Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 85H

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 N1 N N1 N Y N 0 0.163 -1.614 0.627
2 C7 C C1 N Y N 0 3.646 0.396 -1.256
3 C8 C C2 N Y N 0 2.606 1.301 -1.354
4 C9 C C3 N Y N 0 2.859 2.607 -1.727
5 C1 C C4 N Y N 0 6.011 -1.334 1.825
6 C5 C C5 N Y N 0 6.197 -3.217 0.356
7 C6 C C6 N N N 0 3.368 -1.03 -0.854
8 C4 C C7 N Y N 0 5.141 -2.736 -0.394
9 C3 C C8 N Y N 0 4.52 -1.554 -0.035
10 C2 C C9 N Y N 0 4.955 -0.853 1.074
11 CL1 CL CL1 N N N 0 4.473 4.65 -2.473
12 C10 C C10 N Y N 0 4.154 3.009 -2.004
13 C11 C C11 N Y N 0 5.194 2.102 -1.906
14 C12 C C12 N Y N 0 4.94 0.797 -1.532
15 C C C13 N Y N 0 6.632 -2.516 1.467
16 CL CL CL2 N N N 0 7.959 -3.12 2.41
17 N N N2 N Y N 1 2.139 -1.083 -0.059
18 C13 C C14 N Y N 0 1.902 -0.37 1.052
19 C14 C C15 N Y N 0 0.671 -0.688 1.497
20 C30 C C16 N Y N 0 1.102 -1.83 -0.32
21 C15 C C17 N N N 0 -1.151 -2.256 0.71
22 C16 C C18 R N N 0 -2.177 -1.42 -0.058
23 C24 C C19 N Y N 0 -3.5 -2.141 -0.077
24 C25 C C20 N Y N 0 -4.463 -1.842 0.869
25 C26 C C21 N Y N 0 -5.677 -2.503 0.853
26 C27 C C22 N Y N 0 -5.929 -3.464 -0.11
27 CL4 CL CL3 N N N 0 -7.453 -4.294 -0.13
28 C28 C C23 N Y N 0 -4.965 -3.763 -1.057
29 C29 C C24 N Y N 0 -3.753 -3.098 -1.044
30 CL5 CL CL4 N N N 0 -2.546 -3.467 -2.236
31 O O O1 N N N 0 -2.334 -0.152 0.582
32 C17 C C25 N N N 0 -2.679 0.91 -0.308
33 C18 C C26 N Y N 0 -2.819 2.193 0.47
34 C19 C C27 N Y N 0 -2.615 2.198 1.837
35 C20 C C28 N Y N 0 -2.742 3.374 2.552
36 C21 C C29 N Y N 0 -3.074 4.548 1.899
37 CL2 CL CL5 N N N 0 -3.234 6.025 2.797
38 CL3 CL CL6 N N N 0 -3.401 3.362 -1.902
39 C22 C C30 N Y N 0 -3.279 4.544 0.531
40 C23 C C31 N Y N 0 -3.145 3.368 -0.185
41 H1 H H1 N N N 0 1.595 0.988 -1.138
42 H2 H H2 N N N 0 2.046 3.315 -1.804
43 H3 H H3 N N N 0 6.353 -0.783 2.689
44 H4 H H4 N N N 0 6.683 -4.14 0.076
45 H5 H H5 N N N 0 3.249 -1.643 -1.748
46 H6 H H6 N N N 0 4.8 -3.283 -1.261
47 H7 H H7 N N N 0 4.469 0.07 1.353
48 H8 H H8 N N N 0 6.205 2.415 -2.122
49 H9 H H9 N N N 0 5.752 0.089 -1.455
50 H10 H H10 N N N 0 2.58 0.335 1.511
51 H11 H H11 N N N 0 0.18 -0.288 2.371
52 H12 H H12 N N N 0 1.01 -2.51 -1.154
53 H13 H H13 N N N 0 -1.096 -3.254 0.275
54 H14 H H14 N N N 0 -1.453 -2.331 1.755
55 H15 H H15 N N N 0 -1.83 -1.27 -1.081
56 H16 H H16 N N N 0 -4.266 -1.092 1.62
57 H17 H H17 N N N 0 -6.428 -2.269 1.592
58 H18 H H18 N N N 0 -5.161 -4.513 -1.809
59 H19 H H19 N N N 0 -1.897 1.024 -1.059
60 H20 H H20 N N N 0 -3.624 0.679 -0.8
61 H21 H H21 N N N 0 -2.356 1.281 2.347
62 H22 H H22 N N N 0 -2.582 3.377 3.62
63 H23 H H23 N N N 0 -3.538 5.46 0.021