Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : FD2

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 67


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C65 C C65 N Y N 0 1.042 0.973 -3.394
2 C66 C C66 N Y N 0 1.744 -0.213 -3.43
3 C64 C C64 N Y N 0 0.203 1.316 -4.44
4 C63 C C63 N Y N 0 0.06 0.47 -5.524
5 C62 C C62 N Y N 0 0.753 -0.722 -5.569
6 C61 C C61 N Y N 0 1.599 -1.073 -4.518
7 C25 C C25 N N N 0 2.345 -2.352 -4.559
8 N43 N N43 N N N 0 2.204 -3.197 -5.638
9 N54 N N54 N N N 0 3.135 -2.677 -3.576
10 C34 C C34 N N N 0 1.192 1.901 -2.216
11 C31 C C31 S N N 0 0.146 1.553 -1.155
12 C35 C C35 N N N 0 0.381 2.39 0.075
13 O36 O O36 N N N 0 -0.276 3.393 0.26
14 N81 N N81 N N N 0 1.32 2.026 0.969
15 C71 C C71 N N N 0 2.145 0.83 0.744
16 C72 C C72 N N N 0 2.044 -0.076 1.974
17 C74 C C74 N N N 0 1.446 1.886 3.402
18 C75 C C75 N N N 0 1.54 2.816 2.188
19 C40 C C40 N N N 0 2.422 0.721 3.224
20 C48 C C48 N N N 0 2.357 -0.177 4.432
21 O49 O O49 N N N 0 2.04 -1.336 4.306
22 O55 O O55 N N N 0 2.651 0.31 5.648
23 C99 C C99 N N N 0 2.589 -0.555 6.812
24 N29 N N29 N N N 0 -1.192 1.823 -1.683
25 S12 S S12 N N N 0 -2.298 0.597 -1.803
26 O32 O O32 N N N 0 -3.522 1.216 -2.175
27 O33 O O33 N N N 0 -1.648 -0.439 -2.525
28 C2 C C2 N Y N 0 -2.558 -0.039 -0.181
29 C3 C C3 N Y N 0 -3.559 0.508 0.618
30 C4 C C4 N Y N 0 -3.786 0.039 1.876
31 C9 C C9 N Y N 0 -1.982 -1.568 1.565
32 C10 C C10 N Y N 0 -3.0 -1.011 2.379
33 C1 C C1 N Y N 0 -1.781 -1.061 0.269
34 C5 C C5 N Y N 0 -3.205 -1.522 3.671
35 C6 C C6 N Y N 0 -2.424 -2.541 4.124
36 C7 C C7 N Y N 0 -1.423 -3.088 3.324
37 C8 C C8 N Y N 0 -1.196 -2.619 2.067
38 H661 H 1H66 N N N 0 2.399 -0.479 -2.613
39 H641 H 1H64 N N N 0 -0.341 2.248 -4.409
40 H631 H 1H63 N N N 0 -0.595 0.743 -6.338
41 H621 H 1H62 N N N 0 0.639 -1.383 -6.416
42 H431 H 1H43 N N N 0 2.692 -4.035 -5.665
43 H432 H 2H43 N N N 0 1.615 -2.955 -6.37
44 H541 H 1H54 N N N 0 3.624 -3.514 -3.603
45 H341 H 1H34 N N N 0 1.048 2.931 -2.544
46 H342 H 2H34 N N N 0 2.191 1.791 -1.792
47 H311 H 1H31 N N N 0 0.229 0.497 -0.897
48 H711 H 1H71 N N N 0 3.183 1.126 0.592
49 H712 H 2H71 N N N 0 1.782 0.297 -0.134
50 H721 H 1H72 N N N 0 2.725 -0.919 1.861
51 H722 H 2H72 N N N 0 1.022 -0.444 2.072
52 H741 H 1H74 N N N 0 0.43 1.5 3.487
53 H742 H 2H74 N N N 0 1.702 2.44 4.305
54 H751 H 1H75 N N N 0 2.529 3.273 2.154
55 H752 H 2H75 N N N 0 0.778 3.592 2.263
56 H401 H 1H40 N N N 0 3.435 1.109 3.114
57 H991 H 1H99 N N N 0 2.858 0.012 7.702
58 H992 H 2H99 N N N 0 1.576 -0.944 6.922
59 H993 H 3H99 N N N 0 3.284 -1.385 6.685
60 H291 H 1H29 N N N 0 -1.431 2.721 -1.961
61 H31 H 1H3 N N N 0 -4.164 1.316 0.235
62 H41 H 1H4 N N N 0 -4.565 0.474 2.485
63 H11 H 1H1 N N N 0 -1.012 -1.479 -0.363
64 H81 H 1H8 N N N 0 -0.416 -3.053 1.458
65 H51 H 1H5 N N N 0 -3.977 -1.107 4.303
66 H61 H 1H6 N N N 0 -2.583 -2.931 5.119
67 H71 H 1H7 N N N 0 -0.818 -3.896 3.708