Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : CLR

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 74


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 1.3 -1.004 -4.518
2 C2 C C2 N N N 0 1.651 -0.336 -5.85
3 C3 C C3 S N N 0 0.368 0.011 -6.606
4 C4 C C4 N N N 0 -0.434 1.041 -5.806
5 C5 C C5 N N N 0 -0.671 0.485 -4.412
6 C6 C C6 N N N 0 -1.887 0.476 -3.951
7 C7 C C7 N N N 0 -2.243 -0.054 -2.593
8 C8 C C8 S N N 0 -1.026 0.068 -1.67
9 C9 C C9 S N N 0 0.164 -0.655 -2.313
10 C10 C C10 R N N 0 0.516 -0.018 -3.647
11 C11 C C11 N N N 0 1.395 -0.674 -1.41
12 C12 C C12 N N N 0 1.072 -1.238 -0.018
13 C13 C C13 R N N 0 -0.084 -0.43 0.572
14 C14 C C14 S N N 0 -1.32 -0.619 -0.349
15 C15 C C15 N N N 0 -2.437 0.005 0.494
16 C16 C C16 N N N 0 -2.12 -0.507 1.925
17 C17 C C17 R N N 0 -0.607 -0.839 1.946
18 C18 C C18 N N N 0 0.266 1.058 0.566
19 C19 C C19 N N N 0 1.426 1.172 -3.34
20 C20 C C20 R N N 0 0.095 -0.036 3.041
21 C21 C C21 N N N 0 1.597 -0.326 3.002
22 C22 C C22 N N N 0 -0.465 -0.436 4.407
23 C23 C C23 N N N 0 0.238 0.366 5.503
24 C24 C C24 N N N 0 -0.323 -0.034 6.869
25 C25 C C25 N N N 0 0.38 0.768 7.965
26 C26 C C26 N N N 0 -0.18 0.368 9.331
27 C27 C C27 N N N 0 1.882 0.478 7.926
28 O1 O O1 N N N 0 0.702 0.556 -7.885
29 H11 H 1H1 N N N 0 0.692 -1.889 -4.705
30 H12 H 2H1 N N N 0 2.217 -1.294 -4.005
31 H21 H 1H2 N N N 0 2.253 -1.017 -6.45
32 H22 H 2H2 N N N 0 2.218 0.575 -5.66
33 H3 H H3 N N N 0 -0.229 -0.89 -6.741
34 H41 H 1H4 N N N 0 -1.39 1.223 -6.296
35 H42 H 2H4 N N N 0 0.128 1.972 -5.739
36 H6 H H6 N N N 0 -2.677 0.868 -4.574
37 H71 H 1H7 N N N 0 -2.533 -1.102 -2.676
38 H72 H 2H7 N N N 0 -3.071 0.522 -2.182
39 H8 H H8 N N N 0 -0.784 1.117 -1.503
40 H9 H H9 N N N 0 -0.144 -1.684 -2.495
41 H111 H 1H11 N N N 0 2.165 -1.291 -1.873
42 H112 H 2H11 N N N 0 1.772 0.342 -1.303
43 H121 H 1H12 N N N 0 0.736 -2.271 -0.105
44 H122 H 2H12 N N N 0 1.955 -1.186 0.617
45 H14 H H14 N N N 0 -1.515 -1.679 -0.509
46 H151 H 1H15 N N N 0 -3.413 -0.348 0.164
47 H152 H 2H15 N N N 0 -2.386 1.094 0.454
48 H161 H 1H16 N N N 0 -2.703 -1.404 2.138
49 H162 H 2H16 N N N 0 -2.344 0.266 2.658
50 H17 H H17 N N N 0 -0.457 -1.907 2.105
51 H181 H 1H18 N N N 0 0.546 1.361 -0.442
52 H182 H 2H18 N N N 0 -0.598 1.636 0.893
53 H183 H 3H18 N N N 0 1.1 1.238 1.245
54 H191 H 1H19 N N N 0 1.618 1.728 -4.258
55 H192 H 2H19 N N N 0 0.938 1.824 -2.616
56 H193 H 3H19 N N N 0 2.369 0.812 -2.928
57 H20 H H20 N N N 0 -0.073 1.028 2.877
58 H211 H 1H21 N N N 0 1.766 -1.39 3.166
59 H212 H 2H21 N N N 0 1.997 -0.04 2.029
60 H213 H 3H21 N N N 0 2.098 0.245 3.783
61 H232 H 2H23 N N N 0 1.307 0.159 5.475
62 H221 H 1H22 N N N 0 -0.296 -1.501 4.572
63 H222 H 2H22 N N N 0 -1.535 -0.23 4.435
64 H231 H 1H23 N N N 0 0.069 1.43 5.339
65 H241 H 1H24 N N N 0 -0.154 -1.098 7.033
66 H242 H 2H24 N N N 0 -1.393 0.172 6.897
67 H25 H H25 N N N 0 0.211 1.833 7.801
68 H261 H 1H26 N N N 0 0.32 0.94 10.112
69 H262 H 2H26 N N N 0 -1.25 0.575 9.359
70 H263 H 3H26 N N N 0 -0.012 -0.696 9.495
71 H271 H 1H27 N N N 0 2.05 -0.585 8.09
72 H1 H H1 N N N 0 -0.132 0.76 -8.328
73 H272 H 2H27 N N N 0 2.281 0.764 6.953
74 H273 H 3H27 N N N 0 2.383 1.05 8.706