Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : YI3

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 85


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C01 C C01 R N N 0 6.569 2.233 0.688
2 C02 C C02 N N N 0 6.069 3.629 0.329
3 C03 C C03 R N N 0 4.803 3.521 -0.523
4 C04 C C04 N N N 0 3.69 2.864 0.301
5 C05 C C05 N N N 0 4.199 1.543 0.831
6 C06 C C06 N N N 0 3.503 0.425 0.658
7 C07 C C07 N N N 0 2.283 0.438 -0.165
8 C08 C C08 N N N 0 1.53 -0.652 -0.253
9 C09 C C09 R N N 0 1.876 -1.944 0.474
10 C10 C C10 N N N 0 5.525 1.525 1.559
11 C11 C C11 N N N 0 0.67 -2.468 1.251
12 C12 C C12 N N N 0 -0.6 -2.494 0.385
13 C13 C C13 R N N 0 -0.86 -1.082 -0.085
14 C14 C C14 R N N 0 0.277 -0.699 -1.077
15 C15 C C15 N N N 0 -0.237 0.636 -1.622
16 C16 C C16 N N N 0 -1.751 0.357 -1.842
17 C17 C C17 R N N 0 -2.124 -0.804 -0.883
18 C18 C C18 N N N 0 -0.812 -0.143 1.123
19 C20 C C20 R N N 0 -3.26 -0.379 0.049
20 C21 C C21 N N N 0 -3.564 -1.511 1.032
21 C22 C C22 N N N 0 -4.51 -0.07 -0.777
22 C23 C C23 N N N 0 -5.606 0.474 0.141
23 C24 C C24 N N N 0 -6.857 0.782 -0.685
24 C25 C C25 N N N 0 -7.953 1.327 0.233
25 C26 C C26 N N N 0 -9.203 1.635 -0.593
26 C27 C C27 N N N 0 -7.461 2.607 0.911
27 C28 C C28 N N N 0 2.312 -2.995 -0.549
28 C29 C C29 N N N 0 2.81 -4.243 0.183
29 C30 C C30 N N N 0 3.246 -5.294 -0.84
30 C31 C C31 N N N 0 3.744 -6.542 -0.109
31 H1 H H1 N N N 0 -8.587 -0.488 0.87
32 H10 H H10 N N N 0 -5.256 1.386 0.624
33 H11 H H11 N N N 0 -5.847 -0.27 0.901
34 H12 H H12 N N N 0 -4.86 -0.982 -1.26
35 H13 H H13 N N N 0 -4.269 0.674 -1.536
36 H14 H H14 N N N 0 -2.961 0.512 0.603
37 H15 H H15 N N N 0 -2.673 -1.731 1.621
38 H16 H H16 N N N 0 -4.373 -1.208 1.697
39 H17 H H17 N N N 0 -3.863 -2.401 0.479
40 H18 H H18 N N N 0 -2.414 -1.687 -1.453
41 H19 H H19 N N N 0 -1.93 0.061 -2.876
42 H2 H H2 N N N 0 -9.984 2.023 0.061
43 H20 H H20 N N N 0 -2.335 1.244 -1.601
44 H21 H H21 N N N 0 0.252 0.882 -2.564
45 H22 H H22 N N N 0 -0.095 1.432 -0.891
46 H23 H H23 N N N 0 0.359 -1.436 -1.875
47 H24 H H24 N N N 0 -1.081 0.866 0.809
48 H25 H H25 N N N 0 -1.515 -0.488 1.88
49 H26 H H26 N N N 0 0.196 -0.138 1.539
50 H27 H H27 N N N 0 -1.444 -2.848 0.976
51 H28 H H28 N N N 0 -0.45 -3.148 -0.474
52 H29 H H29 N N N 0 0.498 -1.826 2.115
53 H3 H H3 N N N 0 -8.963 2.379 -1.352
54 H30 H H30 N N N 0 0.885 -3.479 1.597
55 H31 H H31 N N N 0 2.696 -1.756 1.167
56 H32 H H32 N N N 0 1.465 -3.259 -1.182
57 H33 H H33 N N N 0 3.115 -2.591 -1.166
58 H34 H H34 N N N 0 3.657 -3.979 0.816
59 H35 H H35 N N N 0 2.007 -4.647 0.799
60 H36 H H36 N N N 0 2.399 -5.558 -1.474
61 H37 H H37 N N N 0 4.049 -4.89 -1.457
62 H38 H H38 N N N 0 4.055 -7.291 -0.837
63 H39 H H39 N N N 0 4.591 -6.278 0.525
64 H4 H H4 N N N 0 -9.554 0.723 -1.076
65 H40 H H40 N N N 0 2.941 -6.946 0.508
66 H41 H H41 N N N 0 2.001 1.334 -0.698
67 H42 H H42 N N N 0 3.831 -0.494 1.121
68 H43 H H43 N N N 0 5.428 2.048 2.51
69 H44 H H44 N N N 0 5.832 0.495 1.738
70 H45 H H45 N N N 0 2.819 2.694 -0.332
71 H46 H H46 N N N 0 3.416 3.512 1.133
72 H47 H H47 N N N 0 5.009 2.914 -1.404
73 H48 H H48 N N N 0 3.59 4.833 -1.474
74 H49 H H49 N N N 0 6.838 4.156 -0.235
75 H5 H H5 N N N 0 -8.243 2.995 1.565
76 H50 H H50 N N N 0 5.85 4.181 1.244
77 H51 H H51 N N N 0 7.505 2.312 1.241
78 H52 H H52 N N N 0 7.103 0.582 -0.357
79 H6 H H6 N N N 0 -6.571 2.387 1.5
80 H7 H H7 N N N 0 -7.221 3.351 0.152
81 H8 H H8 N N N 0 -7.207 -0.13 -1.168
82 H9 H H9 N N N 0 -6.616 1.526 -1.444
83 O01 O O01 N N N 0 6.784 1.482 -0.509
84 O02 O O02 N N N 0 4.389 4.826 -0.929
85 O03 O O03 N N N 0 -8.269 0.351 1.229