Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 67F

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 O42 O O1 N N N 0 3.857 1.648 -2.825
2 C41 C C1 N N N 0 4.564 0.715 -3.141
3 C43 C C2 N N N 0 4.291 -0.038 -4.418
4 N40 N N1 N N N 0 5.597 0.355 -2.354
5 C31 C C3 R N N 0 5.866 1.09 -1.116
6 C32 C C4 R N N 0 7.343 0.939 -0.741
7 O39 O O2 N N N 0 8.157 1.53 -1.757
8 C33 C C5 S N N 0 7.595 1.646 0.594
9 O38 O O3 N N N 0 8.954 1.45 0.989
10 C34 C C6 R N N 0 6.663 1.06 1.657
11 C36 C C7 N N N 0 6.866 1.802 2.979
12 O37 O O4 N N N 0 6.082 1.181 4.0
13 O35 O O5 N N N 0 5.306 1.206 1.232
14 C30 C C8 R N N 0 5.0 0.525 0.013
15 N29 N N2 N N N 0 3.585 0.719 -0.313
16 C27 C C9 N N N 0 2.676 -0.206 0.054
17 S28 S S1 N N N 0 3.176 -1.607 0.901
18 N26 N N3 N N N 0 1.375 -0.028 -0.245
19 C25 C C10 N N N 0 0.387 -1.034 0.154
20 C24 C C11 N N N 0 -1.005 -0.592 -0.304
21 N16 N N4 N N N 0 -2.015 -1.481 0.275
22 C17 C C12 S N N 0 -2.304 -2.771 -0.356
23 C21 C C13 N N N 0 -2.414 -2.584 -1.871
24 C23 C C14 N N N 0 -3.15 -1.277 -2.171
25 C22 C C15 N N N 0 -1.013 -2.533 -2.482
26 C18 C C16 N N N 0 -1.191 -3.741 -0.049
27 O20 O O6 N N N 0 -1.195 -4.963 -0.603
28 O19 O O7 N N N 0 -0.296 -3.417 0.695
29 S13 S S2 N N N 0 -2.83 -1.028 1.643
30 O14 O O8 N N N 0 -3.284 -2.227 2.256
31 O15 O O9 N N N 0 -2.004 -0.08 2.307
32 C10 C C17 N Y N 0 -4.271 -0.156 1.127
33 C09 C C18 N Y N 0 -4.22 1.214 0.944
34 C08 C C19 N Y N 0 -5.346 1.902 0.539
35 C11 C C20 N Y N 0 -5.449 -0.845 0.901
36 C12 C C21 N Y N 0 -6.581 -0.167 0.496
37 C07 C C22 N Y N 0 -6.536 1.214 0.315
38 C01 C C23 N Y N 0 -7.75 1.948 -0.12
39 C06 C C24 N Y N 0 -8.941 1.259 -0.344
40 C05 C C25 N Y N 0 -10.067 1.947 -0.748
41 C04 C C26 N Y N 0 -10.015 3.317 -0.93
42 C03 C C27 N Y N 0 -8.836 4.006 -0.709
43 C02 C C28 N Y N 0 -7.705 3.329 -0.3
44 H1 H H1 N N N 0 4.844 0.422 -5.237
45 H2 H H2 N N N 0 4.608 -1.075 -4.303
46 H3 H H3 N N N 0 3.224 -0.007 -4.637
47 H4 H H4 N N N 0 6.162 -0.392 -2.608
48 H5 H H5 N N N 0 5.633 2.145 -1.262
49 H6 H H6 N N N 0 7.588 -0.119 -0.646
50 H7 H H7 N N N 0 9.107 1.476 -1.58
51 H8 H H8 N N N 0 7.397 2.713 0.484
52 H9 H H9 N N N 0 9.184 1.872 1.829
53 H10 H H10 N N N 0 6.888 0.002 1.795
54 H11 H H11 N N N 0 7.919 1.767 3.258
55 H12 H H12 N N N 0 6.555 2.841 2.864
56 H13 H H13 N N N 0 6.162 1.6 4.867
57 H14 H H14 N N N 0 5.204 -0.539 0.13
58 H15 H H15 N N N 0 3.302 1.513 -0.793
59 H16 H H16 N N N 0 1.092 0.766 -0.725
60 H17 H H17 N N N 0 0.635 -1.99 -0.307
61 H18 H H18 N N N 0 0.395 -1.14 1.239
62 H19 H H19 N N N 0 -1.188 0.431 0.026
63 H20 H H20 N N N 0 -1.061 -0.638 -1.392
64 H21 H H21 N N N 0 -3.244 -3.162 0.032
65 H22 H H22 N N N 0 -2.968 -3.42 -2.3
66 H23 H H23 N N N 0 -2.829 -0.509 -1.467
67 H24 H H24 N N N 0 -2.921 -0.956 -3.187
68 H25 H H25 N N N 0 -4.224 -1.434 -2.073
69 H26 H H26 N N N 0 -0.741 -3.522 -2.852
70 H27 H H27 N N N 0 -1.002 -1.82 -3.307
71 H28 H H28 N N N 0 -0.296 -2.22 -1.722
72 H29 H H29 N N N 0 -0.461 -5.55 -0.377
73 H30 H H30 N N N 0 -3.296 1.747 1.119
74 H31 H H31 N N N 0 -5.304 2.972 0.397
75 H32 H H32 N N N 0 -5.483 -1.915 1.041
76 H33 H H33 N N N 0 -7.5 -0.706 0.32
77 H34 H H34 N N N 0 -8.982 0.189 -0.203
78 H35 H H35 N N N 0 -10.99 1.415 -0.922
79 H36 H H36 N N N 0 -10.899 3.852 -1.247
80 H37 H H37 N N N 0 -8.803 5.076 -0.849
81 H38 H H38 N N N 0 -6.785 3.867 -0.127