Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : CM7

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 C01 C C01 N N N 0 28.029 -3.713 34.022
2 C02 C C02 N N N 0 29.517 -4.101 34.084
3 C03 C C03 N Y N 0 30.188 -3.472 35.327
4 C04 C C04 N Y N 0 30.703 -4.196 36.476
5 N05 N N05 N Y N 0 31.179 -3.21 37.348
6 C06 C C06 N N N 0 31.834 -3.752 38.596
7 C07 C C07 N N N 0 31.867 -3.021 39.948
8 S08 S S08 N N N 0 31.438 -1.232 39.779
9 O09 O O09 N N N 0 31.87 -0.515 41.008
10 O10 O O10 N N N 0 29.997 -1.253 39.678
11 N11 N N11 N N N 0 32.054 -0.468 38.571
12 C12 C C12 N N N 0 33.464 -0.032 38.578
13 C13 C C13 N Y N 0 31.446 -0.526 37.234
14 C14 C C14 N Y N 0 31.14 0.618 36.438
15 C15 C C15 N Y N 0 30.506 0.427 35.195
16 C16 C C16 N Y N 0 30.107 -0.892 34.676
17 C17 C C17 N Y N 0 30.409 -2.059 35.523
18 C18 C C18 N Y N 0 31.059 -1.873 36.773
19 C19 C C19 N N N 0 30.272 1.693 34.43
20 O20 O O20 N N N 0 31.198 2.444 34.244
21 N21 N N21 N N N 0 29.083 1.702 33.642
22 C22 C C22 S N N 0 28.893 2.629 32.537
23 C23 C C23 N N N 0 28.185 1.793 31.429
24 C24 C C24 N Y N 0 28.913 0.447 31.166
25 C25 C C25 N Y N 0 30.365 0.381 31.03
26 C26 C C26 N Y N 0 30.994 -0.89 30.782
27 C27 C C27 N Y N 0 30.157 -2.092 30.666
28 C28 C C28 N Y N 0 28.719 -2.033 30.799
29 C29 C C29 N Y N 0 28.088 -0.755 31.042
30 C30 C C30 R N N 0 27.981 3.761 33.052
31 O31 O O31 N N N 0 27.643 4.605 31.933
32 C32 C C32 N N N 0 28.737 4.658 34.076
33 N33 N N33 N N N 0 27.831 5.788 34.449
34 C34 C C34 N N N 0 28.555 6.954 35.021
35 C38 C C38 N Y N 0 31.645 8.572 32.239
36 C35 C C35 N Y N 0 29.634 7.507 34.057
37 C36 C C36 N Y N 0 31.042 7.493 34.438
38 C37 C C37 N Y N 0 32.043 8.017 33.525
39 C39 C C39 N Y N 0 30.248 8.569 31.865
40 C40 C C40 N Y N 0 29.239 8.048 32.767
41 C41 C C41 N N N 0 29.793 9.13 30.518
42 F42 F F42 N N N 0 28.777 10.005 30.668
43 F43 F F43 N N N 0 29.342 8.114 29.759
44 F44 F F44 N N N 0 30.814 9.748 29.891
45 H011 H 1H01 N N N 0 27.631 -3.62 35.043
46 H012 H 2H01 N N N 0 27.923 -2.751 33.499
47 H013 H 3H01 N N N 0 27.47 -4.49 33.48
48 H021 H 1H02 N N N 0 29.602 -5.196 34.143
49 H022 H 2H02 N N N 0 30.021 -3.729 33.18
50 H04 H H04 N N N 0 30.716 -5.266 36.625
51 H061 H 1H06 N N N 0 31.308 -4.696 38.801
52 H062 H 2H06 N N N 0 32.896 -3.723 38.311
53 H071 H 1H07 N N N 0 31.138 -3.495 40.622
54 H072 H 2H07 N N N 0 32.889 -3.09 40.348
55 H121 H 1H12 N N N 0 33.82 0.076 37.543
56 H122 H 2H12 N N N 0 33.546 0.934 39.097
57 H123 H 3H12 N N N 0 34.077 -0.782 39.099
58 H14 H H14 N N N 0 31.39 1.611 36.782
59 H16 H H16 N N N 0 29.616 -0.999 33.72
60 H21 H H21 N N N 0 28.356 1.05 33.856
61 H22 H H22 N N N 0 29.821 3.075 32.149
62 H231 H 1H23 N N N 0 27.156 1.579 31.753
63 H232 H 2H23 N N N 0 28.199 2.378 30.497
64 H30 H H30 N N N 0 27.096 3.312 33.527
65 H25 H H25 N N N 0 30.962 1.277 31.115
66 H29 H H29 N N N 0 27.014 -0.688 31.132
67 H26 H H26 N N N 0 32.067 -0.959 30.683
68 H27 H H27 N N N 0 30.629 -3.045 30.476
69 H28 H H28 N N N 0 28.124 -2.931 30.718
70 H31 H H31 N N N 0 27.569 5.506 32.226
71 H321 H 1H32 N N N 0 28.997 4.073 34.97
72 H322 H 2H32 N N N 0 29.669 5.043 33.635
73 H33 H H33 N N N 0 27.352 6.09 33.625
74 H341 H 1H34 N N N 0 27.826 7.752 35.225
75 H342 H 2H34 N N N 0 29.061 6.62 35.939
76 H36 H H36 N N N 0 31.34 7.094 35.396
77 H40 H H40 N N N 0 28.198 8.062 32.481
78 H37 H H37 N N N 0 33.087 7.995 33.801
79 H38 H H38 N N N 0 32.387 8.983 31.57