Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : NCL

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 79


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O39 O O39 N N N 0 5.718 -0.506 1.122
2 C9 C C9 N N N 0 5.84 -0.051 0.004
3 C10 C C10 N N N 0 7.172 0.49 -0.448
4 C13 C C13 N N N 0 8.191 0.349 0.685
5 N16 N N16 N N N 0 9.489 0.877 0.245
6 C18 C C18 N N N 0 10.425 0.978 1.372
7 C27 C C27 R N N 0 11.712 1.665 0.907
8 C20 C C20 N N N 0 11.387 3.074 0.408
9 C30 C C30 N N N 0 12.337 0.851 -0.229
10 C33 C C33 N N N 0 11.324 0.72 -1.37
11 C36 C C36 N N N 0 10.049 0.06 -0.839
12 N7 N N7 N N N 0 4.787 -0.036 -0.836
13 C6 C C6 N Y N 0 3.585 -0.638 -0.46
14 C4 C C4 N Y N 0 2.402 -0.089 -0.879
15 C3 C C3 N Y N 0 1.184 -0.69 -0.504
16 N1 N N1 N Y N 0 0.022 -0.177 -0.898
17 C40 C C40 N Y N 0 3.617 -1.792 0.335
18 C42 C C42 N Y N 0 2.477 -2.414 0.726
19 C44 C C44 N Y N 0 1.227 -1.895 0.332
20 C45 C C45 N Y N 0 0.033 -2.509 0.718
21 C2 C C2 N Y N 0 -1.166 -1.939 0.283
22 C47 C C47 N Y N 0 -2.411 -2.502 0.632
23 C49 C C49 N Y N 0 -3.556 -1.923 0.193
24 C87 C C87 N Y N 0 -1.135 -0.734 -0.551
25 C85 C C85 N Y N 0 -2.357 -0.178 -0.976
26 C51 C C51 N Y N 0 -3.535 -0.771 -0.604
27 N52 N N52 N N N 0 -4.743 -0.214 -1.03
28 C54 C C54 N N N 0 -5.814 -0.222 -0.212
29 O84 O O84 N N N 0 -5.754 -0.785 0.86
30 C55 C C55 N N N 0 -7.085 0.471 -0.629
31 C58 C C58 N N N 0 -8.137 0.313 0.471
32 N61 N N61 N N N 0 -9.377 0.988 0.064
33 C63 C C63 N N N 0 -10.323 1.07 1.184
34 C66 C C66 R N N 0 -11.537 1.903 0.767
35 C77 C C77 N N N 0 -12.533 1.969 1.927
36 H10 H H10 N N N 0 7.516 -0.069 -1.317
37 C69 C C69 N N N 0 -12.207 1.249 -0.445
38 C72 C C72 N N N 0 -11.186 1.132 -1.58
39 C75 C C75 N N N 0 -9.982 0.321 -1.095
40 H10A H H10A N N N 0 7.066 1.543 -0.711
41 H13 H H13 N N N 0 7.847 0.909 1.555
42 H13A H H13A N N N 0 8.297 -0.703 0.949
43 H18 H H18 N N N 0 9.97 1.563 2.171
44 H18A H H18A N N N 0 10.659 -0.021 1.74
45 H27 H H27 N N N 0 12.413 1.725 1.74
46 H20 H H20 N N N 0 10.939 3.652 1.216
47 H20A H H20A N N N 0 12.304 3.562 0.077
48 H20B H H20B N N N 0 10.688 3.012 -0.426
49 H30 H H30 N N N 0 13.231 1.359 -0.592
50 H30A H H30A N N N 0 12.606 -0.14 0.137
51 H33 H H33 N N N 0 11.087 1.709 -1.761
52 H33A H H33A N N N 0 11.749 0.106 -2.164
53 H36 H H36 N N N 0 10.285 -0.934 -0.46
54 H36A H H36A N N N 0 9.32 -0.022 -1.646
55 HN7 H HN7 N N N 0 4.864 0.393 -1.703
56 H4 H H4 N N N 0 2.402 0.799 -1.494
57 H40 H H40 N N N 0 4.57 -2.195 0.641
58 H42 H H42 N N N 0 2.526 -3.303 1.338
59 H45 H H45 N N N 0 0.037 -3.397 1.332
60 H47 H H47 N N N 0 -2.452 -3.39 1.245
61 H55 H H55 N N N 0 -6.886 1.53 -0.792
62 H49 H H49 N N N 0 -4.506 -2.36 0.464
63 H85 H H85 N N N 0 -2.366 0.71 -1.59
64 HN52 H HN52 N N N 0 -4.811 0.178 -1.914
65 H63 H H63 N N N 0 -10.648 0.066 1.459
66 H55A H H55A N N N 0 -7.456 0.024 -1.552
67 H58 H H58 N N N 0 -8.336 -0.746 0.634
68 H58A H H58A N N N 0 -7.766 0.759 1.394
69 H63A H H63A N N N 0 -9.836 1.54 2.038
70 H66 H H66 N N N 0 -11.215 2.911 0.506
71 H77 H H77 N N N 0 -12.055 2.431 2.79
72 H77A H H77A N N N 0 -13.398 2.563 1.63
73 H77B H H77B N N N 0 -12.856 0.961 2.187
74 H69 H H69 N N N 0 -12.564 0.256 -0.172
75 H69A H H69A N N N 0 -13.047 1.862 -0.772
76 H72 H H72 N N N 0 -11.645 0.629 -2.431
77 H72A H H72A N N N 0 -10.858 2.128 -1.879
78 H75A H H75A N N N 0 -10.309 -0.679 -0.81
79 H75 H H75 N N N 0 -9.247 0.248 -1.897