Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : R77

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 46


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O6 O O1 N N N 0 0.461 2.519 -0.695
2 P4 P P1 N N N 0 1.835 2.157 0.062
3 O5 O O2 N N N 0 2.928 2.039 -0.929
4 O7 O O3 N N N 0 2.19 3.322 1.115
5 C1 C C1 N N N 0 1.643 0.575 0.947
6 C2 C C2 R N N 0 1.391 -0.546 -0.063
7 C3 C C3 N N N 0 2.411 -1.666 0.153
8 C8 C C4 N N N 0 3.789 -1.163 -0.189
9 N9 N N1 N N N 0 4.868 -1.932 0.059
10 O10 O O4 N N N 0 4.706 -3.212 0.642
11 C11 C C5 N N N 0 6.208 -1.442 -0.273
12 O12 O O5 N N N 0 3.928 -0.066 -0.688
13 C13 C C6 N N N 0 -0.023 -1.099 0.132
14 C14 C C7 N N N 0 -1.046 -0.013 -0.205
15 C15 C C8 N N N 0 -2.459 -0.566 -0.01
16 C21 C C12 N Y N 0 -6.8 -1.15 -1.027
17 C16 C C9 N N N 0 -3.483 0.52 -0.347
18 C17 C C10 N Y N 0 -4.875 -0.024 -0.155
19 C19 C C11 N Y N 0 -5.525 -0.646 -1.204
20 C22 C C13 N Y N 0 -7.424 -1.033 0.201
21 C20 C C14 N Y N 0 -6.774 -0.412 1.251
22 C18 C C15 N Y N 0 -5.499 0.093 1.073
23 H1 H H1 N N N 0 -0.3 2.612 -0.105
24 H2 H H2 N N N 0 2.306 4.194 0.714
25 H3 H H3 N N N 0 2.553 0.361 1.508
26 H4 H H4 N N N 0 0.8 0.643 1.634
27 H5 H H5 N N N 0 1.491 -0.154 -1.074
28 H6 H H6 N N N 0 2.388 -1.982 1.196
29 H7 H H7 N N N 0 2.163 -2.512 -0.488
30 H8 H H8 N N N 0 5.536 -3.688 0.782
31 H9 H H9 N N N 0 6.134 -0.446 -0.709
32 H10 H H10 N N N 0 6.814 -1.398 0.632
33 H11 H H11 N N N 0 6.674 -2.119 -0.99
34 H12 H H12 N N N 0 -0.172 -1.956 -0.525
35 H13 H H13 N N N 0 -0.151 -1.41 1.169
36 H14 H H14 N N N 0 -0.897 0.843 0.453
37 H15 H H15 N N N 0 -0.918 0.298 -1.241
38 H16 H H16 N N N 0 -2.608 -1.422 -0.667
39 H17 H H17 N N N 0 -2.588 -0.877 1.027
40 H18 H H18 N N N 0 -3.334 1.377 0.311
41 H19 H H19 N N N 0 -3.354 0.832 -1.383
42 H20 H H20 N N N 0 -5.037 -0.737 -2.164
43 H21 H H21 N N N 0 -7.308 -1.634 -1.847
44 H22 H H22 N N N 0 -8.421 -1.426 0.339
45 H23 H H23 N N N 0 -7.262 -0.321 2.21
46 H24 H H24 N N N 0 -4.99 0.574 1.894