Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : NJ7

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 84


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C13 C C1 R N N 0 0.394 0.862 0.536
2 C15 C C2 S N N 0 1.433 -0.085 -0.07
3 C17 C C3 N N N 0 3.861 -0.056 -0.271
4 C20 C C4 R N N 0 6.221 -0.109 -0.622
5 C21 C C5 N N N 0 6.658 1.08 -1.504
6 C24 C C6 R N N 0 8.475 0.704 -0.136
7 C26 C C7 N N N 0 8.492 0.513 2.209
8 C28 C C8 N N N 0 1.092 -1.527 0.312
9 C01 C C9 N Y N 0 -6.51 -1.021 0.098
10 C02 C C10 N Y N 0 -5.338 -1.704 0.365
11 C03 C C11 N Y N 0 -4.238 -1.023 0.852
12 C11 C C15 N N N 0 -2.058 2.876 -0.259
13 C04 C C12 N Y N 0 -4.31 0.34 1.071
14 C05 C C13 N Y N 0 -5.482 1.022 0.805
15 C06 C C14 N Y N 0 -6.582 0.341 0.318
16 C12 C C16 N N N 0 -0.974 0.588 -0.094
17 C23 C C17 S N N 0 7.452 -0.398 0.258
18 C25 C C18 N N N 0 7.123 -0.028 1.727
19 C29 C C19 N Y N 0 2.042 -2.468 -0.384
20 C30 C C20 N Y N 0 1.73 -2.964 -1.635
21 C31 C C21 N Y N 0 2.601 -3.828 -2.273
22 C32 C C22 N Y N 0 3.784 -4.194 -1.66
23 C33 C C23 N Y N 0 4.097 -3.697 -0.408
24 C34 C C24 N Y N 0 3.228 -2.83 0.228
25 C35 C C25 N N N 0 -8.688 -2.043 0.703
26 C36 C C26 N N N 0 -2.918 3.818 -3.89
27 C37 C C27 S N N 0 -2.552 2.683 -1.695
28 C38 C C28 N N N 0 -2.545 4.03 -2.421
29 C39 C C29 N N N 0 -3.975 2.122 -1.674
30 C40 C C30 S N N 0 -7.708 -1.763 -0.439
31 N10 N N1 N N N 0 -1.943 1.571 0.396
32 N16 N N2 N N N 0 2.762 0.256 0.444
33 O08 O O1 N N N 0 -3.391 2.446 2.193
34 O09 O O2 N N N 0 -2.18 0.279 2.486
35 O14 O O3 N N N 0 0.32 0.648 1.947
36 O18 O O4 N N N 0 3.749 -0.62 -1.342
37 O19 O O5 N N N 0 5.082 0.257 0.201
38 O22 O O6 N N N 0 7.682 1.749 -0.74
39 O27 O O7 N N N 0 9.054 1.197 1.079
40 O41 O O8 N N N 0 -8.353 -0.967 -1.436
41 O42 O O9 N N N 0 -9.766 -2.845 0.219
42 S07 S S1 N N N 0 -2.907 1.207 1.692
43 H131 H H1 N N N 0 0.684 1.893 0.339
44 H151 H H2 N N N 0 1.426 0.015 -1.155
45 H201 H H3 N N N 0 5.982 -0.975 -1.239
46 H212 H H4 N N N 0 7.064 0.722 -2.45
47 H211 H H5 N N N 0 5.817 1.75 -1.683
48 H241 H H6 N N N 0 9.234 0.325 -0.821
49 H261 H H7 N N N 0 8.355 1.197 3.046
50 H262 H H8 N N N 0 9.144 -0.311 2.499
51 H282 H H9 N N N 0 1.186 -1.649 1.391
52 H281 H H10 N N N 0 0.07 -1.752 0.008
53 H021 H H11 N N N 0 -5.282 -2.769 0.193
54 H031 H H12 N N N 0 -3.322 -1.556 1.061
55 H051 H H13 N N N 0 -5.538 2.087 0.977
56 H061 H H14 N N N 0 -7.498 0.874 0.109
57 H112 H H15 N N N 0 -1.084 3.364 -0.273
58 H111 H H16 N N N 0 -2.767 3.496 0.288
59 H122 H H17 N N N 0 -0.896 0.664 -1.179
60 H121 H H18 N N N 0 -1.304 -0.415 0.177
61 H231 H H19 N N N 0 7.838 -1.41 0.135
62 H252 H H20 N N N 0 6.826 -0.909 2.296
63 H251 H H21 N N N 0 6.356 0.745 1.775
64 H301 H H22 N N N 0 0.806 -2.678 -2.115
65 H311 H H23 N N N 0 2.357 -4.216 -3.251
66 H321 H H24 N N N 0 4.465 -4.869 -2.158
67 H331 H H25 N N N 0 5.021 -3.984 0.071
68 H341 H H26 N N N 0 3.474 -2.439 1.204
69 H352 H H27 N N N 0 -8.171 -2.572 1.503
70 H351 H H28 N N N 0 -9.079 -1.1 1.085
71 H362 H H29 N N N 0 -2.914 4.778 -4.408
72 H361 H H30 N N N 0 -2.195 3.15 -4.357
73 H363 H H31 N N N 0 -3.913 3.377 -3.952
74 H371 H H32 N N N 0 -1.894 1.987 -2.215
75 H381 H H33 N N N 0 -1.55 4.471 -2.359
76 H382 H H34 N N N 0 -3.269 4.698 -1.955
77 H392 H H35 N N N 0 -4.613 2.772 -1.076
78 H393 H H36 N N N 0 -4.36 2.071 -2.692
79 H391 H H37 N N N 0 -3.965 1.123 -1.239
80 H401 H H38 N N N 0 -7.384 -2.705 -0.879
81 H161 H H39 N N N 0 2.85 0.706 1.299
82 H141 H H40 N N N 0 0.066 -0.251 2.195
83 H411 H H41 N N N 0 -8.667 -0.112 -1.113
84 H421 H H42 N N N 0 -10.427 -3.062 0.89