Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : KS7

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 66


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C4 C C1 N N N 0 9.451 0.883 -1.311
2 C5 C C2 N Y N 0 5.822 0.909 -0.818
3 C6 C C3 N Y N 0 4.859 0.086 -0.24
4 N1 N N1 N N N 0 0.028 0.203 0.353
5 C7 C C4 N Y N 0 3.43 0.485 -0.261
6 C8 C C5 N Y N 0 1.322 0.512 0.009
7 N2 N N2 N N N 0 -5.02 0.269 -0.639
8 C9 C C6 N N N 0 -0.9 1.256 -0.084
9 C10 C C7 N N N 0 -2.333 0.839 0.248
10 C11 C C8 N N N 0 -3.3 1.949 -0.171
11 C12 C C9 N N N 0 -4.736 1.5 0.109
12 N3 N N3 N Y N 0 -8.985 -0.811 -0.261
13 C13 C C10 N Y N 0 -6.357 -0.095 -0.512
14 C14 C C11 N Y N 0 -6.851 -1.237 -1.142
15 C15 C C12 N Y N 0 -8.182 -1.563 -0.99
16 N4 N N4 N N N 0 -2.452 0.604 1.693
17 C21 C C13 N N N 0 -2.234 1.844 2.448
18 C20 C C14 N N N 0 -2.681 -0.445 -0.509
19 C19 C C15 N N N 0 -4.135 -0.825 -0.219
20 C18 C C16 N Y N 0 -7.239 0.673 0.249
21 C17 C C17 N Y N 0 -8.556 0.278 0.351
22 O2 O O1 N Y N 0 1.735 1.61 -0.641
23 C16 C C18 N N N 0 -8.728 -2.795 -1.666
24 C22 C C19 N N N 0 -1.525 -0.449 2.13
25 C23 C C20 N N N 0 -0.09 -0.031 1.799
26 N N N5 N Y N 0 2.938 1.577 -0.787
27 N5 N N6 N Y N 0 2.396 -0.214 0.254
28 C3 C C21 N Y N 0 7.155 0.531 -0.801
29 O1 O O2 N N N 0 8.096 1.334 -1.365
30 C2 C C22 N Y N 0 7.531 -0.666 -0.209
31 C24 C C23 N Y N 0 5.24 -1.113 0.359
32 C1 C C24 N Y N 0 6.574 -1.488 0.368
33 O O O3 N N N 0 6.946 -2.66 0.947
34 C C C25 N N N 0 8.338 -2.981 0.925
35 H1 H H1 N N N 0 9.753 0.764 -0.271
36 H2 H H2 N N N 0 9.536 -0.074 -1.826
37 H3 H H3 N N N 0 10.097 1.615 -1.796
38 H4 H H4 N N N 0 5.53 1.839 -1.283
39 H5 H H5 N N N 0 -0.663 2.187 0.431
40 H6 H H6 N N N 0 -0.803 1.401 -1.16
41 H7 H H7 N N N 0 -3.084 2.853 0.398
42 H8 H H8 N N N 0 -3.182 2.152 -1.235
43 H9 H H9 N N N 0 -5.429 2.282 -0.203
44 H10 H H10 N N N 0 -4.857 1.313 1.176
45 H11 H H11 N N N 0 -6.2 -1.857 -1.74
46 H13 H H13 N N N 0 -2.976 2.585 2.153
47 H14 H H14 N N N 0 -2.328 1.642 3.515
48 H15 H H15 N N N 0 -1.235 2.227 2.238
49 H16 H H16 N N N 0 -2.553 -0.283 -1.579
50 H17 H H17 N N N 0 -2.022 -1.25 -0.182
51 H18 H H18 N N N 0 -4.258 -1.002 0.849
52 H19 H H19 N N N 0 -4.39 -1.73 -0.769
53 H20 H H20 N N N 0 -6.894 1.564 0.752
54 H21 H H21 N N N 0 -9.245 0.866 0.938
55 H22 H H22 N N N 0 -9.091 -2.534 -2.66
56 H23 H H23 N N N 0 -7.939 -3.542 -1.752
57 H24 H H24 N N N 0 -9.549 -3.2 -1.074
58 H25 H H25 N N N 0 -1.622 -0.596 3.206
59 H26 H H26 N N N 0 -1.761 -1.38 1.613
60 H27 H H27 N N N 0 0.597 -0.823 2.096
61 H28 H H28 N N N 0 0.155 0.885 2.337
62 H29 H H29 N N N 0 8.571 -0.958 -0.197
63 H30 H H30 N N N 0 4.496 -1.753 0.808
64 H31 H H31 N N N 0 8.68 -3.043 -0.108
65 H32 H H32 N N N 0 8.898 -2.206 1.448
66 H33 H H33 N N N 0 8.497 -3.94 1.419