C C14 N N N 0 2.764 2.747 0.049
19 C22 C C15 N N N 0 2.976 3.621 -1.19
20 C21 C C16 N N N 0 4.439 4.06 -1.26
21 C20 C C17 N N N 0 4.793 4.861 -0.005
22 C19 C C18 N N N 0 4.582 3.987 1.233
23 C18 C C19 N N N 0 3.118 3.548 1.304
24 N N N5 N Y N 0 2.021 0.099 0.019
25 C3 C C20 N Y N 0 1.751 -1.216 0.002
26 C2 C C21 N Y N 0 2.767 -2.176 -0.079
27 O1 O O1 N N N 0 0.798 -5.248 -0.04
28 C C C23 N N N 0 4.767 -3.969 -0.235
29 C1 C C22 N Y N 0 2.438 -3.513 -0.094
30 O O O2 N N N 0 3.422 -4.447 -0.172
31 H1 H H1 N N N 0 -2.591 0.881 0.887
32 H2 H H2 N N N 0 -4.576 -1.386 0.391
33 H3 H H3 N N N 0 -3.983 -0.838 1.979
34 H4 H H4 N N N 0 -6.21 0.137 1.458
35 H5 H H5 N N N 0 -4.961 1.4 1.579
36 H6 H H6 N N N 0 -2.197 -1.929 0.195
37 H7 H H7 N N N 0 -6.556 2.739 0.294
38 H8 H H8 N N N 0 -6.895 2.296 -1.397
39 H10 H H10 N N N 0 -4.095 2.427 -0.423
40 H11 H H11 N N N 0 -4.707 1.919 -2.015
41 H12 H H12 N N N 0 -2.446 0.984 -1.574
42 H13 H H13 N N N 0 -3.665 -0.306 -1.713
43 H15 H H15 N N N 0 -0.937 -3.327 0.105
44 H16 H H16 N N N 0 -1.007 -5.213 0.965
45 H17 H H17 N N N 0 -1.117 -5.173 -0.811
46 H18 H H18 N N N 0 -0.684 -6.686 0.02
47 H19 H H19 N N N 0 0.095 3.55 1.254
48 H20 H H20 N N N 0 0.618 4.242 -0.301
49 H21 H H21 N N N 0 -0.603 2.948 -0.269
50 H22 H H22 N N N 0 3.405 1.868 -0.014
51 H23 H H23 N N N 0 2.724 3.05 -2.084
52 H24 H H24 N N N 0 2.335 4.5 -1.128
53 H25 H H25 N N N 0 5.08 3.181 -1.323
54 H26 H H26 N N N 0 4.59 4.682 -2.143
55 H27 H H27 N N N 0 5.836 5.174 -0.056
56 H28 H H28 N N N 0 4.152 5.74 0.057
57 H29 H H29 N N N 0 5.222 3.108 1.171
58 H30 H H30 N N N 0 4.833 4.558 2.127
59 H31 H H31 N N N 0 2.477 4.427 1.366
60 H32 H H32 N N N 0 2.967 2.926 2.186
61 H33 H H33 N N N 0 3.802 -1.87 -0.129
62 H34 H H34 N N N 0 4.888 -3.341 -1.118
63 H35 H H35 N N N 0 4.987 -3.385 0.659
64 H36 H H36 N N N 0 5.451 -4.815 -0.294
65 C23 C C24 N N N 0 -8.02 1.176 0.059
66 H9 H H9 N N N 0 -7.879 0.79 1.069
67 H14 H H14 N N N 0 -8.864 1.866 0.048
68 H37 H H37 N N N 0 -8.218 0.348 -0.621