Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : BXD

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 C10 C C10 N Y N 0 -4.136 3.125 -0.855
2 C11 C C11 N Y N 0 -2.834 2.908 -1.273
3 C13 C C13 N Y N 0 -2.365 1.618 -1.438
4 C14 C C14 N Y N 0 -3.191 0.539 -1.183
5 C16 C C16 N N N 0 -0.947 1.387 -1.894
6 C19 C C19 S N N 0 -0.029 1.292 -0.673
7 C2 C C2 N N N 0 -4.081 -1.967 0.737
8 C21 C C21 S N N 0 1.382 0.93 -1.128
9 C23 C C23 R N N 0 2.261 0.583 0.07
10 C25 C C25 N N N 0 2.55 1.843 0.889
11 C29 C C29 N N N 0 -0.012 2.638 0.056
12 C36 C C36 N N N 0 4.131 -0.854 0.618
13 C39 C C39 N Y N 0 5.427 -1.42 0.097
14 C40 C C40 N Y N 0 6.612 -0.74 0.304
15 C42 C C42 N Y N 0 7.8 -1.26 -0.174
16 C43 C C43 N Y N 0 7.803 -2.46 -0.86
17 C45 C C45 N Y N 0 6.618 -3.141 -1.067
18 C47 C C47 N Y N 0 5.43 -2.623 -0.584
19 C49 C C49 N N N 0 9.092 -0.518 0.052
20 C5 C C5 R N N 0 -4.725 -1.614 -0.605
21 C50 C C50 N N N 0 9.007 0.865 -0.597
22 C54 C C54 N N N 0 9.335 -0.363 1.554
23 C58 C C58 N N N 0 10.247 -1.304 -0.573
24 C68 C C68 N N N 0 -5.809 -2.642 -0.937
25 C72 C C72 N N N 0 -7.802 -3.651 -0.068
26 C75 C C75 N N N 0 -8.736 -3.645 1.144
27 C8 C C8 N Y N 0 -4.497 0.748 -0.77
28 C9 C C9 N Y N 0 -4.972 2.046 -0.602
29 F1 F F1 N N N 0 -5.056 -1.957 1.74
30 F3 F F3 N N N 0 -3.09 -1.027 1.041
31 F4 F F4 N N N 0 -3.507 -3.24 0.658
32 F64 F F64 N N N 0 -4.592 4.387 -0.695
33 H1 H H1 N N N 0 -3.965 -1.622 -1.386
34 H10 H H10 N N N 0 3.006 2.598 0.25
35 H11 H H11 N N N 0 0.422 3.4 -0.591
36 H12 H H12 N N N 0 -1.031 2.919 0.321
37 H13 H H13 N N N 0 4.169 0.738 -0.688
38 H15 H H15 N N N 0 4.326 -0.27 1.518
39 H16 H H16 N N N 0 3.447 -1.668 0.854
40 H17 H H17 N N N 0 6.61 0.198 0.84
41 H18 H H18 N N N 0 8.731 -2.866 -1.234
42 H19 H H19 N N N 0 6.62 -4.078 -1.604
43 H2 H H2 N N N 0 -2.184 3.747 -1.47
44 H20 H H20 N N N 0 4.505 -3.157 -0.742
45 H21 H H21 N N N 0 8.184 1.424 -0.152
46 H22 H H22 N N N 0 9.941 1.401 -0.434
47 H23 H H23 N N N 0 8.833 0.754 -1.668
48 H24 H H24 N N N 0 9.397 -1.348 2.016
49 H25 H H25 N N N 0 10.27 0.174 1.717
50 H26 H H26 N N N 0 8.513 0.197 1.999
51 H27 H H27 N N N 0 10.074 -1.414 -1.644
52 H28 H H28 N N N 0 11.182 -0.767 -0.41
53 H29 H H29 N N N 0 10.309 -2.289 -0.111
54 H3 H H3 N N N 0 -2.819 -0.467 -1.309
55 H30 H H30 N N N 0 2.181 -0.483 -2.339
56 H31 H H31 N N N 0 -6.874 1.508 -0.0040
57 H32 H H32 N N N 0 -6.62 3.168 -0.064
58 H33 H H33 N N N 0 -6.328 -2.341 -1.847
59 H34 H H34 N N N 0 -5.349 -3.619 -1.086
60 H35 H H35 N N N 0 -8.362 -3.372 -0.96
61 H36 H H36 N N N 0 -7.383 -4.649 -0.199
62 H37 H H37 N N N 0 -8.175 -3.924 2.036
63 H38 H H38 N N N 0 -9.154 -2.647 1.275
64 H39 H H39 N N N 0 -9.543 -4.359 0.984
65 H4 H H4 N N N 0 -0.894 0.458 -2.461
66 H5 H H5 N N N 0 -0.628 2.217 -2.524
67 H6 H H6 N N N 0 -0.401 0.52 0.0
68 H7 H H7 N N N 0 1.817 1.777 -1.659
69 H8 H H8 N N N 0 1.747 -0.146 0.696
70 H9 H H9 N N N 0 3.228 1.598 1.707
71 N34 N N34 N N N 0 3.529 0.011 -0.405
72 N65 N N65 N N N 0 -6.291 2.263 -0.18
73 O32 O O32 N N N 0 1.219 3.777 2.097
74 O33 O O33 N N N 0 0.41 1.481 2.393
75 O62 O O62 N N N 0 1.32 -0.194 -2.008
76 O7 O O7 N N N 0 -5.312 -0.313 -0.524
77 O71 O O71 N N N 0 -6.743 -2.715 0.142
78 S28 S S28 N N N 0 0.988 2.48 1.564