Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : MDL

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 69


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N2 N N2 N N N 0 -3.937 -0.663 -1.779
2 C6 C C6 R N N 0 -3.858 -0.217 -0.382
3 C7 C C7 N N N 0 -2.491 0.357 -0.114
4 O9 O O9 N N N 0 -1.849 0.843 -1.02
5 C55 C C55 N N N 0 -4.92 0.855 -0.128
6 C57 C C57 N Y N 0 -6.291 0.248 -0.276
7 C60 C C60 N Y N 0 -6.923 -0.309 0.82
8 C64 C C64 N Y N 0 -6.92 0.254 -1.507
9 C61 C C61 N Y N 0 -8.181 -0.865 0.684
10 C63 C C63 N Y N 0 -8.176 -0.307 -1.644
11 C62 C C62 N Y N 0 -8.808 -0.864 -0.548
12 C1 C C1 N N N 0 -3.414 -2.028 -1.927
13 N8 N N8 N N N 0 -1.981 0.33 1.134
14 C18 C C18 S N N 0 -0.664 0.847 1.533
15 C21 C C21 N N N 0 0.422 0.099 0.804
16 O24 O O24 N N N 0 0.133 -0.784 0.024
17 C15 C C15 N N N 0 -0.527 0.627 3.054
18 C12 C C12 N N N 0 -2.001 0.505 3.524
19 C11 C C11 N N N 0 -2.65 -0.228 2.323
20 N23 N N23 N N N 0 1.716 0.41 1.019
21 C25 C C25 S N N 0 2.772 -0.317 0.311
22 C26 C C26 N N N 0 4.022 0.561 0.217
23 C27 C C27 N Y N 0 3.726 1.766 -0.637
24 C30 C C30 N Y N 0 3.972 1.894 -1.951
25 C31 C C31 N Y N 0 3.109 3.019 -0.193
26 C32 C C32 N Y N 0 3.036 3.841 -1.333
27 N33 N N33 N Y N 0 3.569 3.128 -2.383
28 C34 C C34 N Y N 0 2.488 5.115 -1.22
29 C35 C C35 N Y N 0 2.025 5.554 0.001
30 C36 C C36 N Y N 0 2.099 4.739 1.122
31 C37 C C37 N Y N 0 2.634 3.485 1.034
32 C44 C C44 N N N 0 3.102 -1.582 1.062
33 O46 O O46 N N N 0 2.727 -1.722 2.201
34 C47 C C47 N N N 0 3.899 -2.67 0.391
35 F48 F F48 N N N 0 5.187 -2.202 0.114
36 F49 F F49 N N N 0 3.978 -3.78 1.239
37 C50 C C50 N N N 0 3.211 -3.075 -0.915
38 F53 F F53 N N N 0 1.923 -3.544 -0.638
39 F51 F F51 N N N 0 3.132 -1.965 -1.763
40 F52 F F52 N N N 0 3.951 -4.086 -1.538
41 HN2 H HN2 N N N 0 -3.453 -0.022 -2.391
42 H6 H H6 N N N 0 -4.032 -1.065 0.281
43 H551 H H551 N N N 0 -4.804 1.249 0.882
44 H552 H H552 N N N 0 -4.8 1.663 -0.849
45 H60 H H60 N N N 0 -6.434 -0.31 1.783
46 H64 H H64 N N N 0 -6.428 0.693 -2.363
47 H61 H H61 N N N 0 -8.675 -1.301 1.54
48 H63 H H63 N N N 0 -8.666 -0.306 -2.607
49 H62 H H62 N N N 0 -9.79 -1.3 -0.655
50 H11 H H11 N N N 0 -3.561 -2.364 -2.953
51 H12 H H12 N N N 0 -2.349 -2.036 -1.691
52 H13 H H13 N N N 0 -3.942 -2.695 -1.246
53 H18 H H18 N N N 0 -0.6 1.911 1.307
54 H151 H H151 N N N 0 -0.041 1.48 3.527
55 H152 H H152 N N N 0 0.021 -0.293 3.259
56 H121 H H121 N N N 0 -2.447 1.488 3.669
57 H122 H H122 N N N 0 -2.073 -0.093 4.432
58 H111 H H111 N N N 0 -3.72 -0.024 2.288
59 HN3 H HN3 N N N 0 1.948 1.116 1.643
60 H112 H H112 N N N 0 -2.47 -1.301 2.391
61 H25 H H25 N N N 0 2.429 -0.57 -0.693
62 H261 H H261 N N N 0 4.313 0.886 1.216
63 H262 H H262 N N N 0 4.835 -0.011 -0.23
64 H30 H H30 N N N 0 4.422 1.135 -2.574
65 HN33 H HN33 N N N 0 3.644 3.451 -3.295
66 H34 H H34 N N N 0 2.426 5.757 -2.086
67 H35 H H35 N N N 0 1.6 6.544 0.086
68 H36 H H36 N N N 0 1.731 5.099 2.071
69 H37 H H37 N N N 0 2.688 2.856 1.91