Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : C03

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 62


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 -3.797 -12.053 -0.936
2 C2 C C2 N Y N 0 -5.119 -12.511 -0.873
3 C3 C C3 N Y N 0 -6.105 -11.871 -1.651
4 C4 C C4 N Y N 0 -5.73 -10.798 -2.462
5 C5 C C5 N Y N 0 -4.413 -10.33 -2.535
6 C6 C C6 N Y N 0 -3.452 -10.98 -1.755
7 C10 C C10 N N N 0 -7.503 -12.063 -1.831
8 C11 C C11 N N N 0 -7.942 -11.119 -2.731
9 N12 N N12 N N N 0 -6.865 -10.361 -3.106
10 C13 C C13 N N N 0 -8.294 -13.079 -1.169
11 C14 C C14 N N N 0 -9.297 -10.87 -3.269
12 C18 C C18 N N N 0 -6.913 -9.256 -4.041
13 O19 O O19 N N N 0 -2.157 -10.556 -1.798
14 C20 C C20 N N N 0 -1.557 -10.105 -0.59
15 F21 F F21 N N N 0 -2.477 -9.564 0.238
16 F22 F F22 N N N 0 -0.65 -9.148 -0.887
17 F23 F F23 N N N 0 -0.91 -11.111 0.038
18 C24 C C24 N Y N 0 -7.19 -7.954 -3.339
19 C27 C C27 N Y N 0 -7.356 -7.98 -1.959
20 C28 C C28 N Y N 0 -7.615 -6.793 -1.274
21 C29 C C29 N Y N 0 -7.706 -5.589 -1.973
22 C30 C C30 N Y N 0 -7.538 -5.573 -3.358
23 C31 C C31 N Y N 0 -7.279 -6.76 -4.043
24 CL1 CL CL1 N N N 0 -7.079 -6.7 -5.756
25 O36 O O36 N N N 0 -7.779 -6.809 0.077
26 C37 C C37 N N N 0 -8.322 -7.997 0.652
27 C38 C C38 N N N 0 -9.082 -7.606 1.907
28 C42 C C42 N N N 0 -7.181 -8.94 0.971
29 O44 O O44 N N N 0 -5.996 -8.685 0.799
30 O45 O O45 N N N 0 -7.615 -10.113 1.499
31 N46 N N46 N N N 0 -8.894 -12.872 0.0070
32 O47 O O47 N N N 0 -9.543 -14.066 0.301
33 C48 C C48 N Y N 0 -9.319 -14.96 -0.7
34 C49 C C49 N Y N 0 -8.523 -14.375 -1.669
35 C50 C C50 N Y N 0 -9.804 -16.263 -0.765
36 C51 C C51 N Y N 0 -9.44 -16.997 -1.899
37 C52 C C52 N Y N 0 -8.637 -16.44 -2.899
38 C53 C C53 N Y N 0 -8.166 -15.123 -2.8
39 O57 O O57 N N N 0 -9.879 -18.282 -2.03
40 C58 C C58 N N N 0 -10.694 -18.797 -0.98
41 H1 H H1 N N N 0 -3.037 -12.547 -0.335
42 H2 H H2 N N N 0 -5.369 -13.35 -0.231
43 H5 H H5 N N N 0 -4.143 -9.495 -3.174
44 H141 H 1H14 N N N 0 -9.566 -11.624 -4.025
45 H142 H 2H14 N N N 0 -10.064 -10.896 -2.478
46 H143 H 3H14 N N N 0 -9.375 -9.876 -3.74
47 H181 H 1H18 N N N 0 -7.683 -9.474 -4.791
48 H182 H 2H18 N N N 0 -5.957 -9.221 -4.578
49 H27 H H27 N N N 0 -7.286 -8.916 -1.41
50 H29 H H29 N N N 0 -7.907 -4.662 -1.444
51 H30 H H30 N N N 0 -7.613 -4.626 -3.887
52 H37 H H37 N N N 0 -8.985 -8.458 -0.087
53 H381 H 1H38 N N N 0 -8.649 -8.088 2.792
54 H382 H 2H38 N N N 0 -10.124 -7.936 1.844
55 H383 H 3H38 N N N 0 -9.068 -6.524 2.07
56 HO45 H HO45 N N N 0 -6.909 -10.751 1.736
57 H50 H H50 N N N 0 -10.425 -16.683 0.017
58 H52 H H52 N N N 0 -8.368 -17.032 -3.771
59 H53 H H53 N N N 0 -7.542 -14.705 -3.585
60 H581 H 1H58 N N N 0 -11.678 -19.06 -1.377
61 H582 H 2H58 N N N 0 -10.796 -18.044 -0.194
62 H583 H 3H58 N N N 0 -10.22 -19.69 -0.567