Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : DVE

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 81


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C3 C C1 N N N 0 3.333 -0.72 1.778
2 C2 C C2 S N N 0 3.447 -0.487 0.27
3 C4 C C3 N N N 0 4.228 -1.646 -0.348
4 C5 C C4 N N N 0 5.602 -1.73 0.325
5 C6 C C5 S N N 0 6.361 -0.417 0.13
6 O8 O O1 N N N 0 7.631 -0.503 0.78
7 C9 C C6 S N N 0 5.561 0.744 0.727
8 C11 C C7 N N N 0 6.319 2.056 0.508
9 C1 C C8 S N N 0 4.202 0.815 0.032
10 C15 C C9 N N N 0 3.353 1.95 0.611
11 C14 C C10 N N N 0 2.107 2.072 -0.262
12 C13 C C11 N N N 0 1.473 0.733 -0.538
13 C12 C C12 N N N 0 2.056 -0.427 -0.32
14 C21 C C13 N N N 0 1.396 -1.768 -0.55
15 C20 C C14 N N N 0 -0.001 -1.686 -1.166
16 C18 C C15 R N N 0 -0.674 -0.472 -0.551
17 C19 C C16 N N N 0 -0.564 -0.477 0.975
18 C16 C C17 R N N 0 0.106 0.745 -1.152
19 C17 C C18 N N N 0 0.179 0.619 -2.675
20 C35 C C19 N N N 0 -0.793 1.917 -0.754
21 C34 C C20 N N N 0 -2.219 1.364 -1.035
22 C22 C C21 R N N 0 -2.11 -0.208 -0.991
23 C24 C C22 R N N 0 -3.075 -0.778 0.05
24 C33 C C23 N N N 0 -2.928 -2.3 0.102
25 C26 C C24 N N N 0 -4.511 -0.417 -0.334
26 C27 C C25 N N N 0 -5.465 -0.878 0.77
27 C28 C C26 N N N 0 -6.88 -0.523 0.391
28 C32 C C27 N N N 0 -7.641 -1.408 -0.204
29 C29 C C28 N N N 0 -7.42 0.85 0.698
30 C31 C C29 N N N 0 -7.369 1.093 2.208
31 C30 C C30 N N N 0 -6.57 1.903 -0.017
32 H1 H H1 N N N 0 2.793 0.109 2.234
33 H2 H H2 N N N 0 2.794 -1.65 1.962
34 H3 H H3 N N N 0 4.331 -0.787 2.212
35 H4 H H4 N N N 0 3.686 -2.578 -0.189
36 H5 H H5 N N N 0 4.355 -1.472 -1.416
37 H6 H H6 N N N 0 5.472 -1.918 1.391
38 H7 H H7 N N N 0 6.172 -2.547 -0.118
39 H8 H H8 N N N 0 6.512 -0.241 -0.935
40 H9 H H9 N N N 0 8.197 -1.212 0.447
41 H10 H H10 N N N 0 5.419 0.579 1.795
42 H11 H H11 N N N 0 6.456 2.222 -0.561
43 H12 H H12 N N N 0 5.748 2.881 0.934
44 H13 H H13 N N N 0 7.292 1.998 0.994
45 H14 H H14 N N N 0 4.347 0.965 -1.038
46 H15 H H15 N N N 0 3.066 1.713 1.635
47 H16 H H16 N N N 0 3.915 2.884 0.588
48 H17 H H17 N N N 0 1.382 2.71 0.244
49 H18 H H18 N N N 0 2.383 2.535 -1.209
50 H19 H H19 N N N 0 2.031 -2.358 -1.211
51 H20 H H20 N N N 0 1.32 -2.286 0.407
52 H21 H H21 N N N 0 0.074 -1.564 -2.247
53 H22 H H22 N N N 0 -0.567 -2.587 -0.931
54 H23 H H23 N N N 0 -0.985 0.446 1.373
55 H24 H H24 N N N 0 -1.112 -1.329 1.376
56 H25 H H25 N N N 0 0.485 -0.551 1.263
57 H26 H H26 N N N 0 -0.822 0.457 -3.074
58 H27 H H27 N N N 0 0.594 1.535 -3.096
59 H28 H H28 N N N 0 0.817 -0.224 -2.939
60 H29 H H29 N N N 0 -0.672 2.156 0.303
61 H30 H H30 N N N 0 -0.586 2.791 -1.372
62 H31 H H31 N N N 0 -2.931 1.711 -0.287
63 H32 H H32 N N N 0 -2.529 1.691 -2.028
64 H33 H H33 N N N 0 -2.321 -0.629 -1.974
65 H34 H H34 N N N 0 -2.844 -0.357 1.029
66 H35 H H35 N N N 0 -3.159 -2.721 -0.876
67 H36 H H36 N N N 0 -1.905 -2.557 0.376
68 H37 H H37 N N N 0 -3.615 -2.706 0.845
69 H38 H H38 N N N 0 -4.594 0.662 -0.458
70 H39 H H39 N N N 0 -4.772 -0.912 -1.27
71 H40 H H40 N N N 0 -5.383 -1.958 0.894
72 H41 H H41 N N N 0 -5.204 -0.384 1.705
73 H43 H H43 N N N 0 -8.655 -1.153 -0.475
74 H44 H H44 N N N 0 -7.254 -2.392 -0.424
75 H46 H H46 N N N 0 -8.451 0.92 0.353
76 H47 H H47 N N N 0 -6.337 1.022 2.552
77 H48 H H48 N N N 0 -7.759 2.086 2.43
78 H49 H H49 N N N 0 -7.974 0.342 2.717
79 H50 H H50 N N N 0 -6.607 1.73 -1.092
80 H51 H H51 N N N 0 -6.961 2.896 0.205
81 H52 H H52 N N N 0 -5.539 1.833 0.328