FY6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O18 | C16 | sing | 1.43Å | 1.42Å | |
C16 | C11 | sing | 1.51Å | 1.48Å | |
C16 | C17 | sing | 1.53Å | 1.52Å | |
N12 | C11 | doub | 1.30Å | 1.34Å | Aromatic |
N12 | C13 | sing | 1.34Å | 1.34Å | Aromatic |
C11 | N10 | sing | 1.35Å | 1.34Å | Aromatic |
C13 | C14 | doub | 1.35Å | 1.37Å | Aromatic |
N10 | C14 | sing | 1.37Å | 1.34Å | Aromatic |
N10 | C9 | sing | 1.47Å | 1.46Å | |
C9 | C8 | sing | 1.53Å | 1.52Å | |
C8 | C7 | sing | 1.53Å | 1.51Å | |
C7 | C4 | sing | 1.51Å | 1.50Å | |
C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
C6 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
C1 | CL1 | sing | 1.74Å | 1.78Å | |
C2 | H1 | sing | 1.08Å | 1.08Å | |
C3 | H2 | sing | 1.08Å | 1.08Å | |
C5 | H3 | sing | 1.08Å | 1.08Å | |
C6 | H4 | sing | 1.08Å | 1.08Å | |
C7 | H5 | sing | 1.09Å | 1.10Å | |
C7 | H6 | sing | 1.09Å | 1.10Å | |
C8 | H7 | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C9 | H10 | sing | 1.09Å | 1.10Å | |
C13 | H11 | sing | 1.08Å | 1.08Å | |
C14 | H12 | sing | 1.08Å | 1.08Å | |
C16 | H13 | sing | 1.09Å | 1.10Å | |
C17 | H14 | sing | 1.09Å | 1.10Å | |
C17 | H15 | sing | 1.09Å | 1.10Å | |
C17 | H16 | sing | 1.09Å | 1.10Å | |
O18 | H17 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O18 | C16 | C11 | 111.6° | 109.5° |
O18 | C16 | C17 | 104.8° | 109.5° |
O18 | C16 | H13 | 110.4° | 109.5° |
C16 | O18 | H17 | 109.5° | 114.0° |
C11 | C16 | C17 | 111.2° | 109.5° |
C16 | C11 | N12 | 124.0° | 125.7° |
C16 | C11 | N10 | 129.0° | 125.6° |
C11 | C16 | H13 | 109.6° | 109.5° |
C17 | C16 | H13 | 109.1° | 109.4° |
C16 | C17 | H14 | 109.5° | 109.5° |
C16 | C17 | H15 | 109.5° | 109.5° |
C16 | C17 | H16 | 109.5° | 109.5° |
C11 | N12 | C13 | 109.2° | 109.3° |
N12 | C11 | N10 | 107.0° | 108.7° |
N12 | C13 | C14 | 107.2° | 108.0° |
N12 | C13 | H11 | 126.4° | 126.0° |
C11 | N10 | C14 | 109.4° | 107.2° |
C11 | N10 | C9 | 128.5° | 126.4° |
C13 | C14 | N10 | 107.2° | 106.8° |
C14 | C13 | H11 | 126.4° | 126.0° |
C13 | C14 | H12 | 126.4° | 126.6° |
C14 | N10 | C9 | 122.1° | 126.4° |
N10 | C14 | H12 | 126.4° | 126.6° |
N10 | C9 | C8 | 106.8° | 109.4° |
N10 | C9 | H9 | 110.1° | 109.5° |
N10 | C9 | H10 | 110.1° | 109.5° |
C9 | C8 | C7 | 109.9° | 109.4° |
C9 | C8 | H7 | 109.4° | 109.5° |
C9 | C8 | H8 | 109.3° | 109.4° |
C8 | C9 | H9 | 110.1° | 109.5° |
C8 | C9 | H10 | 110.1° | 109.4° |
C8 | C7 | C4 | 113.0° | 109.4° |
C8 | C7 | H5 | 108.6° | 109.4° |
C8 | C7 | H6 | 108.6° | 109.4° |
C7 | C8 | H7 | 109.4° | 109.5° |
C7 | C8 | H8 | 109.4° | 109.5° |
C7 | C4 | C3 | 116.4° | 120.0° |
C7 | C4 | C5 | 122.8° | 120.0° |
C4 | C7 | H5 | 108.6° | 109.5° |
C4 | C7 | H6 | 108.6° | 109.5° |
C3 | C4 | C5 | 120.8° | 120.0° |
C4 | C3 | C2 | 120.1° | 120.0° |
C4 | C3 | H2 | 120.0° | 120.0° |
C4 | C5 | C6 | 119.0° | 119.9° |
C4 | C5 | H3 | 120.5° | 120.0° |
C3 | C2 | C1 | 119.0° | 120.0° |
C3 | C2 | H1 | 120.5° | 120.0° |
C2 | C3 | H2 | 120.0° | 120.0° |
C5 | C6 | C1 | 119.8° | 120.1° |
C6 | C5 | H3 | 120.5° | 120.0° |
C5 | C6 | H4 | 120.1° | 119.9° |
C2 | C1 | C6 | 121.2° | 119.9° |
C2 | C1 | CL1 | 119.4° | 120.0° |
C1 | C2 | H1 | 120.5° | 120.0° |
C6 | C1 | CL1 | 119.3° | 120.1° |
C1 | C6 | H4 | 120.1° | 120.0° |
H5 | C7 | H6 | 109.5° | 109.5° |
H7 | C8 | H8 | 109.5° | 109.5° |
H9 | C9 | H10 | 109.5° | 109.5° |
H14 | C17 | H15 | 109.5° | 109.5° |
H14 | C17 | H16 | 109.4° | 109.5° |
H15 | C17 | H16 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O18 | C16 | C11 | C17 | 116.7° | 120.0° |
O18 | C16 | C11 | H13 | 122.7° | 120.1° |
O18 | C16 | C17 | H13 | 118.3° | 120.0° |
O18 | C16 | C11 | N12 | 12.8° | 45.0° |
O18 | C16 | C11 | N10 | 167.2° | 135.0° |
O18 | C16 | C17 | H14 | 180.0° | 180.0° |
O18 | C16 | C17 | H15 | 60.0° | 59.9° |
O18 | C16 | C17 | H16 | 60.0° | 60.0° |
C11 | C16 | C17 | H13 | 121.0° | 120.0° |
C16 | C11 | N12 | N10 | 180.0° | 179.9° |
C16 | C11 | N12 | C13 | 179.9° | 179.9° |
C16 | C11 | N10 | C14 | 179.9° | 180.0° |
C16 | C11 | N10 | C9 | 0.1° | 0.3° |
C11 | C16 | C17 | H14 | 59.2° | 60.0° |
C11 | C16 | C17 | H15 | 179.3° | 179.9° |
C11 | C16 | C17 | H16 | 60.7° | 60.0° |
C11 | C16 | O18 | H17 | 180.0° | 60.0° |
C17 | C16 | C11 | N12 | 129.4° | 75.0° |
C17 | C16 | C11 | N10 | 50.6° | 104.9° |
C16 | C17 | H14 | H15 | 120.0° | 120.0° |
C16 | C17 | H14 | H16 | 120.0° | 120.0° |
C16 | C17 | H15 | H16 | 120.0° | 119.9° |
C17 | C16 | O18 | H17 | 59.6° | 60.1° |
C11 | N12 | C13 | C14 | 0.0° | 0.0° |
N12 | C11 | N10 | C14 | 0.1° | 0.0° |
N12 | C11 | N10 | C9 | 179.9° | 179.7° |
C11 | N12 | C13 | H11 | 180.0° | 180.0° |
N12 | C11 | C16 | H13 | 109.9° | 165.1° |
C13 | N12 | C11 | N10 | 0.1° | 0.0° |
N12 | C13 | C14 | H11 | 180.0° | 180.0° |
N12 | C13 | C14 | N10 | 0.0° | 0.0° |
N12 | C13 | C14 | H12 | 180.0° | 179.7° |
C11 | N10 | C14 | C13 | 0.1° | 0.0° |
C11 | N10 | C14 | C9 | 179.8° | 179.7° |
C11 | N10 | C9 | C8 | 101.1° | 85.3° |
C11 | N10 | C9 | H9 | 139.3° | 34.7° |
C11 | N10 | C9 | H10 | 18.5° | 154.7° |
C11 | N10 | C14 | H12 | 179.9° | 179.7° |
N10 | C11 | C16 | H13 | 70.1° | 15.0° |
C13 | C14 | N10 | H12 | 180.0° | 179.8° |
C13 | C14 | N10 | C9 | 179.9° | 179.7° |
C14 | N10 | C9 | C8 | 78.7° | 95.0° |
C14 | N10 | C9 | H9 | 40.9° | 144.9° |
C14 | N10 | C9 | H10 | 161.8° | 24.9° |
N10 | C14 | C13 | H11 | 179.9° | 180.0° |
N10 | C9 | C8 | H9 | 119.6° | 120.0° |
N10 | C9 | C8 | H10 | 119.6° | 119.9° |
N10 | C9 | C8 | C7 | 147.6° | 180.0° |
N10 | C9 | C8 | H7 | 92.3° | 60.0° |
N10 | C9 | C8 | H8 | 27.6° | 60.1° |
N10 | C9 | H9 | H10 | 121.2° | 120.0° |
C9 | N10 | C14 | H12 | 0.1° | 0.0° |
C9 | C8 | C7 | H7 | 120.1° | 120.0° |
C9 | C8 | C7 | H8 | 120.0° | 119.9° |
C9 | C8 | C7 | C4 | 157.5° | 180.0° |
C9 | C8 | C7 | H5 | 37.0° | 60.0° |
C9 | C8 | C7 | H6 | 82.0° | 60.0° |
C9 | C8 | H7 | H8 | 119.8° | 120.0° |
C8 | C9 | H9 | H10 | 121.2° | 120.0° |
C8 | C7 | C4 | H5 | 120.5° | 119.9° |
C8 | C7 | C4 | H6 | 120.5° | 119.9° |
C8 | C7 | C4 | C3 | 173.1° | 90.0° |
C8 | C7 | C4 | C5 | 7.1° | 90.0° |
C8 | C7 | H5 | H6 | 118.4° | 120.0° |
C7 | C8 | H7 | H8 | 119.8° | 120.0° |
C7 | C8 | C9 | H9 | 28.0° | 60.0° |
C7 | C8 | C9 | H10 | 92.8° | 60.0° |
C7 | C4 | C3 | C5 | 179.8° | 180.0° |
C7 | C4 | C3 | C2 | 179.8° | 180.0° |
C7 | C4 | C5 | C6 | 180.0° | 179.7° |
C7 | C4 | C3 | H2 | 0.1° | 0.0° |
C7 | C4 | C5 | H3 | 0.1° | 0.0° |
C4 | C7 | H5 | H6 | 118.4° | 120.1° |
C4 | C7 | C8 | H7 | 82.4° | 60.0° |
C4 | C7 | C8 | H8 | 37.4° | 60.0° |
C4 | C3 | C2 | H2 | 180.0° | 180.0° |
C3 | C4 | C5 | C6 | 0.3° | 0.3° |
C4 | C3 | C2 | C1 | 0.1° | 0.0° |
C4 | C3 | C2 | H1 | 179.9° | 179.9° |
C3 | C4 | C5 | H3 | 179.7° | 180.0° |
C3 | C4 | C7 | H5 | 52.6° | 150.1° |
C3 | C4 | C7 | H6 | 66.4° | 30.0° |
C5 | C4 | C3 | C2 | 0.0° | 0.0° |
C4 | C5 | C6 | H3 | 180.0° | 179.7° |
C4 | C5 | C6 | C1 | 0.3° | 0.6° |
C5 | C4 | C3 | H2 | 180.0° | 180.0° |
C4 | C5 | C6 | H4 | 179.7° | 180.0° |
C5 | C4 | C7 | H5 | 127.6° | 29.9° |
C5 | C4 | C7 | H6 | 113.4° | 150.0° |
C3 | C2 | C1 | H1 | 180.0° | 179.9° |
C3 | C2 | C1 | C6 | 0.0° | 0.3° |
C3 | C2 | C1 | CL1 | 179.6° | 180.0° |
C5 | C6 | C1 | C2 | 0.2° | 0.6° |
C5 | C6 | C1 | H4 | 180.0° | 179.4° |
C5 | C6 | C1 | CL1 | 179.8° | 179.7° |
C2 | C1 | C6 | CL1 | 179.6° | 179.7° |
C1 | C2 | C3 | H2 | 179.9° | 180.0° |
C2 | C1 | C6 | H4 | 179.8° | 180.0° |
C6 | C1 | C2 | H1 | 180.0° | 179.8° |
C1 | C6 | C5 | H3 | 179.6° | 179.7° |
CL1 | C1 | C2 | H1 | 0.5° | 0.0° |
CL1 | C1 | C6 | H4 | 0.2° | 0.3° |
H1 | C2 | C3 | H2 | 0.1° | 0.1° |
H3 | C5 | C6 | H4 | 0.4° | 0.3° |
H5 | C7 | C8 | H7 | 157.0° | 180.0° |
H5 | C7 | C8 | H8 | 83.1° | 59.9° |
H6 | C7 | C8 | H7 | 38.1° | 60.0° |
H6 | C7 | C8 | H8 | 157.9° | 180.0° |
H7 | C8 | C9 | H9 | 148.1° | 180.0° |
H7 | C8 | C9 | H10 | 27.3° | 60.0° |
H8 | C8 | C9 | H9 | 92.0° | 59.9° |
H8 | C8 | C9 | H10 | 147.1° | NaN° |
H11 | C13 | C14 | H12 | 0.1° | 0.2° |
H13 | C16 | C17 | H14 | 61.7° | 60.0° |
H13 | C16 | C17 | H15 | 58.3° | 60.1° |
H13 | C16 | C17 | H16 | 178.3° | 180.0° |
H13 | C16 | O18 | H17 | 57.9° | 180.0° |
H14 | C17 | H15 | H16 | 119.9° | 120.0° |