Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : YI2

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 77


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 6.925 0.431 0.071
2 C02 C C02 N N N 0 6.706 -1.063 -0.0070
3 C03 C C03 R N N 0 5.335 -1.61 0.292
4 C04 C C04 N N N 0 4.32 -0.924 -0.632
5 C05 C C05 N N N 0 4.537 0.571 -0.56
6 C06 C C06 N N N 0 3.536 1.384 -0.24
7 C07 C C07 N N N 0 2.239 0.827 0.175
8 C08 C C08 N N N 0 1.208 1.636 0.393
9 C09 C C09 N N N 0 1.273 3.11 0.077
10 C10 C C10 N N N 0 5.913 1.122 -0.853
11 C11 C C11 N N N 0 0.087 3.542 -0.782
12 C12 C C12 N N N 0 -1.249 3.01 -0.233
13 C13 C C13 S N N 0 -1.14 1.516 -0.154
14 C14 C C14 S N N 0 -0.102 1.155 0.946
15 C15 C C15 N N N 0 -0.357 -0.353 1.0
16 C16 C C16 N N N 0 -1.863 -0.441 0.771
17 C17 C C17 N N N 0 -2.298 0.641 0.137
18 C18 C C18 N N N 0 -0.534 1.036 -1.474
19 C20 C C20 S N N 0 -3.732 0.93 -0.226
20 C21 C C21 N N N 0 -4.254 2.081 0.637
21 C23 C C23 N N N 0 -6.371 -0.063 -0.561
22 C24 C C24 N N N 0 -7.352 -1.223 -0.383
23 C26 C C26 N N N 0 -8.757 -0.769 -0.788
24 C27 C C27 N N N 0 -7.361 -1.664 1.082
25 C28 C C28 N N N 0 -9.759 -1.888 -0.493
26 C29 C C29 N N N 0 -7.873 -0.518 1.956
27 C30 C C30 N N N 0 7.693 -1.865 -0.323
28 C31 C C31 N N N 0 9.093 -1.323 -0.452
29 H1 H H1 N N N 0 -2.062 3.287 -0.904
30 H10 H H10 N N N 0 -5.291 2.29 0.374
31 H11 H H11 N N N 0 -6.293 0.188 -1.619
32 H12 H H12 N N N 0 -6.729 0.804 -0.0070
33 H13 H H13 N N N 0 -7.948 -0.856 2.99
34 H14 H H14 N N N 0 -7.181 0.321 1.897
35 H15 H H15 N N N 0 -8.856 -0.204 1.605
36 H16 H H16 N N N 0 -8.014 -2.529 1.197
37 H17 H H17 N N N 0 -6.349 -1.93 1.387
38 H18 H H18 N N N 0 -9.028 0.121 -0.22
39 H19 H H19 N N N 0 -8.772 -0.539 -1.853
40 H2 H H2 N N N 0 -1.432 3.421 0.76
41 H20 H H20 N N N 0 -9.487 -2.778 -1.06
42 H21 H H21 N N N 0 -9.744 -2.117 0.572
43 H22 H H22 N N N 0 -10.759 -1.564 -0.781
44 H23 H H23 N N N 0 -6.922 -2.11 -2.152
45 H24 H H24 N N N 0 -3.792 1.208 -1.278
46 H26 H H26 N N N 0 -1.214 1.269 -2.293
47 H27 H H27 N N N 0 0.42 1.538 -1.639
48 H28 H H28 N N N 0 -0.374 -0.042 -1.43
49 H29 H H29 N N N 0 0.229 3.167 -1.796
50 H3 H H3 N N N 0 -0.333 1.634 1.898
51 H30 H H30 N N N 0 0.05 4.631 -0.81
52 H31 H H31 N N N 0 2.199 3.328 -0.455
53 H32 H H32 N N N 0 1.259 3.667 1.014
54 H33 H H33 N N N 0 2.126 -0.239 0.303
55 H34 H H34 N N N 0 3.675 2.454 -0.284
56 H35 H H35 N N N 0 6.173 0.924 -1.893
57 H36 H H36 N N N 0 5.923 2.197 -0.671
58 H37 H H37 N N N 0 7.938 0.67 -0.252
59 H38 H H38 N N N 0 6.844 1.832 1.532
60 H39 H H39 N N N 0 3.308 -1.163 -0.305
61 H4 H H4 N N N 0 0.186 -0.866 0.206
62 H40 H H40 N N N 0 4.464 -1.266 -1.656
63 H41 H H41 N N N 0 5.076 -1.412 1.332
64 H42 H H42 N N N 0 4.465 -3.438 0.214
65 H43 H H43 N N N 0 7.503 -2.914 -0.491
66 H44 H H44 N N N 0 9.369 -1.276 -1.505
67 H45 H H45 N N N 0 9.137 -0.323 -0.02
68 H46 H H46 N N N 0 10.924 -1.892 0.2
69 H5 H H5 N N N 0 -0.089 -0.757 1.976
70 H6 H H6 N N N 0 -2.487 -1.267 1.08
71 H8 H H8 N N N 0 -4.194 1.803 1.689
72 H9 H H9 N N N 0 -3.648 2.97 0.461
73 O01 O O01 N N N 0 6.731 0.878 1.414
74 O02 O O02 N N N 0 5.322 -3.02 0.055
75 O03 O O03 N N N 0 -6.95 -2.319 -1.208
76 O04 O O04 N N N 0 10.002 -2.181 0.241
77 S22 S S22 N N N 0 -4.74 -0.55 0.067