Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 315

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 59


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 S N N 0 -2.36 -0.959 0.233
2 C2 C C2 S N N 0 -2.45 0.106 1.328
3 C3 C C3 N N N 0 -3.888 0.514 1.515
4 N4 N N4 N N N 0 -4.434 1.448 0.711
5 O5 O O5 N N N 0 -4.555 0.002 2.389
6 N6 N N6 N N N 0 -1.928 -0.441 2.588
7 C8 C C8 N N N 0 -3.084 -2.226 0.694
8 C11 C C11 N N N 0 -3.745 2.142 -0.387
9 C12 C C12 S N N 0 -4.768 3.096 -1.039
10 C13 C C13 N N N 0 -6.131 2.473 -0.635
11 C14 C C14 N N N 0 -5.823 1.938 0.783
12 F21 F F21 N N N 0 -4.62 3.104 -2.43
13 C23 C C23 N N N 0 -3.126 -3.235 -0.456
14 C26 C C26 N N N 0 -3.904 -4.532 -0.228
15 C27 C C27 N N N 0 -2.374 -4.553 -0.266
16 C33 C C33 R N N 0 -0.89 -1.283 -0.043
17 N35 N N35 N N N 0 -0.143 -0.049 -0.374
18 C36 C C36 R N N 0 0.83 -0.423 -1.423
19 N37 N N37 N N N 0 0.616 -1.867 -1.675
20 O38 O O38 N N N 0 -0.771 -2.113 -1.221
21 C39 C C39 N Y N 0 2.236 -0.182 -0.937
22 C40 C C40 N Y N 0 3.255 -1.032 -1.321
23 C41 C C41 N Y N 0 4.545 -0.812 -0.876
24 C42 C C42 N Y N 0 4.817 0.259 -0.045
25 C43 C C43 N Y N 0 3.799 1.111 0.34
26 C44 C C44 N Y N 0 2.508 0.895 -0.11
27 F48 F F48 N N N 0 1.514 1.73 0.262
28 S49 S S49 N N N 0 6.462 0.538 0.523
29 O50 O O50 N N N 0 6.295 1.239 1.748
30 O51 O O51 N N N 0 7.066 -0.748 0.491
31 C52 C C52 N N N 0 7.198 1.618 -0.734
32 H1 H H1 N N N 0 -2.827 -0.584 -0.678
33 H2 H H2 N N N 0 -1.86 0.976 1.038
34 HN6 H HN6 N N N 0 -1.917 0.263 3.31
35 HN6A H HN6A N N N 0 -2.458 -1.249 2.878
36 H8 H H8 N N N 0 -2.552 -2.661 1.54
37 H12 H H12 N N N 0 -4.667 4.104 -0.636
38 H8A H H8A N N N 0 -4.101 -1.974 0.994
39 H11 H H11 N N N 0 -2.904 2.713 0.006
40 H11A H H11A N N N 0 -3.394 1.417 -1.121
41 H13 H H13 N N N 0 -6.914 3.231 -0.608
42 H13A H H13A N N N 0 -6.402 1.658 -1.307
43 H14 H H14 N N N 0 -6.5 1.123 1.037
44 H14A H H14A N N N 0 -5.904 2.742 1.515
45 H23 H H23 N N N 0 -3.145 -2.806 -1.457
46 H26 H H26 N N N 0 -4.386 -4.667 0.741
47 H26A H H26A N N N 0 -4.435 -4.957 -1.08
48 H27 H H27 N N N 0 -1.899 -4.992 -1.143
49 H27A H H27A N N N 0 -1.849 -4.702 0.678
50 H40 H H40 N N N 0 3.044 -1.869 -1.97
51 H41 H H41 N N N 0 5.341 -1.477 -1.176
52 H43 H H43 N N N 0 4.012 1.947 0.99
53 H52 H H52 N N N 0 6.627 2.544 -0.797
54 H52A H H52A N N N 0 8.228 1.844 -0.46
55 H52B H H52B N N N 0 7.181 1.115 -1.701
56 H25 H H25 N N N 0 -0.443 -1.778 0.819
57 H261 H H261 N N N 0 -0.766 0.675 -0.701
58 H271 H H271 N N N 0 0.642 0.149 -2.331
59 H28 H H28 N N N 0 0.72 -2.083 -2.655