Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 0SS

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 C1 C C1 N Y N 0 -8.734 3.7 0.579
2 C10 C C10 N Y N 0 -6.602 -0.541 -0.183
3 C11 C C11 N Y N 0 -8.332 -1.637 -1.066
4 C12 C C12 N Y N 0 -6.961 -1.699 -0.802
5 C13 C C13 N N N 0 -9.149 -2.708 -1.742
6 C14 C C14 N N N 0 -9.384 -3.862 -0.766
7 C15 C C15 N N N 0 -8.395 -3.225 -2.97
8 C16 C C16 N N N 0 -10.495 -2.126 -2.178
9 C18 C C18 N N N 0 -4.297 -1.058 0.068
10 C2 C C2 N Y N 0 -8.663 2.446 0.0030
11 C21 C C21 N N N 0 -2.822 0.513 1.238
12 C22 C C22 N N N 0 -1.982 -1.747 0.49
13 C23 C C23 N N N 0 -1.562 1.13 0.621
14 C25 C C25 N N N 0 -0.755 -1.041 -0.098
15 C26 C C26 N N N 0 0.807 0.772 0.269
16 C27 C C27 N N N 0 1.963 -0.176 0.59
17 C29 C C29 N N N 0 4.387 -0.226 0.352
18 C3 C C3 N Y N 0 -7.943 4.006 1.671
19 C32 C C32 N Y N 0 6.75 -0.352 0.143
20 C33 C C33 N Y N 0 6.897 -1.583 0.706
21 C34 C C34 N Y N 0 8.259 -1.899 0.696
22 C37 C C37 N N N 0 8.87 -3.173 1.22
23 C38 C C38 N N N 0 10.38 -2.985 1.379
24 C39 C C39 N N N 0 8.599 -4.312 0.235
25 C4 C C4 N Y N 0 -7.797 1.493 0.522
26 C40 C C40 N N N 0 8.253 -3.514 2.577
27 C41 C C41 N Y N 0 8.292 1.319 -0.802
28 C42 C C42 N Y N 0 9.466 1.985 -0.477
29 C43 C C43 N Y N 0 9.763 3.193 -1.078
30 C44 C C44 N Y N 0 8.886 3.745 -1.994
31 C45 C C45 N Y N 0 7.713 3.087 -2.315
32 C46 C C46 N Y N 0 7.413 1.877 -1.722
33 C47 C C47 N N N 0 9.21 5.066 -2.643
34 C5 C C5 N Y N 0 -7.083 3.057 2.193
35 C6 C C6 N Y N 0 -7.008 1.802 1.622
36 C7 C C7 N N N 0 -8.022 5.375 2.296
37 H1 H H1 N N N 0 5.55 1.21 -0.455
38 H10 H H10 N N N 0 8.695 -4.436 2.956
39 H11 H H11 N N N 0 8.446 -2.703 3.279
40 H12 H H12 N N N 0 9.039 -4.069 -0.732
41 H13 H H13 N N N 0 9.042 -5.233 0.614
42 H14 H H14 N N N 0 7.523 -4.446 0.121
43 H15 H H15 N N N 0 10.574 -2.174 2.081
44 H16 H H16 N N N 0 10.823 -3.906 1.758
45 H17 H H17 N N N 0 10.821 -2.742 0.412
46 H18 H H18 N N N 0 6.102 -2.206 1.089
47 H19 H H19 N N N 0 3.227 1.311 -0.245
48 H2 H H2 N N N 0 6.497 1.363 -1.974
49 H20 H H20 N N N 0 1.819 -1.118 0.06
50 H21 H H21 N N N 0 1.992 -0.365 1.663
51 H22 H H22 N N N 0 0.951 1.714 0.799
52 H23 H H23 N N N 0 0.778 0.961 -0.804
53 H25 H H25 N N N 0 -1.291 2.031 1.171
54 H26 H H26 N N N 0 -1.755 1.385 -0.421
55 H27 H H27 N N N 0 -2.666 0.353 2.305
56 H28 H H28 N N N 0 -3.669 1.182 1.088
57 H29 H H29 N N N 0 -0.96 -0.756 -1.13
58 H3 H H3 N N N 0 7.03 3.521 -3.031
59 H30 H H30 N N N 0 0.101 -1.714 -0.07
60 H31 H H31 N N N 0 -2.274 -2.573 -0.158
61 H32 H H32 N N N 0 -1.744 -2.127 1.483
62 H33 H H33 N N N 0 -5.167 0.653 0.684
63 H34 H H34 N N N 0 -6.304 -2.521 -1.045
64 H35 H H35 N N N 0 -11.031 -1.758 -1.303
65 H36 H H36 N N N 0 -10.326 -1.304 -2.873
66 H37 H H37 N N N 0 -11.085 -2.901 -2.667
67 H38 H H38 N N N 0 -8.986 -4.0 -3.459
68 H39 H H39 N N N 0 -8.227 -2.403 -3.665
69 H4 H H4 N N N 0 8.804 5.877 -2.038
70 H40 H H40 N N N 0 -7.437 -3.64 -2.659
71 H41 H H41 N N N 0 -9.921 -3.494 0.109
72 H42 H H42 N N N 0 -9.975 -4.637 -1.255
73 H43 H H43 N N N 0 -8.426 -4.278 -0.455
74 H44 H H44 N N N 0 -9.281 2.207 -0.85
75 H45 H H45 N N N 0 -6.337 1.061 2.031
76 H46 H H46 N N N 0 -6.47 3.298 3.049
77 H47 H H47 N N N 0 -7.296 6.034 1.821
78 H48 H H48 N N N 0 -9.025 5.779 2.159
79 H49 H H49 N N N 0 -7.802 5.301 3.361
80 H5 H H5 N N N 0 10.291 5.177 -2.72
81 H50 H H50 N N N 0 -9.407 4.441 0.175
82 H6 H H6 N N N 0 8.769 5.099 -3.639
83 H7 H H7 N N N 0 10.678 3.708 -0.829
84 H8 H H8 N N N 0 10.149 1.556 0.241
85 H9 H H9 N N N 0 7.177 -3.648 2.464
86 N17 N N17 N N N 0 -5.321 -0.201 0.251
87 N19 N N19 N N N 0 -3.082 -0.776 0.578
88 N24 N N24 N N N 0 -0.46 0.161 0.693
89 N28 N N28 N N N 0 3.226 0.433 0.167
90 N30 N N30 N N N 0 5.549 0.333 -0.042
91 N35 N N35 N Y N 0 7.991 0.091 -0.199
92 N36 N N36 N Y N 0 8.913 -0.901 0.16
93 N8 N N8 N Y N 0 -7.723 0.22 -0.06
94 N9 N N9 N Y N 0 -8.788 -0.491 -0.627
95 O20 O O20 N N N 0 -4.47 -2.087 -0.556
96 O31 O O31 N N N 0 4.386 -1.326 0.869