2YL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
C9 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
C13 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
C12 | C4 | sing | 1.48Å | 1.48Å | |
C4 | N3 | doub | 1.33Å | 1.35Å | |
C4 | N5 | sing | 1.34Å | 1.35Å | |
N3 | C2 | sing | 1.34Å | 1.35Å | |
N5 | C6 | doub | 1.32Å | 1.35Å | |
C2 | O8 | doub | 1.22Å | 1.24Å | |
C2 | N1 | sing | 1.35Å | 1.35Å | |
C6 | N1 | sing | 1.37Å | 1.35Å | |
C6 | N7 | sing | 1.37Å | 1.36Å | |
N7 | H2 | sing | 0.97Å | 1.00Å | |
N7 | H3 | sing | 0.97Å | 1.00Å | |
C9 | H4 | sing | 1.08Å | 1.08Å | |
C10 | H5 | sing | 1.08Å | 1.08Å | |
C11 | H6 | sing | 1.08Å | 1.08Å | |
C13 | H7 | sing | 1.08Å | 1.08Å | |
C14 | H8 | sing | 1.08Å | 1.08Å | |
N1 | H9 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C10 | C9 | C14 | 119.8° | 120.3° |
C9 | C10 | C11 | 119.9° | 120.1° |
C10 | C9 | H4 | 120.1° | 119.9° |
C9 | C10 | H5 | 120.0° | 120.0° |
C9 | C14 | C13 | 120.5° | 120.1° |
C14 | C9 | H4 | 120.1° | 119.9° |
C9 | C14 | H8 | 119.7° | 119.9° |
C10 | C11 | C12 | 119.9° | 119.9° |
C11 | C10 | H5 | 120.1° | 119.9° |
C10 | C11 | H6 | 120.0° | 120.0° |
C14 | C13 | C12 | 119.6° | 119.9° |
C14 | C13 | H7 | 120.2° | 120.0° |
C13 | C14 | H8 | 119.7° | 119.9° |
C11 | C12 | C13 | 120.2° | 119.7° |
C11 | C12 | C4 | 120.5° | 120.1° |
C12 | C11 | H6 | 120.0° | 120.1° |
C13 | C12 | C4 | 119.3° | 120.1° |
C12 | C13 | H7 | 120.2° | 120.1° |
C12 | C4 | N3 | 120.5° | 119.7° |
C12 | C4 | N5 | 119.2° | 119.7° |
N3 | C4 | N5 | 120.3° | 120.7° |
C4 | N3 | C2 | 119.3° | 120.3° |
C4 | N5 | C6 | 120.1° | 120.3° |
N3 | C2 | O8 | 119.7° | 120.1° |
N3 | C2 | N1 | 120.6° | 119.7° |
N5 | C6 | N1 | 119.8° | 119.7° |
N5 | C6 | N7 | 120.2° | 120.2° |
O8 | C2 | N1 | 119.7° | 120.2° |
C2 | N1 | C6 | 119.9° | 119.4° |
C2 | N1 | H9 | 120.1° | 120.3° |
N1 | C6 | N7 | 120.0° | 120.1° |
C6 | N1 | H9 | 120.0° | 120.3° |
C6 | N7 | H2 | 120.0° | 119.9° |
C6 | N7 | H3 | 120.0° | 120.0° |
H2 | N7 | H3 | 120.0° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C10 | C9 | C14 | H4 | 180.0° | 179.7° |
C9 | C10 | C11 | H5 | 180.0° | 179.9° |
C10 | C9 | C14 | C13 | 0.1° | 0.0° |
C9 | C10 | C11 | C12 | 0.1° | 0.1° |
C9 | C10 | C11 | H6 | 179.9° | 179.9° |
C10 | C9 | C14 | H8 | 179.9° | 179.9° |
C14 | C9 | C10 | C11 | 0.1° | 0.0° |
C9 | C14 | C13 | H8 | 180.0° | 179.9° |
C9 | C14 | C13 | C12 | 0.4° | 0.0° |
C14 | C9 | C10 | H5 | 179.9° | 180.0° |
C9 | C14 | C13 | H7 | 179.6° | 180.0° |
C10 | C11 | C12 | H6 | 180.0° | 180.0° |
C10 | C11 | C12 | C13 | 0.4° | 0.1° |
C10 | C11 | C12 | C4 | 179.5° | 180.0° |
C11 | C10 | C9 | H4 | 179.9° | 179.8° |
C14 | C13 | C12 | C11 | 0.6° | 0.0° |
C14 | C13 | C12 | H7 | 180.0° | 180.0° |
C14 | C13 | C12 | C4 | 179.7° | 180.0° |
C13 | C14 | C9 | H4 | 179.9° | 179.7° |
C11 | C12 | C13 | C4 | 179.1° | 179.9° |
C11 | C12 | C4 | N3 | 36.2° | 0.0° |
C11 | C12 | C4 | N5 | 143.0° | 180.0° |
C12 | C11 | C10 | H5 | 179.9° | 180.0° |
C11 | C12 | C13 | H7 | 179.4° | 180.0° |
C13 | C12 | C4 | N3 | 144.8° | 180.0° |
C13 | C12 | C4 | N5 | 36.0° | 0.0° |
C13 | C12 | C11 | H6 | 179.5° | 179.9° |
C12 | C13 | C14 | H8 | 179.6° | 179.9° |
C12 | C4 | N3 | N5 | 179.2° | 180.0° |
C12 | C4 | N3 | C2 | 179.9° | 180.0° |
C12 | C4 | N5 | C6 | 179.4° | 179.7° |
C4 | C12 | C11 | H6 | 0.5° | 0.0° |
C4 | C12 | C13 | H7 | 0.3° | 0.1° |
N3 | C4 | N5 | C6 | 0.2° | 0.3° |
C4 | N3 | C2 | O8 | 179.6° | 179.9° |
C4 | N3 | C2 | N1 | 0.7° | 0.0° |
N5 | C4 | N3 | C2 | 0.7° | 0.0° |
C4 | N5 | C6 | N1 | 0.2° | 0.5° |
C4 | N5 | C6 | N7 | 179.9° | 180.0° |
N3 | C2 | O8 | N1 | 179.6° | 179.9° |
N3 | C2 | N1 | C6 | 0.3° | 0.3° |
N3 | C2 | N1 | H9 | 179.7° | 179.9° |
N5 | C6 | N1 | C2 | 0.1° | 0.6° |
N5 | C6 | N1 | N7 | 179.6° | 179.5° |
N5 | C6 | N7 | H2 | 0.0° | 0.0° |
N5 | C6 | N7 | H3 | 180.0° | 180.0° |
N5 | C6 | N1 | H9 | 179.9° | 179.8° |
O8 | C2 | N1 | C6 | 180.0° | 179.8° |
O8 | C2 | N1 | H9 | 0.0° | 0.2° |
C2 | N1 | C6 | H9 | 180.0° | 179.6° |
C2 | N1 | C6 | N7 | 179.8° | 180.0° |
N1 | C6 | N7 | H2 | 179.6° | 179.4° |
N1 | C6 | N7 | H3 | 0.3° | 0.6° |
C6 | N7 | H2 | H3 | 180.0° | 180.0° |
N7 | C6 | N1 | H9 | 0.2° | 0.4° |
H4 | C9 | C10 | H5 | 0.1° | 0.3° |
H4 | C9 | C14 | H8 | 0.1° | 0.2° |
H5 | C10 | C11 | H6 | 0.1° | 0.0° |
H7 | C13 | C14 | H8 | 0.5° | 0.0° |