Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : R2A

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 C10 C C1 N Y N 0 -7.07 -2.374 -0.098
2 C13 C C2 N N N 0 -9.905 -3.071 1.537
3 C17 C C3 N Y N 0 -7.642 -5.964 0.061
4 C20 C C4 N Y N 0 -6.437 -6.503 -1.932
5 C21 C C5 N Y N 0 -6.131 -5.174 -2.14
6 C22 C C6 N Y N 0 -6.578 -4.213 -1.243
7 C24 C C7 N Y N 0 -6.58 2.486 0.117
8 C26 C C8 N N N 0 -4.14 5.53 -1.852
9 C02 C C9 N N N 0 -5.968 4.849 -0.366
10 C03 C C10 N Y N 0 -6.637 3.831 0.473
11 C04 C C11 N Y N 0 -7.329 4.218 1.624
12 C05 C C12 N Y N 0 -7.955 3.27 2.409
13 C06 C C13 N Y N 0 -7.904 1.934 2.063
14 C07 C C14 N Y N 0 -7.22 1.533 0.911
15 C08 C C15 N N N 0 -7.167 0.147 0.553
16 C09 C C16 N N N 0 -7.123 -0.989 0.26
17 C11 C C17 N Y N 0 -7.65 -3.386 0.602
18 C18 C C20 N Y N 0 -7.191 -6.893 -0.835
19 C12 C C18 N N N 0 -8.449 -3.267 1.874
20 C16 C C19 N Y N 0 -7.342 -4.614 -0.132
21 C19 C C21 N N N 0 -7.514 -8.351 -0.628
22 C27 C C22 N N N 0 -2.709 5.808 -1.381
23 C29 C C23 N N N 0 -0.572 4.763 -0.928
24 C30 C C24 N N N 0 0.183 3.435 -1.006
25 C32 C C25 N N N 0 2.466 2.627 -0.736
26 C33 C C26 N Y N 0 3.898 2.857 -0.449
27 C34 C C27 N Y N 0 4.792 1.788 -0.462
28 C35 C C28 N Y N 0 6.142 2.014 -0.191
29 C36 C C29 N N N 0 7.069 0.922 -0.202
30 C37 C C30 N N N 0 7.829 0.027 -0.211
31 C38 C C31 N Y N 0 8.756 -1.064 -0.223
32 C39 C C32 N Y N 0 10.089 -0.962 0.026
33 C40 C C33 N N N 0 10.855 0.293 0.359
34 C41 C C34 N N N 0 10.869 0.492 1.852
35 C44 C C35 N Y N 0 10.629 -2.317 -0.093
36 C45 C C36 N Y N 0 11.902 -2.872 0.041
37 C46 C C37 N Y N 0 12.078 -4.216 -0.14
38 C47 C C38 N N N 0 13.452 -4.818 0.005
39 C48 C C39 N Y N 0 11.0 -5.029 -0.456
40 C49 C C40 N Y N 0 9.733 -4.499 -0.593
41 C50 C C41 N Y N 0 9.531 -3.137 -0.414
42 C52 C C42 N Y N 0 6.588 3.31 0.091
43 C53 C C43 N Y N 0 5.695 4.362 0.102
44 C54 C C44 N Y N 0 4.359 4.146 -0.171
45 C56 C C45 N N N 0 -2.615 3.711 -0.167
46 C57 C C46 N N N 0 -4.043 3.346 -0.589
47 N25 N N1 N N N 0 -4.765 4.585 -0.913
48 N28 N N2 N N N 0 -1.995 4.536 -1.212
49 N31 N N3 N N N 0 1.602 3.662 -0.723
50 O01 O O1 N N N 0 -6.503 5.922 -0.562
51 O14 O O2 N N N 0 -10.257 -3.032 0.382
52 O15 O O3 N N N 0 -10.81 -2.939 2.519
53 O23 O O4 N Y N 0 -6.442 -2.872 -1.182
54 O42 O O5 N N N 0 10.314 -0.303 2.573
55 O43 O O6 N N N 0 11.498 1.553 2.382
56 O51 O O7 N Y N 0 8.437 -2.35 -0.476
57 O55 O O8 N N N 0 2.067 1.506 -0.982
58 H171 H H1 N N N 0 -8.228 -6.273 0.914
59 H201 H H2 N N N 0 -6.087 -7.247 -2.632
60 H211 H H3 N N N 0 -5.544 -4.882 -2.998
61 H241 H H4 N N N 0 -6.047 2.182 -0.772
62 H261 H H5 N N N 0 -4.708 6.46 -1.868
63 H262 H H6 N N N 0 -4.118 5.096 -2.852
64 H041 H H7 N N N 0 -7.373 5.26 1.9
65 H051 H H8 N N N 0 -8.487 3.575 3.298
66 H061 H H9 N N N 0 -8.395 1.198 2.682
67 H121 H H10 N N N 0 -8.091 -2.413 2.449
68 H122 H H11 N N N 0 -8.332 -4.177 2.463
69 H193 H H12 N N N 0 -8.452 -8.59 -1.129
70 H192 H H13 N N N 0 -6.714 -8.963 -1.045
71 H191 H H14 N N N 0 -7.609 -8.554 0.438
72 H271 H H15 N N N 0 -2.194 6.419 -2.122
73 H272 H H16 N N N 0 -2.736 6.339 -0.428
74 H291 H H17 N N N 0 -0.464 5.184 0.071
75 H292 H H18 N N N 0 -0.162 5.458 -1.661
76 H302 H H19 N N N 0 -0.228 2.74 -0.273
77 H301 H H20 N N N 0 0.075 3.014 -2.006
78 H341 H H21 N N N 0 4.442 0.79 -0.681
79 H402 H H22 N N N 0 11.879 0.2 -0.005
80 H401 H H23 N N N 0 10.376 1.148 -0.118
81 H451 H H24 N N N 0 12.745 -2.243 0.287
82 H473 H H25 N N N 0 13.609 -5.12 1.04
83 H471 H H26 N N N 0 13.538 -5.688 -0.645
84 H472 H H27 N N N 0 14.204 -4.079 -0.275
85 H481 H H28 N N N 0 11.153 -6.089 -0.596
86 H491 H H29 N N N 0 8.901 -5.142 -0.84
87 H521 H H30 N N N 0 7.632 3.487 0.302
88 H531 H H31 N N N 0 6.044 5.36 0.322
89 H541 H H32 N N N 0 3.667 4.975 -0.166
90 H562 H H33 N N N 0 -2.644 4.27 0.768
91 H561 H H34 N N N 0 -2.033 2.8 -0.028
92 H571 H H35 N N N 0 -4.011 2.7 -1.466
93 H572 H H36 N N N 0 -4.545 2.83 0.229
94 H311 H H38 N N N 0 1.92 4.557 -0.526
95 H2 H H39 N N N 0 -11.731 -2.815 2.254
96 H3 H H40 N N N 0 11.48 1.638 3.345