Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : JN8

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 58


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 1.801 -0.504 -0.169
2 C2 C C2 N Y N 0 0.462 -0.961 0.16
3 C3 C C3 N Y N 0 -0.498 -0.002 -0.013
4 S4 S S4 N Y N 0 0.196 1.449 -0.571
5 C5 C C5 N Y N 0 1.814 0.77 -0.579
6 C6 C C6 N N N 0 3.069 1.515 -0.998
7 N7 N N7 N N N 0 4.226 0.69 -0.619
8 C8 C C8 N N N 0 4.165 -0.753 -0.897
9 C9 C C9 N N N 0 3.045 -1.37 -0.055
10 N10 N N10 N N N 0 -1.849 -0.186 0.232
11 C11 C C11 N N N 0 -2.715 0.827 0.029
12 C12 C C12 N N N 0 -4.185 0.627 0.296
13 C13 C C13 N Y N 0 -4.929 1.902 -0.008
14 C14 C C14 N Y N 0 -5.45 2.224 -1.192
15 C15 C C15 N Y N 0 -6.091 3.451 -1.233
16 C16 C C16 N Y N 0 -6.089 4.124 -0.082
17 S17 S S17 N Y N 0 -5.248 3.189 1.148
18 O18 O O18 N N N 0 -2.312 1.899 -0.368
19 C19 C C19 N N N 0 0.168 -2.316 0.631
20 O20 O O20 N N N 0 -0.119 -3.291 -0.255
21 C24 C C24 N N N 0 5.31 1.24 -0.035
22 C27 C C27 N N N 0 -0.4 -4.61 0.283
23 C28 C C28 N N N 0 0.022 -5.704 -0.721
24 N28 N N28 N N N 0 5.389 2.577 0.115
25 C29 C C29 N N N 0 -1.04 -6.814 -0.632
26 O29 O O29 N N N 0 6.215 0.529 0.357
27 C30 C C30 N N N 0 -2.07 -6.356 0.421
28 C31 C C31 N N N 0 -1.926 -4.814 0.448
29 O31 O O31 N N N 0 0.183 -2.563 1.822
30 C32 C C32 N N N 0 6.441 4.702 0.716
31 C33 C C33 N N N 0 6.611 3.183 0.649
32 H6 H H6 N N N 0 3.064 1.67 -2.077
33 H6A H H6A N N N 0 3.115 2.477 -0.487
34 H8 H H8 N N N 0 3.957 -0.913 -1.955
35 H8A H H8A N N N 0 5.116 -1.216 -0.635
36 H9 H H9 N N N 0 3.359 -1.421 0.988
37 H9A H H9A N N N 0 2.825 -2.373 -0.42
38 HN10 H HN10 N N N 0 -2.172 -1.044 0.55
39 H12 H H12 N N N 0 -4.563 -0.175 -0.339
40 H12A H H12A N N N 0 -4.332 0.361 1.343
41 H14 H H14 N N N 0 -5.378 1.578 -2.054
42 H15 H H15 N N N 0 -6.556 3.834 -2.129
43 H16 H H16 N N N 0 -6.539 5.094 0.073
44 H27 H H27 N N N 0 0.111 -4.749 1.235
45 H28 H H28 N N N 0 0.05 -5.293 -1.73
46 H28A H H28A N N N 0 1.001 -6.1 -0.451
47 HN28 H HN28 N N N 0 4.637 3.138 -0.132
48 H29 H H29 N N N 0 -1.527 -6.942 -1.599
49 H29A H H29A N N N 0 -0.576 -7.75 -0.321
50 H30 H H30 N N N 0 -3.078 -6.641 0.119
51 H30A H H30A N N N 0 -1.83 -6.779 1.397
52 H31 H H31 N N N 0 -2.269 -4.411 1.401
53 H31A H H31A N N N 0 -2.469 -4.362 -0.382
54 H32 H H32 N N N 0 7.35 5.152 1.114
55 H32A H H32A N N N 0 6.25 5.09 -0.284
56 H32B H H32B N N N 0 5.6 4.944 1.366
57 H33 H H33 N N N 0 6.802 2.794 1.65
58 H33A H H33A N N N 0 7.452 2.94 -0.001