Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : BEG

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 87


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C01 C C01 N Y N 0 0.511 -4.264 1.382
2 C02 C C02 N Y N 0 -0.384 -4.971 2.164
3 C03 C C03 N Y N 0 0.067 -5.679 3.262
4 C04 C C04 N Y N 0 1.412 -5.681 3.579
5 C05 C C05 N Y N 0 2.307 -4.975 2.797
6 C06 C C06 N Y N 0 1.857 -4.27 1.696
7 C07 C C07 N Y N 0 -1.105 3.508 2.064
8 C08 C C08 N Y N 0 -0.657 4.688 2.626
9 C09 C C09 N Y N 0 -1.233 5.162 3.79
10 C10 C C10 N Y N 0 -2.259 4.456 4.39
11 C11 C C11 N Y N 0 -2.708 3.276 3.827
12 C12 C C12 N Y N 0 -2.134 2.804 2.661
13 C13 C C13 N N N 0 -0.477 2.991 0.795
14 O14 O O14 N N N 0 0.623 2.138 1.121
15 C23 C C23 N N N 0 0.019 -3.493 0.185
16 O22 O O22 N N N 0 -0.318 -2.162 0.582
17 C15 C C15 R N N 0 1.196 1.712 -0.116
18 C16 C C16 N N N 0 0.926 0.219 -0.315
19 C17 C C17 R N N 0 -0.577 -0.01 -0.488
20 O24 O O24 N N N 0 -1.02 0.625 -1.689
21 C18 C C18 R N N 0 -0.858 -1.511 -0.571
22 C19 C C19 N N N 0 -2.346 -1.741 -0.625
23 O20 O O20 N N N 0 -2.904 -2.319 0.283
24 N21 N N21 N N N 0 -3.057 -1.305 -1.684
25 C25 C C25 N N N 0 2.683 1.955 -0.091
26 O26 O O26 N N N 0 3.214 2.36 0.921
27 N27 N N27 N N N 0 3.422 1.722 -1.194
28 C28 C C28 S N N 0 4.868 1.958 -1.17
29 C29 C C29 N Y N 0 5.594 0.722 -0.684
30 C30 C C30 N Y N 0 6.701 0.489 -1.482
31 C31 C C31 N Y N 0 5.31 -0.133 0.366
32 C32 C C32 N Y N 0 6.128 -1.215 0.623
33 C33 C C33 N Y N 0 7.235 -1.448 -0.172
34 C34 C C34 R N N 0 5.394 2.203 -2.6
35 O35 O O35 N N N 0 4.562 1.557 -3.565
36 C36 C C36 N Y N 0 7.52 -0.597 -1.222
37 C37 C C37 N N N 0 6.794 1.554 -2.553
38 C38 C C38 S N N 0 -4.504 -1.528 -1.737
39 C39 C C39 N Y N 0 -5.236 -0.395 -1.052
40 C40 C C40 N Y N 0 -6.322 -0.01 -1.819
41 C41 C C41 N Y N 0 -4.974 0.252 0.143
42 C42 C C42 N Y N 0 -5.793 1.277 0.574
43 C43 C C43 N Y N 0 -6.879 1.661 -0.191
44 C44 C C44 R N N 0 -4.996 -1.504 -3.2
45 O45 O O45 N N N 0 -4.137 -0.7 -4.012
46 C46 C C46 N Y N 0 -7.142 1.018 -1.385
47 C47 C C47 N N N 0 -6.393 -0.861 -3.069
48 H021 H 1H02 N N N 0 -1.435 -4.97 1.917
49 H031 H 1H03 N N N 0 -0.632 -6.231 3.873
50 H041 H 1H04 N N N 0 1.764 -6.233 4.437
51 H051 H 1H05 N N N 0 3.358 -4.976 3.044
52 H061 H 1H06 N N N 0 2.556 -3.719 1.085
53 H081 H 1H08 N N N 0 0.144 5.239 2.157
54 H091 H 1H09 N N N 0 -0.882 6.084 4.23
55 H101 H 1H10 N N N 0 -2.709 4.826 5.3
56 H111 H 1H11 N N N 0 -3.509 2.724 4.297
57 H121 H 1H12 N N N 0 -2.485 1.883 2.221
58 H131 H 1H13 N N N 0 -0.121 3.83 0.198
59 H132 H 2H13 N N N 0 -1.217 2.428 0.226
60 H231 H 1H23 N N N 0 -0.863 -3.983 -0.227
61 H232 H 2H23 N N N 0 0.803 -3.459 -0.572
62 H151 H 1H15 N N N 0 0.749 2.274 -0.936
63 H161 H 1H16 N N N 0 1.28 -0.333 0.555
64 H162 H 2H16 N N N 0 1.451 -0.13 -1.205
65 H171 H 1H17 N N N 0 -1.108 0.413 0.365
66 H241 H 1H24 N N N 0 -0.526 0.223 -2.416
67 H181 H 1H18 N N N 0 -0.394 -1.919 -1.469
68 H211 H 1H21 N N N 0 -2.611 -0.843 -2.411
69 H271 H 1H27 N N N 0 2.997 1.398 -2.003
70 H281 H 1H28 N N N 0 5.101 2.81 -0.53
71 H311 H 1H31 N N N 0 4.446 0.048 0.987
72 H321 H 1H32 N N N 0 5.903 -1.88 1.444
73 H331 H 1H33 N N N 0 7.876 -2.294 0.027
74 H341 H 1H34 N N N 0 5.469 3.271 -2.808
75 H351 H 1H35 N N N 0 4.942 1.747 -4.434
76 H361 H 1H36 N N N 0 8.385 -0.779 -1.843
77 H371 H 1H37 N N N 0 7.033 1.102 -3.516
78 H372 H 2H37 N N N 0 7.546 2.296 -2.285
79 H381 H 1H38 N N N 0 -4.756 -2.48 -1.269
80 H411 H 1H41 N N N 0 -4.126 -0.047 0.741
81 H421 H 1H42 N N N 0 -5.585 1.779 1.507
82 H431 H 1H43 N N N 0 -7.52 2.462 0.144
83 H472 H 2H47 N N N 0 -7.155 -1.632 -2.958
84 H441 H 1H44 N N N 0 -5.071 -2.515 -3.601
85 H451 H 1H45 N N N 0 -4.496 -0.726 -4.909
86 H461 H 1H46 N N N 0 -7.99 1.318 -1.982
87 H471 H 1H47 N N N 0 -6.606 -0.239 -3.938