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PDBeChem : Atoms of Molecule
Molecule : BRL
Atoms of a chemical element, that composes a molecule
Total Number of Atoms: 44
Record |
Atom Name |
Symbol |
PDB Name |
Stereochemistry |
Is Aromatic |
Is Leaving Atom |
Charge |
X-Coordinate |
Y-Coordinate |
Z-Coordinate |
1 |
S1 |
S |
S1 |
N |
N |
N |
0 |
-1.069 |
-0.616 |
4.021 |
2 |
O2 |
O |
O2 |
N |
N |
N |
0 |
-2.612 |
-0.429 |
6.243 |
3 |
O4 |
O |
O4 |
N |
N |
N |
0 |
1.772 |
0.669 |
6.138 |
4 |
O13 |
O |
O13 |
N |
N |
N |
0 |
0.394 |
-0.497 |
-2.144 |
5 |
N3 |
N |
N3 |
N |
N |
N |
0 |
-0.383 |
0.153 |
6.278 |
6 |
N16 |
N |
N16 |
N |
N |
N |
0 |
1.174 |
-0.291 |
-4.871 |
7 |
N18 |
N |
N18 |
N |
Y |
N |
0 |
-1.094 |
-0.813 |
-4.574 |
8 |
C2 |
C |
C2 |
N |
N |
N |
0 |
-1.525 |
-0.287 |
5.717 |
9 |
C4 |
C |
C4 |
N |
N |
N |
0 |
0.755 |
0.27 |
5.614 |
10 |
C5 |
C |
C5 |
S |
N |
N |
0 |
0.697 |
-0.129 |
4.147 |
11 |
C6 |
C |
C6 |
N |
N |
N |
0 |
1.013 |
1.056 |
3.233 |
12 |
C7 |
C |
C7 |
N |
Y |
N |
0 |
0.847 |
0.64 |
1.794 |
13 |
C8 |
C |
C8 |
N |
Y |
N |
0 |
-0.378 |
0.784 |
1.171 |
14 |
C9 |
C |
C9 |
N |
Y |
N |
0 |
-0.532 |
0.403 |
-0.147 |
15 |
C10 |
C |
C10 |
N |
Y |
N |
0 |
0.544 |
-0.122 |
-0.846 |
16 |
C11 |
C |
C11 |
N |
Y |
N |
0 |
1.771 |
-0.27 |
-0.217 |
17 |
C12 |
C |
C12 |
N |
Y |
N |
0 |
1.922 |
0.116 |
1.1 |
18 |
C14 |
C |
C14 |
N |
N |
N |
0 |
1.662 |
-0.992 |
-2.579 |
19 |
C15 |
C |
C15 |
N |
N |
N |
0 |
1.563 |
-1.434 |
-4.041 |
20 |
C16 |
C |
C16 |
N |
N |
N |
0 |
2.203 |
0.571 |
-5.457 |
21 |
C17 |
C |
C17 |
N |
Y |
N |
0 |
-0.17 |
-0.026 |
-5.102 |
22 |
C19 |
C |
C19 |
N |
Y |
N |
0 |
-2.381 |
-0.593 |
-4.764 |
23 |
C20 |
C |
C20 |
N |
Y |
N |
0 |
-2.812 |
0.467 |
-5.536 |
24 |
C21 |
C |
C21 |
N |
Y |
N |
0 |
-1.874 |
1.313 |
-6.113 |
25 |
C22 |
C |
C22 |
N |
Y |
N |
0 |
-0.532 |
1.06 |
-5.891 |
26 |
HN3 |
H |
HN3 |
N |
N |
N |
0 |
-0.396 |
0.397 |
7.217 |
27 |
H5 |
H |
H5 |
N |
N |
N |
0 |
1.356 |
-0.972 |
3.939 |
28 |
H61 |
H |
1H6 |
N |
N |
N |
0 |
2.04 |
1.381 |
3.402 |
29 |
H62 |
H |
2H6 |
N |
N |
N |
0 |
0.331 |
1.877 |
3.455 |
30 |
H8 |
H |
H8 |
N |
N |
N |
0 |
-1.215 |
1.194 |
1.716 |
31 |
H9 |
H |
H9 |
N |
N |
N |
0 |
-1.489 |
0.516 |
-0.634 |
32 |
H11 |
H |
H11 |
N |
N |
N |
0 |
2.61 |
-0.68 |
-0.759 |
33 |
H12 |
H |
H12 |
N |
N |
N |
0 |
2.878 |
0.004 |
1.589 |
34 |
H141 |
H |
1H14 |
N |
N |
N |
0 |
1.952 |
-1.843 |
-1.962 |
35 |
H142 |
H |
2H14 |
N |
N |
N |
0 |
2.411 |
-0.205 |
-2.487 |
36 |
H151 |
H |
1H15 |
N |
N |
N |
0 |
0.814 |
-2.221 |
-4.132 |
37 |
H152 |
H |
2H15 |
N |
N |
N |
0 |
2.53 |
-1.812 |
-4.373 |
38 |
H161 |
H |
1H16 |
N |
N |
N |
0 |
3.189 |
0.209 |
-5.168 |
39 |
H162 |
H |
2H16 |
N |
N |
N |
0 |
2.114 |
0.555 |
-6.543 |
40 |
H163 |
H |
3H16 |
N |
N |
N |
0 |
2.07 |
1.591 |
-5.096 |
41 |
H19 |
H |
H19 |
N |
N |
N |
0 |
-3.107 |
-1.253 |
-4.314 |
42 |
H20 |
H |
H20 |
N |
N |
N |
0 |
-3.867 |
0.636 |
-5.69 |
43 |
H21 |
H |
H21 |
N |
N |
N |
0 |
-2.185 |
2.149 |
-6.721 |
44 |
H22 |
H |
H22 |
N |
N |
N |
0 |
0.223 |
1.699 |
-6.325 |
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