Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : M1I

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 C4 C C1 N Y N 0 -1.248 -0.342 -0.134
2 C5 C C2 N Y N 0 -0.514 -0.376 1.05
3 C6 C C3 N Y N 0 0.813 -0.772 1.026
4 C7 C C4 N Y N 0 1.408 -1.134 -0.175
5 C8 C C5 N Y N 0 0.68 -1.1 -1.349
6 C15 C C6 N N N 0 3.401 0.413 -1.473
7 C17 C C7 N N N 0 -2.67 0.082 -0.115
8 C20 C C8 N N N 0 -5.285 0.902 -0.071
9 C22 C C9 N N N 0 -2.999 1.361 0.229
10 C24 C C10 N N N 0 -4.625 3.135 0.622
11 C28 C C11 N N N 0 0.857 -0.421 3.377
12 C1 C C12 N N N 0 3.252 -2.73 0.716
13 C11 C C13 N N N 0 4.082 0.237 0.843
14 C12 C C14 N N N 0 5.167 1.291 0.603
15 C14 C C15 N N N 0 4.486 1.466 -1.713
16 C16 C C16 N N N 0 5.717 3.274 -0.673
17 C18 C C17 N N N 0 -3.687 -0.834 -0.46
18 C19 C C18 N N N 0 -4.985 -0.423 -0.437
19 C2 C C19 N N N 0 2.851 -1.57 -0.197
20 C25 C C20 N N N 0 -6.092 -1.38 -0.799
21 C27 C C21 N N N 0 -3.341 -2.248 -0.849
22 C3 C C22 N N N 0 3.164 -2.943 -0.796
23 C9 C C23 N Y N 0 -0.641 -0.701 -1.336
24 N10 N N1 N N N 0 3.833 -0.499 -0.405
25 N13 N N2 N N N 0 4.734 2.202 -0.465
26 N21 N N3 N N N 0 -4.296 1.757 0.249
27 O23 O O1 N N N 0 -6.445 1.278 -0.047
28 O26 O O2 N N N 0 1.532 -0.807 2.178
29 H33 H H1 N N N 0 -0.978 -0.093 1.983
30 H34 H H2 N N N 0 1.148 -1.383 -2.281
31 H44 H H3 N N N 0 2.475 0.906 -1.178
32 H43 H H4 N N N 0 3.236 -0.154 -2.39
33 H48 H H5 N N N 0 -2.221 2.063 0.489
34 H49 H H6 N N N 0 -4.635 3.761 -0.271
35 H50 H H7 N N N 0 -5.608 3.159 1.093
36 H51 H H8 N N N 0 -3.878 3.511 1.321
37 H58 H H9 N N N 0 0.506 0.607 3.281
38 H59 H H10 N N N 0 0.006 -1.082 3.543
39 H60 H H11 N N N 0 1.543 -0.494 4.22
40 H30 H H12 N N N 0 4.246 -2.698 1.163
41 H29 H H13 N N N 0 2.473 -3.177 1.334
42 H37 H H14 N N N 0 4.413 -0.457 1.615
43 H36 H H15 N N N 0 3.163 0.728 1.165
44 H39 H H16 N N N 0 5.332 1.857 1.52
45 H38 H H17 N N N 0 6.093 0.798 0.308
46 H41 H H18 N N N 0 5.404 0.975 -2.034
47 H42 H H19 N N N 0 4.155 2.16 -2.485
48 H47 H H20 N N N 0 6.676 2.838 -0.952
49 H45 H H21 N N N 0 5.372 3.934 -1.469
50 H46 H H22 N N N 0 5.832 3.845 0.248
51 H53 H H23 N N N 0 -6.432 -1.898 0.097
52 H54 H H24 N N N 0 -6.923 -0.825 -1.236
53 H52 H H25 N N N 0 -5.721 -2.107 -1.521
54 H57 H H26 N N N 0 -3.331 -2.877 0.041
55 H55 H H27 N N N 0 -4.085 -2.624 -1.551
56 H56 H H28 N N N 0 -2.357 -2.265 -1.318
57 H31 H H29 N N N 0 4.1 -3.051 -1.344
58 H32 H H30 N N N 0 2.327 -3.53 -1.174
59 H35 H H31 N N N 0 -1.208 -0.676 -2.255