Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : I04

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 64


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 F96 F F96 N N N 0 -4.516 0.216 -1.837
2 C76 C C76 N Y N 0 -4.853 0.124 -0.532
3 C75 C C75 N Y N 0 -5.501 1.176 0.094
4 O95 O O95 N N N 0 -5.803 2.301 -0.609
5 C98 C C98 N N N 0 -6.464 3.188 0.296
6 C74 C C74 N Y N 0 -5.847 1.084 1.435
7 C73 C C73 N Y N 0 -5.545 -0.054 2.159
8 C72 C C72 N Y N 0 -4.892 -1.114 1.551
9 O92 O O92 N N N 0 -4.597 -2.231 2.264
10 C71 C C71 N Y N 0 -4.538 -1.031 0.196
11 C61 C C61 N N N 0 -3.843 -2.152 -0.459
12 O62 O O62 N N N 0 -4.485 -3.048 -0.972
13 C54 C C54 N Y N 0 -2.364 -2.188 -0.493
14 C55 C C55 N Y N 0 -1.706 -3.192 -1.206
15 C56 C C56 N Y N 0 -0.329 -3.225 -1.238
16 C53 C C53 N Y N 0 -1.627 -1.214 0.183
17 C52 C C52 N Y N 0 -0.249 -1.251 0.156
18 C51 C C51 N Y N 0 0.408 -2.255 -0.557
19 C42 C C42 N N N 0 1.887 -2.291 -0.591
20 O43 O O43 N N N 0 2.46 -3.164 -1.212
21 N41 N N41 N N N 0 2.599 -1.354 0.067
22 C37 C C37 R N N 0 4.064 -1.389 0.033
23 C36 C C36 N N N 0 4.588 -2.344 1.145
24 C35 C C35 N N N 0 6.004 -2.614 0.934
25 C34 C C34 N N N 0 6.89 -1.365 0.991
26 N33 N N33 N N N 0 6.924 -0.812 -0.342
27 C32 C C32 N N N 0 5.943 0.29 -0.422
28 C31 C C31 R N N 0 4.608 -0.007 0.28
29 N23 N N23 N N N 0 3.617 0.971 -0.175
30 C21 C C21 N N N 0 3.531 2.173 0.426
31 O22 O O22 N N N 0 4.276 2.447 1.347
32 C14 C C14 N Y N 0 2.528 3.162 -0.034
33 C13 C C13 N Y N 0 2.422 4.416 0.576
34 C12 C C12 N Y N 0 1.473 5.307 0.115
35 N11 N N11 N Y N 0 0.676 4.989 -0.885
36 C16 C C16 N Y N 0 0.742 3.819 -1.488
37 C15 C C15 N Y N 0 1.666 2.87 -1.095
38 H981 H 1H98 N N N 0 -5.8 3.419 1.129
39 H982 H 2H98 N N N 0 -6.727 4.109 -0.225
40 H983 H 3H98 N N N 0 -7.369 2.713 0.674
41 H74 H H74 N N N 0 -6.355 1.906 1.916
42 H73 H H73 N N N 0 -5.819 -0.117 3.202
43 H92 H H92 N N N 0 -5.383 -2.794 2.24
44 H55 H H55 N N N 0 -2.277 -3.943 -1.733
45 H56 H H56 N N N 0 0.18 -4.001 -1.79
46 H53 H H53 N N N 0 -2.135 -0.438 0.735
47 H52 H H52 N N N 0 0.321 -0.501 0.684
48 H41 H H41 N N N 0 2.142 -0.656 0.562
49 H37 H H37 N N N 0 4.398 -1.745 -0.942
50 H361 H 1H36 N N N 0 4.449 -1.875 2.119
51 H362 H 2H36 N N N 0 4.031 -3.28 1.111
52 H351 H 1H35 N N N 0 6.341 -3.315 1.698
53 H352 H 2H35 N N N 0 6.127 -3.084 -0.042
54 H341 H 1H34 N N N 0 6.466 -0.639 1.685
55 H342 H 2H34 N N N 0 7.897 -1.638 1.307
56 H31 H H31 N N N 0 4.747 0.118 1.354
57 H33 H H33 N N N 0 7.836 -0.398 -0.461
58 H321 H 1H32 N N N 0 6.383 1.179 0.028
59 H322 H 2H32 N N N 0 5.742 0.499 -1.472
60 H23 H H23 N N N 0 3.022 0.752 -0.91
61 H13 H H13 N N N 0 3.073 4.683 1.396
62 H12 H H12 N N N 0 1.384 6.278 0.58
63 H16 H H16 N N N 0 0.068 3.601 -2.304
64 H15 H H15 N N N 0 1.715 1.913 -1.594