Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : BEI

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 96


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C34 C C34 N Y N 0 -0.597 -4.431 1.619
2 C35 C C35 N Y N 0 -1.642 -5.018 2.309
3 C36 C C36 N Y N 0 -1.38 -5.888 3.351
4 C37 C C37 N Y N 0 -0.074 -6.172 3.702
5 C38 C C38 N Y N 0 0.971 -5.587 3.011
6 C39 C C39 N Y N 0 0.709 -4.72 1.967
7 C40 C C40 N Y N 0 0.324 4.104 2.078
8 C41 C C41 N Y N 0 1.141 4.613 3.07
9 C42 C C42 N Y N 0 0.59 5.307 4.131
10 C43 C C43 N Y N 0 -0.779 5.492 4.199
11 C44 C C44 N Y N 0 -1.595 4.983 3.207
12 C45 C C45 N Y N 0 -1.044 4.293 2.144
13 C30 C C30 N N N 0 0.925 3.347 0.921
14 O29 O O29 N N N 0 0.995 1.958 1.246
15 C5 C C5 R N N 0 1.466 1.283 0.077
16 C4 C C4 R N N 0 0.811 -0.097 -0.014
17 C3 C C3 R N N 0 -0.71 0.056 0.04
18 C2 C C2 R N N 0 -1.366 -1.319 -0.107
19 C1 C C1 N N N 0 -2.865 -1.162 -0.117
20 O17 O O17 N N N 0 -3.529 -1.632 0.782
21 N18 N N18 N N N 0 -3.466 -0.5 -1.125
22 C19 C C19 S N N 0 -4.909 -0.248 -1.078
23 C20 C C20 S N N 0 -5.169 1.111 -0.426
24 C21 C C21 N N N 0 -4.754 1.059 1.046
25 C22 C C22 N N N 0 -4.354 2.187 -1.147
26 C46 C C46 N N N 0 -4.905 2.382 -2.561
27 C23 C C23 N N N 0 -5.464 -0.248 -2.479
28 O24 O O24 N N N 0 -4.732 -0.461 -3.422
29 N25 N N25 N N N 0 -6.775 -0.011 -2.684
30 C26 C C26 N N N 0 -7.337 -0.12 -4.033
31 O32 O O32 N N N 0 -0.981 -2.15 0.99
32 C33 C C33 N N N 0 -0.883 -3.483 0.483
33 O27 O O27 N N N 0 -1.142 0.906 -1.025
34 O28 O O28 N N N 0 1.185 -0.721 -1.244
35 C6 C C6 N N N 0 2.962 1.126 0.156
36 O7 O O7 N N N 0 3.556 1.466 1.158
37 N8 N N8 N N N 0 3.641 0.606 -0.885
38 C9 C C9 S N N 0 5.094 0.44 -0.803
39 C10 C C10 S N N 0 5.421 -0.981 -0.34
40 C11 C C11 N N N 0 4.947 -1.169 1.102
41 C12 C C12 N N N 0 4.71 -1.988 -1.246
42 C47 C C47 N N N 0 5.314 -1.927 -2.65
43 C13 C C13 N N N 0 5.705 0.679 -2.16
44 O14 O O14 N N N 0 4.994 0.941 -3.107
45 N15 N N15 N N N 0 7.04 0.602 -2.322
46 C16 C C16 N N N 0 7.626 0.733 -3.658
47 H35 H H35 N N N 0 -2.662 -4.795 2.035
48 H36 H H36 N N N 0 -2.196 -6.345 3.89
49 H37 H H37 N N N 0 0.131 -6.852 4.516
50 H38 H H38 N N N 0 1.992 -5.809 3.286
51 H39 H H39 N N N 0 1.525 -4.263 1.427
52 H41 H H41 N N N 0 2.21 4.469 3.016
53 H42 H H42 N N N 0 1.228 5.705 4.906
54 H43 H H43 N N N 0 -1.21 6.033 5.028
55 H44 H H44 N N N 0 -2.664 5.127 3.26
56 H45 H H45 N N N 0 -1.682 3.896 1.368
57 H301 H 1H30 N N N 0 1.929 3.725 0.723
58 H302 H 2H30 N N N 0 0.304 3.483 0.036
59 H5 H H5 N N N 0 1.208 1.867 -0.807
60 H4 H H4 N N N 0 1.144 -0.712 0.822
61 H3 H H3 N N N 0 -0.998 0.495 0.995
62 H2 H H2 N N N 0 -1.042 -1.778 -1.042
63 H18 H H18 N N N 0 -2.944 -0.189 -1.881
64 H19 H H19 N N N 0 -5.395 -1.03 -0.495
65 H20 H H20 N N N 0 -6.23 1.351 -0.496
66 H211 H 1H21 N N N 0 -5.029 1.993 1.534
67 H212 H 2H21 N N N 0 -5.262 0.229 1.537
68 H213 H 3H21 N N N 0 -3.675 0.916 1.114
69 H221 H 1H22 N N N 0 -3.311 1.876 -1.203
70 H222 H 2H22 N N N 0 -4.424 3.126 -0.597
71 H461 H 1H46 N N N 0 -4.478 3.285 -2.996
72 H462 H 2H46 N N N 0 -4.64 1.522 -3.176
73 H463 H 3H46 N N N 0 -5.99 2.477 -2.518
74 H25 H H25 N N N 0 -7.346 0.232 -1.939
75 H261 H 1H26 N N N 0 -6.835 0.587 -4.694
76 H262 H 2H26 N N N 0 -7.191 -1.133 -4.406
77 H263 H 3H26 N N N 0 -8.403 0.106 -4.001
78 H331 H 1H33 N N N 0 -1.822 -3.76 0.006
79 H332 H 2H33 N N N 0 -0.075 -3.536 -0.246
80 H27 H H27 N N N 0 -0.868 0.481 -1.85
81 H28 H H28 N N N 0 0.872 -0.145 -1.955
82 H8 H H8 N N N 0 3.168 0.341 -1.689
83 H9 H H9 N N N 0 5.502 1.157 -0.091
84 H10 H H10 N N N 0 6.497 -1.142 -0.393
85 H111 H 1H11 N N N 0 3.874 -0.984 1.159
86 H112 H 2H11 N N N 0 5.158 -2.188 1.424
87 H113 H 3H11 N N N 0 5.471 -0.467 1.751
88 H121 H 1H12 N N N 0 4.834 -2.992 -0.84
89 H122 H 2H12 N N N 0 3.648 -1.745 -1.297
90 H471 H 1H47 N N N 0 4.963 -2.778 -3.234
91 H472 H 2H47 N N N 0 5.009 -1.001 -3.137
92 H473 H 3H47 N N N 0 6.402 -1.959 -2.579
93 H15 H H15 N N N 0 7.614 0.459 -1.553
94 H161 H 1H16 N N N 0 7.366 1.707 -4.074
95 H162 H 2H16 N N N 0 8.71 0.645 -3.591
96 H163 H 3H16 N N N 0 7.236 -0.053 -4.305