Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : EH3

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 78


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N Y N 0 -3.285 -2.52 0.153
2 N3 N N2 N N N 0 -4.544 0.05 -0.576
3 C4 C C1 N Y N 0 2.251 -4.501 0.189
4 C8 C C5 N Y N 0 -1.221 -1.858 -0.309
5 C5 C C2 N Y N 0 1.182 -3.648 0.022
6 C6 C C3 N Y N 0 -0.112 -4.084 0.319
7 C7 C C4 N Y N 0 -1.258 -3.175 0.143
8 C10 C C6 N Y N 0 -0.046 -1.054 -0.717
9 C13 C C7 N Y N 0 2.146 0.46 -1.478
10 C15 C C8 N Y N 0 0.085 -0.628 -2.039
11 C17 C C9 N N N 0 3.862 2.608 0.004
12 C20 C C10 N N N 0 5.574 1.682 -1.565
13 C3 C C18 N Y N 0 2.046 -5.797 0.651
14 C21 C C11 N N N 0 8.239 3.708 2.14
15 C22 C C12 N N N 0 -3.214 -0.152 -0.66
16 C24 C C13 N N N 0 -6.631 1.311 -0.765
17 C26 C C14 N N N 0 -8.477 1.104 0.906
18 C28 C C15 N N N 0 -8.757 2.583 -1.088
19 C1 C C16 N Y N 0 -0.316 -5.391 0.786
20 C2 C C17 N Y N 0 0.766 -6.239 0.949
21 O1 O O1 N N N 0 -1.57 -5.823 1.077
22 O2 O O2 N N N 0 3.105 -6.633 0.813
23 CL1 CL CL1 N N N 0 3.857 -3.96 -0.187
24 C9 C C19 N Y N 0 -2.639 -1.464 -0.28
25 O3 O O3 N Y N 0 -2.552 -3.449 0.384
26 C11 C C20 N Y N 0 0.93 -0.716 0.221
27 C12 C C21 N Y N 0 2.02 0.038 -0.161
28 C14 C C22 N Y N 0 1.18 0.121 -2.415
29 O4 O O4 N N N 0 3.224 1.198 -1.852
30 C16 C C23 N N N 0 4.239 1.409 -0.869
31 C18 C C24 N N N 0 4.935 2.81 1.079
32 N2 N N3 N N N 0 6.244 2.929 0.423
33 C19 C C25 N N N 0 6.667 1.874 -0.508
34 S1 S S1 N N N 0 7.226 4.228 0.728
35 O5 O O5 N N N 0 6.33 5.262 1.111
36 O6 O O6 N N N 0 8.024 4.346 -0.442
37 O7 O O7 N N N 0 -2.487 0.741 -1.047
38 C23 C C26 N N N 0 -5.113 1.346 -0.952
39 C25 C C27 N N N 0 -6.959 1.14 0.719
40 C27 C C28 N N N 0 -9.085 2.413 0.397
41 C29 C C29 N N N 0 -7.239 2.619 -1.275
42 C30 C C30 N N N 0 -8.51 3.569 1.174
43 O8 O O8 N N N 0 -8.901 4.823 0.898
44 O9 O O9 N N N 0 -7.698 3.367 2.046
45 H1 H H1 N N N 0 -5.125 -0.663 -0.267
46 H2 H H2 N N N 0 1.344 -2.642 -0.337
47 H6 H H6 N N N 0 5.831 0.838 -2.204
48 H3 H H3 N N N 0 -0.671 -0.884 -2.767
49 H4 H H4 N N N 0 3.795 3.503 -0.616
50 H5 H H5 N N N 0 2.9 2.424 0.481
51 H7 H H7 N N N 0 5.491 2.585 -2.17
52 H8 H H8 N N N 0 8.811 2.82 1.87
53 H9 H H9 N N N 0 8.923 4.511 2.412
54 H10 H H10 N N N 0 7.592 3.479 2.987
55 H11 H H11 N N N 0 -7.047 0.474 -1.328
56 H12 H H12 N N N 0 -8.893 0.268 0.343
57 H13 H H13 N N N 0 -8.71 0.982 1.964
58 H14 H H14 N N N 0 -9.173 1.747 -1.65
59 H15 H H15 N N N 0 -9.19 3.516 -1.451
60 H16 H H16 N N N 0 0.612 -7.246 1.308
61 H17 H H17 N N N 0 -2.029 -6.23 0.33
62 H18 H H18 N N N 0 3.508 -6.593 1.691
63 H19 H H19 N N N 0 0.832 -1.044 1.245
64 H20 H H20 N N N 0 2.774 0.303 0.565
65 H21 H H21 N N N 0 1.281 0.452 -3.438
66 H22 H H22 N N N 0 4.33 0.52 -0.244
67 H23 H H23 N N N 0 4.723 3.72 1.64
68 H24 H H24 N N N 0 4.939 1.956 1.756
69 H25 H H25 N N N 0 6.814 0.942 0.038
70 H26 H H26 N N N 0 7.598 2.166 -0.993
71 H27 H H27 N N N 0 -4.688 2.126 -0.32
72 H28 H H28 N N N 0 -4.88 1.557 -1.996
73 H29 H H29 N N N 0 -6.526 0.207 1.082
74 H30 H H30 N N N 0 -6.543 1.976 1.282
75 H31 H H31 N N N 0 -10.166 2.387 0.53
76 H32 H H32 N N N 0 -6.824 3.455 -0.712
77 H33 H H33 N N N 0 -7.006 2.741 -2.332
78 H34 H H34 N N N 0 -8.504 5.532 1.423