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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 |
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