Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : T9H

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 73


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O4 O O4 N N N 0 4.496 -2.276 -0.521
2 C6 C C6 N N N 0 5.201 -1.299 -0.376
3 N2 N N2 N N N 0 6.541 -1.436 -0.337
4 C5 C C5 N Y N 0 7.113 -2.709 -0.353
5 C4 C C4 N Y N 0 8.348 -2.93 -0.962
6 C3 C C3 N Y N 0 8.88 -4.203 -0.955
7 N1 N N1 N Y N 0 8.235 -5.202 -0.383
8 C2 C C2 N Y N 0 7.065 -5.033 0.203
9 C1 C C1 N Y N 0 6.469 -3.79 0.245
10 C7 C C7 R N N 0 4.579 0.067 -0.246
11 C23 C C23 N N N 0 5.08 0.965 -1.379
12 C24 C C24 N Y N 0 4.556 2.364 -1.18
13 C27 C C27 N Y N 0 5.155 3.409 -0.347
14 C28 C C28 N Y N 0 6.291 3.473 0.462
15 C29 C C29 N Y N 0 6.586 4.629 1.128
16 C30 C C30 N Y N 0 5.764 5.741 1.007
17 C31 C C31 N Y N 0 4.639 5.701 0.215
18 C26 C C26 N Y N 0 4.319 4.534 -0.473
19 N6 N N6 N Y N 0 3.293 4.184 -1.321
20 C25 C C25 N Y N 0 3.453 2.89 -1.737
21 N3 N N3 N N N 0 3.121 -0.051 -0.325
22 C8 C C8 N N N 0 2.407 -0.339 0.781
23 O3 O O3 N N N 0 2.973 -0.502 1.845
24 C9 C C9 N Y N 0 0.94 -0.458 0.701
25 C22 C C22 N Y N 0 0.196 -0.757 1.85
26 F F F N N N 0 0.821 -0.938 3.034
27 C21 C C21 N Y N 0 -1.177 -0.866 1.767
28 C12 C C12 N Y N 0 -1.815 -0.678 0.546
29 C11 C C11 N Y N 0 -1.072 -0.381 -0.594
30 C10 C C10 N Y N 0 0.286 -0.266 -0.52
31 N4 N N4 N N N 0 -3.199 -0.788 0.463
32 C20 C C20 N N N 0 -3.664 -0.553 -0.911
33 C19 C C19 N N N 0 -5.163 -0.86 -0.999
34 N5 N N5 N N N 0 -5.86 -0.08 0.035
35 C14 C C14 N N N 0 -5.364 -0.157 1.418
36 C13 C C13 N N N 0 -3.857 0.121 1.41
37 S1 S S1 N N N 0 -7.169 0.859 -0.347
38 O1 O O1 N N N 0 -7.255 1.857 0.662
39 O2 O O2 N N N 0 -7.056 1.161 -1.731
40 C15 C C15 N Y N 0 -8.604 -0.149 -0.173
41 S2 S S2 N Y N 0 -9.314 -1.13 -1.449
42 C18 C C18 N Y N 0 -10.576 -1.687 -0.359
43 C17 C C17 N Y N 0 -10.405 -1.135 0.844
44 C16 C C16 N Y N 0 -9.314 -0.29 0.947
45 H2 H H2 N N N 0 7.108 -0.65 -0.299
46 H7 H H7 N N N 0 4.856 0.503 0.714
47 H4 H H4 N N N 0 8.88 -2.117 -1.433
48 H1 H H1 N N N 0 5.513 -3.658 0.731
49 H3 H H3 N N N 0 9.835 -4.384 -1.425
50 HA H HA N N N 0 6.571 -5.878 0.66
51 H231 H H231 N N N 0 6.17 0.982 -1.374
52 H232 H H232 N N N 0 4.726 0.577 -2.334
53 HB H HB N N N 0 2.669 0.079 -1.174
54 H25 H H25 N N N 0 2.79 2.369 -2.411
55 H28 H H28 N N N 0 6.935 2.611 0.561
56 H29 H H29 N N N 0 7.465 4.677 1.754
57 H30 H H30 N N N 0 6.01 6.648 1.541
58 H31 H H31 N N N 0 4.006 6.571 0.127
59 H6 H H6 N N N 0 2.567 4.769 -1.588
60 H10 H H10 N N N 0 0.857 -0.031 -1.406
61 H21 H H21 N N N 0 -1.755 -1.097 2.65
62 H11 H H11 N N N 0 -1.573 -0.236 -1.54
63 H201 H H201 N N N 0 -3.489 0.488 -1.182
64 H202 H H202 N N N 0 -3.119 -1.204 -1.595
65 H131 H H131 N N N 0 -3.453 -0.04 2.409
66 H132 H H132 N N N 0 -3.68 1.153 1.107
67 H142 H H142 N N N 0 -5.55 -1.154 1.819
68 H191 H H191 N N N 0 -5.537 -0.579 -1.983
69 H192 H H192 N N N 0 -5.33 -1.924 -0.83
70 H141 H H141 N N N 0 -5.871 0.588 2.031
71 H16 H H16 N N N 0 -9.057 0.218 1.865
72 H18 H H18 N N N 0 -11.369 -2.372 -0.622
73 H17 H H17 N N N 0 -11.066 -1.335 1.674