Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : II3

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 C03 C C1 N N N 0 -12.139 0.143 -1.19
2 C04 C C2 R N N 0 -11.37 -0.238 0.077
3 C05 C C3 N N N 0 -13.598 -0.302 -1.029
4 C06 C C4 R N N 0 -14.243 0.544 0.071
5 C07 C C5 N N N 0 -12.117 0.222 1.294
6 C08 C C6 N N N 0 -12.082 1.659 -1.389
7 C09 C C7 N N N 0 -11.518 -0.558 -2.399
8 C10 C C8 N N N 0 -13.371 0.556 1.292
9 C11 C C9 N N N 0 11.584 1.702 -0.103
10 C12 C C10 N N N 0 -10.01 0.411 0.05
11 C13 C C11 N N N 0 12.976 2.153 -0.549
12 C14 C C12 R N N 0 14.021 1.418 0.299
13 C15 C C13 N N N 0 -11.365 0.301 2.598
14 C16 C C14 N N N 0 11.516 0.204 -0.058
15 C17 C C15 N N N 0 13.992 -0.066 -0.071
16 C18 C C16 N N N 0 12.582 -0.579 -0.04
17 C19 C C17 N N N 0 10.543 2.228 -1.094
18 C20 C C18 N N N 0 11.289 2.266 1.289
19 C21 C C19 N N N 0 -8.908 -0.345 0.067
20 C22 C C20 N N N 0 12.368 -2.07 0.016
21 C23 C C21 N N N 0 10.224 -0.414 -0.033
22 C24 C C22 N N N 0 -7.629 0.267 0.042
23 C25 C C23 N N N 0 -7.512 1.768 -0.003
24 C26 C C24 N N N 0 -6.508 -0.502 0.059
25 C27 C C25 N N N 0 9.165 -0.92 -0.012
26 C28 C C26 N N N 0 7.873 -1.537 0.013
27 C29 C C27 N N N 0 -5.24 0.104 0.034
28 C30 C C28 N N N 0 7.756 -3.039 0.059
29 C31 C C29 N N N 0 6.747 -0.765 -0.004
30 C32 C C30 N N N 0 -4.114 -0.668 0.051
31 C33 C C31 N N N 0 -2.85 -0.064 0.026
32 C34 C C32 N N N 0 5.483 -1.369 0.021
33 C35 C C33 N N N 0 -2.733 1.438 -0.019
34 C36 C C34 N N N 0 -1.714 -0.842 0.044
35 C37 C C35 N N N 0 4.347 -0.591 0.004
36 C38 C C36 N N N 0 3.084 -1.194 0.029
37 C39 C C37 N N N 0 -0.451 -0.239 0.019
38 C40 C C38 N N N 0 1.948 -0.415 0.011
39 C41 C C39 N N N 0 0.685 -1.018 0.036
40 C42 C C40 N N N 0 2.967 -2.696 0.074
41 O01 O O1 N N N 0 -15.517 -0.01 0.408
42 O02 O O2 N N N 0 15.319 1.954 0.034
43 H1 H H1 N N N 0 -11.25 -1.321 0.115
44 H2 H H2 N N N 0 -14.132 -0.152 -1.967
45 H3 H H3 N N N 0 -13.631 -1.355 -0.749
46 H4 H H4 N N N 0 -14.376 1.564 -0.288
47 H6 H H6 N N N 0 -12.637 1.928 -2.288
48 H7 H H7 N N N 0 -12.525 2.156 -0.526
49 H8 H H8 N N N 0 -11.044 1.973 -1.496
50 H9 H H9 N N N 0 -10.479 -0.246 -2.506
51 H10 H H10 N N N 0 -11.559 -1.638 -2.254
52 H11 H H11 N N N 0 -12.072 -0.291 -3.299
53 H12 H H12 N N N 0 -13.814 0.867 2.227
54 H14 H H14 N N N 0 -9.926 1.488 0.018
55 H15 H H15 N N N 0 13.121 1.909 -1.601
56 H16 H H16 N N N 0 13.077 3.228 -0.402
57 H17 H H17 N N N 0 13.783 1.535 1.357
58 H18 H H18 N N N 0 -10.924 1.292 2.703
59 H19 H H19 N N N 0 -12.052 0.119 3.424
60 H20 H H20 N N N 0 -10.576 -0.451 2.608
61 H21 H H21 N N N 0 14.401 -0.197 -1.073
62 H22 H H22 N N N 0 14.595 -0.629 0.642
63 H23 H H23 N N N 0 9.548 1.918 -0.774
64 H24 H H24 N N N 0 10.59 3.316 -1.128
65 H25 H H25 N N N 0 10.748 1.824 -2.085
66 H26 H H26 N N N 0 12.027 1.889 1.997
67 H27 H H27 N N N 0 11.338 3.354 1.258
68 H28 H H28 N N N 0 10.293 1.955 1.603
69 H29 H H29 N N N 0 -8.991 -1.421 0.1
70 H30 H H30 N N N 0 12.307 -2.466 -0.998
71 H31 H H31 N N N 0 13.203 -2.537 0.539
72 H32 H H32 N N N 0 11.441 -2.285 0.546
73 H33 H H33 N N N 0 -7.478 2.161 1.013
74 H34 H H34 N N N 0 -6.599 2.046 -0.531
75 H35 H H35 N N N 0 -8.374 2.184 -0.525
76 H36 H H36 N N N 0 -6.592 -1.578 0.092
77 H37 H H37 N N N 0 -5.156 1.18 0.002
78 H38 H H38 N N N 0 7.733 -3.37 1.097
79 H39 H H39 N N N 0 6.838 -3.347 -0.441
80 H40 H H40 N N N 0 8.613 -3.485 -0.447
81 H41 H H41 N N N 0 6.831 0.311 -0.036
82 H42 H H42 N N N 0 -4.198 -1.744 0.084
83 H43 H H43 N N N 0 5.399 -2.445 0.054
84 H44 H H44 N N N 0 -2.699 1.831 0.997
85 H45 H H45 N N N 0 -1.82 1.716 -0.546
86 H46 H H46 N N N 0 -3.595 1.854 -0.541
87 H47 H H47 N N N 0 -1.798 -1.919 0.076
88 H48 H H48 N N N 0 4.431 0.486 -0.029
89 H49 H H49 N N N 0 -0.368 0.837 -0.014
90 H50 H H50 N N N 0 2.032 0.661 -0.021
91 H51 H H51 N N N 0 0.601 -2.094 0.069
92 H52 H H52 N N N 0 2.945 -3.027 1.112
93 H53 H H53 N N N 0 2.049 -3.004 -0.426
94 H54 H H54 N N N 0 3.824 -3.142 -0.431
95 H55 H H55 N N N 0 -15.986 0.476 1.101
96 H56 H H56 N N N 0 16.029 1.533 0.538