Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : B2B

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 100


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 -11.773 -2.447 1.195
2 O1 O O1 N N N 0 -11.07 -3.173 2.086
3 C2 C C2 N N N 0 -11.199 -1.209 0.635
4 O2 O O2 N N N 0 -12.878 -2.814 0.85
5 C3 C C3 N N N 0 -10.255 -1.278 -0.319
6 O3 O O3 N N N 0 -8.878 -2.663 -1.791
7 C4 C C4 N N N 0 -9.873 -2.586 -0.886
8 O4 O O4 N N N 0 -6.134 1.417 -0.663
9 C5 C C5 N N N 0 -11.67 0.133 1.132
10 O5 O O5 N N N 0 -9.76 0.09 -2.225
11 C6 C C6 R N N 0 -9.587 -0.02 -0.811
12 O6 O O6 N N N 0 -8.115 2.118 -1.346
13 C7 C C7 N N N 0 -8.094 -0.073 -0.482
14 O7 O O7 N N N 0 -3.864 0.692 0.089
15 C8 C C8 N N N 0 -7.449 1.234 -0.862
16 O8 O O8 N N N 0 -1.173 0.407 -0.429
17 C9 C C9 R N N 0 -5.58 2.701 -1.053
18 O9 O O9 N N N 0 1.516 1.612 -0.913
19 C10 C C10 S N N 0 -4.391 3.039 -0.152
20 C11 C C11 R N N 0 -3.319 1.956 -0.295
21 O11 O O11 N N N 0 16.441 -0.582 -2.203
22 C12 C C12 N N N 0 -2.129 2.294 0.606
23 O12 O O12 N N N 0 15.29 -2.483 -2.143
24 C13 C C13 N N N 0 -1.024 1.296 0.374
25 O13 O O13 N N N 0 -10.455 -3.593 -0.535
26 C14 C C14 S N N 0 0.266 1.408 1.145
27 C15 C C15 S N N 0 1.416 0.859 0.297
28 C16 C C16 N N N 0 2.725 0.973 1.079
29 C17 C C17 N N N 0 3.853 0.312 0.284
30 C18 C C18 S N N 0 5.163 0.426 1.067
31 C19 C C19 N N N 0 6.264 -0.342 0.332
32 C20 C C20 S N N 0 7.541 -0.334 1.175
33 C21 C C21 N N N 0 -5.114 2.635 -2.509
34 C22 C C22 N N N 0 -4.857 3.105 1.304
35 C23 C C23 N N N 0 0.158 0.601 2.44
36 C24 C C24 N N N 0 5.561 1.898 1.185
37 C25 C C25 N N N 0 7.302 -1.111 2.471
38 C26 C C26 N N N 0 8.676 -0.993 0.388
39 C27 C C27 N N N 0 9.981 -0.873 1.178
40 C28 C C28 N N N 0 11.098 -1.522 0.403
41 C29 C C29 N N N 0 12.163 -0.804 0.04
42 C30 C C30 N N N 0 13.241 -1.43 -0.726
43 C31 C C31 N N N 0 14.32 -0.702 -1.094
44 C32 C C32 N N N 0 12.255 0.651 0.42
45 C33 C C33 N N N 0 13.024 0.788 1.736
46 C34 C C34 N N N 0 15.365 -1.308 -1.837
47 HO1 H HO1 N N N 0 -11.488 -3.977 2.425
48 HO3 H HO3 N N N 0 -8.664 -3.542 -2.134
49 H5 H H5 N N N 0 -12.376 -0.01 1.95
50 H5A H H5A N N N 0 -10.816 0.71 1.487
51 H5B H H5B N N N 0 -12.16 0.671 0.32
52 HO5 H HO5 N N N 0 -9.384 -0.647 -2.726
53 H6 H H6 N N N 0 -10.036 0.845 -0.322
54 H7 H H7 N N N 0 -7.963 -0.246 0.586
55 H7A H H7A N N N 0 -7.628 -0.885 -1.041
56 HO7 H HO7 N N N 0 -4.18 0.661 1.002
57 H9 H H9 N N N 0 -6.344 3.472 -0.951
58 HO9 H HO9 N N N 0 1.687 2.555 -0.777
59 H10 H H10 N N N 0 -3.975 4.003 -0.444
60 H11 H H11 N N N 0 -2.987 1.909 -1.332
61 HO11 H HO11 N N N 0 17.1 -1.081 -2.706
62 H12 H H12 N N N 0 -1.769 3.296 0.373
63 H12A H H12A N N N 0 -2.442 2.254 1.65
64 H14 H H14 N N N 0 0.457 2.454 1.383
65 H15 H H15 N N N 0 1.224 -0.187 0.059
66 H16 H H16 N N N 0 2.962 2.024 1.24
67 H16A H H16A N N N 0 2.618 0.473 2.042
68 H17 H H17 N N N 0 3.616 -0.74 0.123
69 H17A H H17A N N N 0 3.96 0.812 -0.678
70 H18 H H18 N N N 0 5.029 0.004 2.063
71 H19 H H19 N N N 0 5.943 -1.371 0.169
72 H19A H H19A N N N 0 6.46 0.134 -0.629
73 H20 H H20 N N N 0 7.813 0.695 1.413
74 H21 H H21 N N N 0 -5.961 2.394 -3.151
75 H21A H H21A N N N 0 -4.698 3.599 -2.801
76 H21B H H21B N N N 0 -4.35 1.864 -2.611
77 H22 H H22 N N N 0 -4.01 3.345 1.946
78 H22A H H22A N N N 0 -5.621 3.876 1.406
79 H22B H H22B N N N 0 -5.273 2.141 1.597
80 H23 H H23 N N N 0 1.091 0.682 2.998
81 H23A H H23A N N N 0 -0.661 0.992 3.044
82 H23B H H23B N N N 0 -0.034 -0.445 2.202
83 H25 H H25 N N N 0 7.03 -2.139 2.234
84 H24 H H24 N N N 0 4.776 2.445 1.708
85 H24A H H24A N N N 0 6.494 1.979 1.742
86 H24B H H24B N N N 0 5.695 2.32 0.189
87 H25A H H25A N N N 0 8.211 -1.105 3.072
88 H25B H H25B N N N 0 6.493 -0.642 3.032
89 H26 H H26 N N N 0 8.443 -2.045 0.227
90 H26A H H26A N N N 0 8.787 -0.494 -0.575
91 H27 H H27 N N N 0 10.213 0.179 1.339
92 H27A H H27A N N N 0 9.869 -1.372 2.141
93 H28 H H28 N N N 0 11.038 -2.568 0.141
94 H30 H H30 N N N 0 13.175 -2.473 -0.998
95 H31 H H31 N N N 0 14.386 0.341 -0.822
96 H32 H H32 N N N 0 12.778 1.199 -0.364
97 H51 H H51 N N N 0 11.252 1.059 0.541
98 H54 H H54 N N N 0 14.027 0.38 1.614
99 H33 H H33 N N N 0 13.091 1.84 2.01
100 H33A H H33A N N N 0 12.502 0.24 2.52