Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 53D

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 66


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C5 C C1 N N N 0 1.835 1.079 -0.03
2 C2 C C2 N Y N 0 -0.932 0.538 0.058
3 C7 C C3 N Y N 0 -2.304 0.321 0.108
4 N14 N N1 N N N 0 -4.179 -1.179 0.02
5 C13 C C4 N N N 0 -0.752 4.317 0.601
6 C8 C C5 N Y N 0 -2.804 -0.964 -0.03
7 C4 C C6 N N N 0 1.381 -0.312 -0.183
8 C3 C C7 N Y N 0 -0.07 -0.558 -0.132
9 C21 C C8 N N N 0 -9.057 0.337 -0.585
10 C20 C C9 N N N 0 -8.354 -0.634 0.366
11 C18 C C10 N N N 0 -6.215 -1.149 1.379
12 N17 N N2 N N N 0 -6.903 -0.407 0.313
13 C16 C C11 N N N 0 -6.362 -0.761 -1.006
14 C19 C C12 N N N 0 -4.72 -0.824 1.339
15 C15 C C13 N N N 0 -4.867 -0.436 -1.045
16 C12 C C14 N N N 0 -1.424 3.984 -0.732
17 C28 C C15 N N N 0 10.133 -1.166 -0.313
18 C29 C C16 N N N 0 8.475 -2.304 1.035
19 N27 N N3 N N N 0 8.704 -1.458 -0.144
20 C26 C C17 N N N 0 7.919 -0.218 -0.062
21 C25 C C18 N N N 0 6.428 -0.552 -0.138
22 C24 C C19 N N N 0 5.612 0.739 -0.053
23 O22 O O1 N N N 0 3.628 2.569 -0.052
24 N23 N N4 N N N 0 4.184 0.419 -0.125
25 C11 C C20 N N N 0 -1.351 2.928 0.373
26 C22 C C21 N N N 0 3.268 1.407 -0.069
27 O4 O O2 N N N 0 2.174 -1.224 -0.345
28 F9 F F1 N N N 0 -2.441 -3.292 -0.349
29 C6 C C22 N N N 0 0.894 2.072 0.146
30 N1 N N5 N N N 0 -0.42 1.813 0.182
31 C10 C C23 N Y N 0 -0.588 -1.847 -0.268
32 C9 C C24 N Y N 0 -1.939 -2.045 -0.217
33 H7 H H1 N N N 0 -2.978 1.152 0.253
34 H132 H H2 N N N 0 0.335 4.401 0.609
35 H131 H H3 N N N 0 -1.281 4.988 1.278
36 H211 H H4 N N N 0 -10.133 0.169 -0.546
37 H213 H H5 N N N 0 -8.838 1.362 -0.284
38 H212 H H6 N N N 0 -8.7 0.172 -1.601
39 H202 H H7 N N N 0 -8.71 -0.469 1.383
40 H201 H H8 N N N 0 -8.572 -1.659 0.066
41 H181 H H9 N N N 0 -6.624 -0.86 2.346
42 H182 H H10 N N N 0 -6.359 -2.219 1.227
43 H161 H H12 N N N 0 -6.507 -1.827 -1.184
44 H162 H H13 N N N 0 -6.879 -0.19 -1.777
45 H192 H H14 N N N 0 -4.203 -1.396 2.11
46 H191 H H15 N N N 0 -4.574 0.241 1.518
47 H152 H H16 N N N 0 -4.723 0.634 -0.894
48 H151 H H17 N N N 0 -4.457 -0.725 -2.013
49 H121 H H18 N N N 0 -2.396 4.436 -0.932
50 H122 H H19 N N N 0 -0.78 3.849 -1.601
51 H282 H H20 N N N 0 10.691 -2.101 -0.37
52 H281 H H21 N N N 0 10.282 -0.597 -1.231
53 H283 H H22 N N N 0 10.488 -0.583 0.537
54 H291 H H23 N N N 0 8.834 -1.79 1.926
55 H293 H H24 N N N 0 7.408 -2.505 1.137
56 H292 H H25 N N N 0 9.012 -3.245 0.916
57 H261 H H27 N N N 0 8.132 0.285 0.881
58 H262 H H28 N N N 0 8.188 0.437 -0.891
59 H252 H H29 N N N 0 6.216 -1.055 -1.081
60 H251 H H30 N N N 0 6.16 -1.207 0.691
61 H242 H H31 N N N 0 5.824 1.242 0.891
62 H241 H H32 N N N 0 5.88 1.394 -0.882
63 H23 H H33 N N N 0 3.897 -0.503 -0.213
64 H11 H H34 N N N 0 -2.274 2.684 0.899
65 H6 H H35 N N N 0 1.228 3.094 0.257
66 H10 H H36 N N N 0 0.077 -2.686 -0.414