Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 77I

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 86


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C1 N N N 0 8.783 -1.74 2.533
2 C13 C C2 N Y N 0 7.661 -0.243 1.065
3 C15 C C3 N Y N 0 5.332 0.162 1.462
4 C17 C C4 N Y N 0 5.298 1.023 0.373
5 C20 C C5 N Y N 0 -1.318 -5.575 1.226
6 C21 C C6 N Y N 0 -1.575 -5.364 -0.123
7 C22 C C7 N Y N 0 -0.932 -4.35 -0.799
8 C24 C C8 N Y N 0 -3.373 -0.607 -2.586
9 C26 C C9 N Y N 0 -3.311 -0.364 -0.191
10 C28 C C10 N Y N 0 -1.323 -0.983 -1.39
11 C01 C C11 N N N 0 4.482 3.938 0.835
12 C05 C C15 N N N 0 -11.085 2.792 -0.212
13 C02 C C12 N N N 0 -10.16 1.366 2.134
14 C03 C C13 N N N 0 -11.657 1.574 1.89
15 C04 C C14 N N N 0 -11.866 2.87 1.103
16 C06 C C16 N N N 0 -9.605 2.549 0.093
17 C07 C C17 N N N 0 -8.041 0.96 1.037
18 C08 C C18 N N N 0 -7.403 0.653 -0.319
19 C09 C C19 N N N 0 -5.927 0.303 -0.12
20 C11 C C20 N Y N 0 6.451 1.254 -0.365
21 C12 C C21 N Y N 0 7.628 0.617 -0.023
22 C14 C C22 N Y N 0 6.511 -0.469 1.806
23 C16 C C23 N N N 0 3.559 2.718 0.879
24 C18 C C24 N Y N 0 0.235 -3.748 1.233
25 C19 C C25 N Y N 0 -0.413 -4.765 1.9
26 C23 C C26 N Y N 0 -2.036 -0.939 -2.592
27 C25 C C27 N Y N 0 -4.013 -0.317 -1.388
28 C27 C C28 N Y N 0 -1.974 -0.699 -0.186
29 C29 C C29 N Y N 0 -0.02 -3.532 -0.124
30 C30 C C30 S N N 0 2.172 -2.335 -1.122
31 C31 C C31 N N N 0 0.67 -2.446 -0.842
32 C32 C C32 N N N 0 2.68 -1.206 -0.172
33 C33 C C33 N N N 0 0.106 -1.342 -1.391
34 C34 C C34 S N N 0 1.257 -0.545 -2.011
35 C35 C C35 R N N 0 2.034 0.057 -0.8
36 F01 F F1 N N N 0 5.747 3.582 1.314
37 F02 F F2 N N N 0 4.593 4.39 -0.485
38 F03 F F3 N N N 0 3.949 4.955 1.633
39 N01 N N1 N N N 0 -9.458 1.297 0.846
40 N02 N N2 N N N 0 4.103 1.662 0.022
41 O01 O O1 N N N 0 4.289 0.555 -2.137
42 O02 O O2 N N N 0 2.708 2.43 -1.817
43 O03 O O3 N N N 0 8.821 -0.869 1.401
44 O04 O O4 N N N 0 -5.331 0.015 -1.387
45 O05 O O5 N N N 0 -1.959 -6.573 1.889
46 O06 O O6 N N N 0 2.157 -1.633 -2.411
47 S01 S S1 N N N 0 3.305 1.224 -1.361
48 H1 H H1 N N N 0 9.77 -2.174 2.691
49 H2 H H2 N N N 0 8.488 -1.176 3.417
50 H3 H H3 N N N 0 8.061 -2.537 2.353
51 H4 H H4 N N N 0 4.435 -0.018 2.036
52 H5 H H5 N N N 0 -2.279 -5.997 -0.643
53 H6 H H6 N N N 0 -1.132 -4.187 -1.847
54 H10 H H10 N N N 0 -10.007 0.436 2.682
55 H7 H H7 N N N 0 -3.924 -0.569 -3.514
56 H8 H H8 N N N 0 -3.812 -0.136 0.738
57 H9 H H9 N N N 0 -9.769 2.2 2.717
58 H11 H H11 N N N 0 -12.052 0.734 1.319
59 H12 H H12 N N N 0 -12.176 1.64 2.846
60 H13 H H13 N N N 0 -12.927 3.0 0.889
61 H14 H H14 N N N 0 -11.507 3.715 1.691
62 H15 H H15 N N N 0 -11.471 1.971 -0.816
63 H16 H H16 N N N 0 -11.196 3.729 -0.758
64 H17 H H17 N N N 0 -9.049 2.478 -0.841
65 H18 H H18 N N N 0 -9.216 3.377 0.686
66 H19 H H19 N N N 0 -7.959 0.087 1.684
67 H20 H H20 N N N 0 -7.526 1.803 1.498
68 H21 H H21 N N N 0 -7.918 -0.19 -0.78
69 H22 H H22 N N N 0 -7.485 1.526 -0.966
70 H23 H H23 N N N 0 -5.412 1.145 0.341
71 H24 H H24 N N N 0 -5.845 -0.571 0.526
72 H25 H H25 N N N 0 6.426 1.923 -1.212
73 H26 H H26 N N N 0 8.524 0.79 -0.602
74 H27 H H27 N N N 0 6.538 -1.138 2.653
75 H28 H H28 N N N 0 3.488 2.354 1.904
76 H29 H H29 N N N 0 2.568 3.0 0.524
77 H30 H H30 N N N 0 0.938 -3.119 1.758
78 H31 H H31 N N N 0 -0.217 -4.933 2.949
79 H32 H H32 N N N 0 -1.539 -1.165 -3.524
80 H33 H H33 N N N 0 -1.428 -0.731 0.745
81 H34 H H34 N N N 0 2.737 -3.266 -1.093
82 H36 H H36 N N N 0 2.321 -1.363 0.845
83 H37 H H37 N N N 0 3.768 -1.14 -0.194
84 H39 H H39 N N N 0 0.974 0.164 -2.789
85 H40 H H40 N N N 0 1.351 0.535 -0.098
86 H42 H H42 N N N 0 -2.797 -6.305 2.289