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PDBeChem : Atoms of Molecule
Molecule : R79
Atoms of a chemical element, that composes a molecule
Total Number of Atoms: 55
Record |
Atom Name |
Symbol |
PDB Name |
Stereochemistry |
Is Aromatic |
Is Leaving Atom |
Charge |
X-Coordinate |
Y-Coordinate |
Z-Coordinate |
1 |
C3A |
C |
C3A |
N |
N |
N |
0 |
2.771 |
-0.964 |
-12.152 |
2 |
C2A |
C |
C2A |
N |
N |
N |
0 |
2.508 |
0.015 |
-11.324 |
3 |
C1A |
C |
C1A |
N |
N |
N |
0 |
1.226 |
0.008 |
-10.531 |
4 |
N1 |
N |
N1 |
S |
N |
N |
0 |
1.538 |
0.008 |
-9.096 |
5 |
C1B |
C |
C1B |
N |
N |
N |
0 |
0.253 |
0.0 |
-8.384 |
6 |
C2B |
C |
C2B |
N |
N |
N |
0 |
0.505 |
0.0 |
-6.875 |
7 |
C3B |
C |
C3B |
N |
N |
N |
0 |
-0.833 |
-0.007 |
-6.134 |
8 |
C4B |
C |
C4B |
N |
N |
N |
0 |
-0.581 |
-0.008 |
-4.625 |
9 |
C5B |
C |
C5B |
N |
N |
N |
0 |
-1.919 |
-0.016 |
-3.885 |
10 |
C6B |
C |
C6B |
N |
N |
N |
0 |
-1.667 |
-0.017 |
-2.376 |
11 |
O |
O |
O |
N |
N |
N |
0 |
-2.917 |
-0.024 |
-1.684 |
12 |
C6C |
C |
C6C |
N |
Y |
N |
0 |
-2.631 |
-0.024 |
-0.355 |
13 |
C7C |
C |
C7C |
N |
Y |
N |
0 |
-3.654 |
-0.025 |
0.577 |
14 |
C7P |
C |
C7P |
N |
Y |
N |
0 |
-3.343 |
-0.032 |
1.92 |
15 |
S1C |
S |
S1C |
N |
Y |
N |
0 |
-4.279 |
-0.039 |
3.425 |
16 |
N2C |
N |
N2C |
N |
Y |
N |
0 |
-2.998 |
-0.035 |
4.554 |
17 |
C3C |
C |
C3C |
N |
Y |
N |
0 |
-1.908 |
-0.028 |
3.834 |
18 |
C3P |
C |
C3P |
N |
Y |
N |
0 |
-2.006 |
-0.026 |
2.379 |
19 |
C4C |
C |
C4C |
N |
Y |
N |
0 |
-0.991 |
-0.019 |
1.399 |
20 |
C5C |
C |
C5C |
N |
Y |
N |
0 |
-1.306 |
-0.019 |
0.076 |
21 |
C1D |
C |
C1D |
N |
Y |
N |
0 |
-0.581 |
-0.024 |
4.491 |
22 |
C6D |
C |
C6D |
N |
Y |
N |
0 |
-0.367 |
0.749 |
5.632 |
23 |
C5D |
C |
C5D |
N |
Y |
N |
0 |
0.87 |
0.75 |
6.24 |
24 |
C4D |
C |
C4D |
N |
Y |
N |
0 |
1.9 |
-0.015 |
5.721 |
25 |
C3D |
C |
C3D |
N |
Y |
N |
0 |
1.694 |
-0.785 |
4.589 |
26 |
C2D |
C |
C2D |
N |
Y |
N |
0 |
0.458 |
-0.797 |
3.976 |
27 |
BR27 |
BR |
BR27 |
N |
N |
N |
0 |
3.594 |
-0.01 |
6.56 |
28 |
C1E |
C |
C1E |
N |
N |
N |
0 |
2.176 |
1.298 |
-8.802 |
29 |
H3A1 |
H |
1H3A |
N |
N |
N |
0 |
3.69 |
-0.958 |
-12.72 |
30 |
H3A2 |
H |
2H3A |
N |
N |
N |
0 |
2.07 |
-1.777 |
-12.267 |
31 |
H2A |
H |
H2A |
N |
N |
N |
0 |
3.209 |
0.829 |
-11.209 |
32 |
H1A1 |
H |
1H1A |
N |
N |
N |
0 |
0.651 |
-0.883 |
-10.778 |
33 |
H1A2 |
H |
2H1A |
N |
N |
N |
0 |
0.643 |
0.896 |
-10.776 |
34 |
H1B1 |
H |
1H1B |
N |
N |
N |
0 |
-0.317 |
0.888 |
-8.657 |
35 |
H1B2 |
H |
2H1B |
N |
N |
N |
0 |
-0.309 |
-0.891 |
-8.659 |
36 |
H2B1 |
H |
1H2B |
N |
N |
N |
0 |
1.076 |
-0.887 |
-6.603 |
37 |
H2B2 |
H |
2H2B |
N |
N |
N |
0 |
1.067 |
0.892 |
-6.6 |
38 |
H3B1 |
H |
1H3B |
N |
N |
N |
0 |
-1.404 |
0.88 |
-6.407 |
39 |
H3B2 |
H |
2H3B |
N |
N |
N |
0 |
-1.395 |
-0.899 |
-6.409 |
40 |
H4B1 |
H |
1H4B |
N |
N |
N |
0 |
-0.01 |
-0.896 |
-4.353 |
41 |
H4B2 |
H |
2H4B |
N |
N |
N |
0 |
-0.018 |
0.883 |
-4.35 |
42 |
H5B1 |
H |
1H5B |
N |
N |
N |
0 |
-2.49 |
0.871 |
-4.157 |
43 |
H5B2 |
H |
2H5B |
N |
N |
N |
0 |
-2.482 |
-0.908 |
-4.16 |
44 |
H6B1 |
H |
1H6B |
N |
N |
N |
0 |
-1.096 |
-0.904 |
-2.103 |
45 |
H6B2 |
H |
2H6B |
N |
N |
N |
0 |
-1.105 |
0.875 |
-2.101 |
46 |
H7C |
H |
H7C |
N |
N |
N |
0 |
-4.685 |
-0.029 |
0.257 |
47 |
H4C |
H |
H4C |
N |
N |
N |
0 |
0.045 |
-0.015 |
1.702 |
48 |
H5C |
H |
H5C |
N |
N |
N |
0 |
-0.511 |
-0.014 |
-0.655 |
49 |
H6D |
H |
H6D |
N |
N |
N |
0 |
-1.169 |
1.347 |
6.037 |
50 |
H5D |
H |
H5D |
N |
N |
N |
0 |
1.037 |
1.348 |
7.123 |
51 |
H3D |
H |
H3D |
N |
N |
N |
0 |
2.5 |
-1.381 |
4.188 |
52 |
H2D |
H |
H2D |
N |
N |
N |
0 |
0.298 |
-1.399 |
3.093 |
53 |
H1F1 |
H |
1H1F |
N |
N |
N |
0 |
3.139 |
1.351 |
-9.31 |
54 |
H1F2 |
H |
2H1F |
N |
N |
N |
0 |
1.535 |
2.108 |
-9.15 |
55 |
H1F3 |
H |
3H1F |
N |
N |
N |
0 |
2.327 |
1.392 |
-7.726 |
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