Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 2XI

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 63


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C1 N Y N 0 -0.224 3.077 2.366
2 N12 N N1 N Y N 0 -1.029 2.832 0.174
3 C13 C C2 N Y N 0 -0.329 1.727 0.007
4 C15 C C3 N Y N 0 -0.99 -0.844 0.145
5 C17 C C4 N Y N 0 -3.181 -0.205 0.88
6 C20 C C5 N N N 0 -5.409 1.432 -0.334
7 C21 C C6 N N N 0 -5.988 -0.965 0.066
8 C22 C C7 N N N 0 -5.343 -0.202 -2.224
9 C24 C C8 N Y N 0 -1.459 -0.944 -1.158
10 C26 C C9 R N N 0 2.225 -2.701 0.763
11 C01 C C10 N N N 0 3.529 1.715 -2.455
12 C02 C C11 N N N 0 4.229 1.342 -1.147
13 C03 C C12 N N N 0 5.033 0.057 -1.348
14 C04 C C13 N N N 0 5.171 2.474 -0.732
15 C06 C C14 N N N 0 2.285 0.179 -0.249
16 C07 C C15 R N N 0 1.254 -0.036 0.828
17 C08 C C16 N Y N 0 0.461 1.23 1.026
18 C09 C C17 N Y N 0 0.523 1.916 2.229
19 C11 C C18 N Y N 0 -0.998 3.508 1.306
20 C16 C C19 N Y N 0 -1.857 -0.476 1.165
21 C18 C C20 N Y N 0 -3.646 -0.31 -0.418
22 C19 C C21 N N N 0 -5.091 -0.012 -0.726
23 C23 C C22 N Y N 0 -2.785 -0.676 -1.436
24 C25 C C23 N N N 0 0.814 -2.383 0.34
25 C27 C C24 N N N 0 2.318 -2.676 2.29
26 N05 N N2 N N N 0 3.226 1.133 -0.1
27 N14 N N3 N N N 0 0.352 -1.12 0.431
28 O28 O O1 N N N 0 2.585 -3.999 0.285
29 O29 O O2 N N N 0 0.094 -3.263 -0.081
30 O30 O O3 N N N 0 2.268 -0.505 -1.25
31 H1 H H1 N N N 0 -0.203 3.634 3.291
32 H2 H H2 N N N 0 -0.38 1.201 -0.935
33 H3 H H3 N N N 0 -3.856 0.082 1.673
34 H4 H H4 N N N 0 -5.23 1.567 0.732
35 H5 H H5 N N N 0 -4.77 2.111 -0.899
36 H6 H H6 N N N 0 -6.454 1.647 -0.557
37 H7 H H7 N N N 0 -7.033 -0.75 -0.156
38 H8 H H8 N N N 0 -5.761 -1.994 -0.213
39 H9 H H9 N N N 0 -5.808 -0.83 1.133
40 H10 H H10 N N N 0 -4.704 0.477 -2.788
41 H11 H H11 N N N 0 -5.116 -1.231 -2.503
42 H12 H H12 N N N 0 -6.388 0.013 -2.446
43 H13 H H13 N N N 0 -0.786 -1.23 -1.954
44 H14 H H14 N N N 0 2.905 -1.958 0.345
45 H15 H H15 N N N 0 4.275 1.872 -3.235
46 H16 H H16 N N N 0 2.858 0.909 -2.751
47 H20 H H20 N N N 0 4.362 -0.75 -1.644
48 H17 H H17 N N N 0 2.956 2.632 -2.312
49 H18 H H18 N N N 0 5.779 0.213 -2.127
50 H19 H H19 N N N 0 5.532 -0.209 -0.416
51 H21 H H21 N N N 0 4.597 3.39 -0.589
52 H22 H H22 N N N 0 5.669 2.208 0.2
53 H23 H H23 N N N 0 5.917 2.63 -1.511
54 H24 H H24 N N N 0 1.752 -0.302 1.761
55 H25 H H25 N N N 0 1.137 1.555 3.041
56 H26 H H26 N N N 0 -1.586 4.409 1.406
57 H27 H H27 N N N 0 -1.497 -0.402 2.181
58 H28 H H28 N N N 0 -3.151 -0.757 -2.449
59 H29 H H29 N N N 0 3.358 -2.801 2.593
60 H30 H H30 N N N 0 1.944 -1.722 2.661
61 H31 H H31 N N N 0 1.719 -3.487 2.704
62 H32 H H32 N N N 0 3.24 1.679 0.701
63 H33 H H33 N N N 0 3.482 -4.27 0.521