4VU
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C14 | C12 | sing | 1.53Å | 1.50Å | |
C14 | C13 | sing | 1.53Å | 1.51Å | |
C11 | C12 | sing | 1.53Å | 1.51Å | |
C11 | C9 | sing | 1.53Å | 1.51Å | |
C12 | C10 | sing | 1.53Å | 1.51Å | |
C9 | N1 | sing | 1.47Å | 1.48Å | |
C13 | N1 | sing | 1.47Å | 1.48Å | |
N1 | C7 | sing | 1.47Å | 1.49Å | |
C10 | C7 | sing | 1.53Å | 1.51Å | |
C7 | C5 | sing | 1.51Å | 1.50Å | |
C5 | C6 | doub | 1.39Å | 1.37Å | Aromatic |
C5 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
C6 | C1 | sing | 1.39Å | 1.37Å | Aromatic |
C4 | N2 | doub | 1.32Å | 1.33Å | Aromatic |
C1 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
N2 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
C1 | H1 | sing | 1.08Å | 1.08Å | |
C2 | H3 | sing | 1.08Å | 1.08Å | |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C6 | H5 | sing | 1.08Å | 1.08Å | |
C7 | H6 | sing | 1.09Å | 1.10Å | |
C9 | H17 | sing | 1.09Å | 1.10Å | |
C9 | H16 | sing | 1.09Å | 1.10Å | |
C10 | H8 | sing | 1.09Å | 1.10Å | |
C10 | H7 | sing | 1.09Å | 1.10Å | |
C11 | H10 | sing | 1.09Å | 1.10Å | |
C11 | H11 | sing | 1.09Å | 1.10Å | |
C12 | H9 | sing | 1.09Å | 1.10Å | |
C13 | H12 | sing | 1.09Å | 1.10Å | |
C13 | H13 | sing | 1.09Å | 1.10Å | |
C14 | H15 | sing | 1.09Å | 1.10Å | |
C14 | H14 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C12 | C14 | C13 | 108.9° | 108.9° |
C14 | C12 | C11 | 106.4° | 108.6° |
C14 | C12 | C10 | 109.1° | 108.6° |
C14 | C12 | H9 | 110.7° | 110.8° |
C12 | C14 | H15 | 109.6° | 109.6° |
C12 | C14 | H14 | 109.6° | 109.6° |
C14 | C13 | N1 | 108.0° | 109.3° |
C14 | C13 | H12 | 109.8° | 109.5° |
C14 | C13 | H13 | 109.8° | 109.5° |
C13 | C14 | H15 | 109.6° | 109.6° |
C13 | C14 | H14 | 109.6° | 109.6° |
C12 | C11 | C9 | 108.3° | 108.9° |
C11 | C12 | C10 | 109.4° | 108.6° |
C12 | C11 | H10 | 109.8° | 109.6° |
C12 | C11 | H11 | 109.7° | 109.6° |
C11 | C12 | H9 | 110.6° | 110.1° |
C11 | C9 | N1 | 107.9° | 109.3° |
C11 | C9 | H17 | 109.8° | 109.5° |
C11 | C9 | H16 | 109.9° | 109.6° |
C9 | C11 | H10 | 109.8° | 109.5° |
C9 | C11 | H11 | 109.8° | 109.6° |
C12 | C10 | C7 | 107.8° | 108.8° |
C12 | C10 | H8 | 109.9° | 109.6° |
C12 | C10 | H7 | 109.9° | 109.7° |
C10 | C12 | H9 | 110.6° | 110.1° |
C9 | N1 | C13 | 106.6° | 111.0° |
C9 | N1 | C7 | 107.6° | 111.0° |
N1 | C9 | H17 | 109.9° | 109.5° |
N1 | C9 | H16 | 109.9° | 109.5° |
C13 | N1 | C7 | 114.8° | 111.1° |
N1 | C13 | H12 | 109.8° | 109.5° |
N1 | C13 | H13 | 109.8° | 109.5° |
N1 | C7 | C10 | 106.8° | 109.3° |
N1 | C7 | C5 | 115.9° | 109.5° |
N1 | C7 | H6 | 107.8° | 109.5° |
C10 | C7 | C5 | 110.7° | 109.5° |
C10 | C7 | H6 | 107.6° | 109.5° |
C7 | C10 | H8 | 109.9° | 109.5° |
C7 | C10 | H7 | 109.9° | 109.5° |
C7 | C5 | C6 | 123.5° | 120.5° |
C7 | C5 | C4 | 118.8° | 120.4° |
C5 | C7 | H6 | 107.7° | 109.5° |
C6 | C5 | C4 | 117.6° | 119.1° |
C5 | C6 | C1 | 118.7° | 118.5° |
C5 | C6 | H5 | 120.6° | 120.7° |
C5 | C4 | N2 | 125.5° | 120.8° |
C5 | C4 | H4 | 117.2° | 119.6° |
C6 | C1 | C2 | 118.8° | 119.2° |
C6 | C1 | H1 | 120.6° | 120.4° |
C1 | C6 | H5 | 120.6° | 120.8° |
C4 | N2 | C2 | 114.9° | 121.7° |
N2 | C4 | H4 | 117.2° | 119.6° |
C1 | C2 | N2 | 124.4° | 120.7° |
C2 | C1 | H1 | 120.6° | 120.4° |
C1 | C2 | H3 | 117.8° | 119.7° |
N2 | C2 | H3 | 117.8° | 119.6° |
H17 | C9 | H16 | 109.4° | 109.5° |
H8 | C10 | H7 | 109.5° | 109.6° |
H10 | C11 | H11 | 109.5° | 109.6° |
H12 | C13 | H13 | 109.5° | 109.5° |
H15 | C14 | H14 | 109.5° | 109.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C12 | C14 | C13 | H15 | 119.9° | 119.8° |
C12 | C14 | C13 | H14 | 119.9° | 119.8° |
C14 | C12 | C11 | C10 | 117.7° | 117.9° |
C14 | C12 | C11 | H9 | 120.3° | 121.5° |
C14 | C12 | C11 | C9 | 48.0° | 58.9° |
C14 | C12 | C10 | H9 | 121.9° | 121.5° |
C12 | C14 | C13 | N1 | 18.1° | 0.1° |
C14 | C12 | C10 | C7 | 74.1° | 59.0° |
C14 | C12 | C10 | H8 | 45.6° | 178.7° |
C14 | C12 | C10 | H7 | 166.1° | 60.9° |
C14 | C12 | C11 | H10 | 167.9° | 60.9° |
C14 | C12 | C11 | H11 | 71.8° | 178.8° |
C12 | C14 | C13 | H12 | 137.8° | 120.1° |
C12 | C14 | C13 | H13 | 101.7° | 119.9° |
C12 | C14 | H15 | H14 | 120.3° | 120.3° |
C13 | C14 | C12 | C11 | 70.8° | 58.9° |
C13 | C14 | C12 | C10 | 47.1° | 59.0° |
C14 | C13 | N1 | C9 | 51.6° | 62.1° |
C14 | C13 | N1 | H12 | 119.8° | 120.0° |
C14 | C13 | N1 | H13 | 119.8° | 119.9° |
C14 | C13 | N1 | C7 | 67.5° | 62.0° |
C13 | C14 | C12 | H9 | 169.0° | 180.0° |
C14 | C13 | H12 | H13 | 120.7° | 120.0° |
C13 | C14 | H15 | H14 | 120.3° | 120.3° |
C12 | C11 | C9 | H10 | 119.8° | 119.8° |
C12 | C11 | C9 | H11 | 119.8° | 119.9° |
C11 | C12 | C10 | H9 | 122.0° | 120.6° |
C12 | C11 | C9 | N1 | 20.3° | 0.1° |
C11 | C12 | C10 | C7 | 41.9° | 59.0° |
C12 | C11 | C9 | H17 | 140.1° | 119.9° |
C12 | C11 | C9 | H16 | 99.5° | 120.0° |
C11 | C12 | C10 | H8 | 161.6° | 60.8° |
C11 | C12 | C10 | H7 | 77.9° | 178.8° |
C12 | C11 | H10 | H11 | 120.5° | 120.3° |
C11 | C12 | C14 | H15 | 49.1° | 60.9° |
C11 | C12 | C14 | H14 | 169.3° | 178.7° |
C9 | C11 | C12 | C10 | 69.7° | 59.0° |
C11 | C9 | N1 | H17 | 119.8° | 120.0° |
C11 | C9 | N1 | H16 | 119.8° | 120.0° |
C11 | C9 | N1 | C13 | 74.5° | 62.1° |
C11 | C9 | N1 | C7 | 49.1° | 62.0° |
C11 | C9 | H17 | H16 | 120.7° | 120.1° |
C9 | C11 | H10 | H11 | 120.5° | 120.3° |
C9 | C11 | C12 | H9 | 168.3° | 179.6° |
C12 | C10 | C7 | N1 | 26.7° | 0.0° |
C12 | C10 | C7 | H8 | 119.7° | 119.8° |
C12 | C10 | C7 | H7 | 119.7° | 120.0° |
C12 | C10 | C7 | C5 | 153.7° | 120.0° |
C12 | C10 | C7 | H6 | 88.8° | 120.0° |
C12 | C10 | H8 | H7 | 120.8° | 120.5° |
C10 | C12 | C11 | H10 | 50.2° | 178.8° |
C10 | C12 | C11 | H11 | 170.5° | 60.8° |
C10 | C12 | C14 | H15 | 167.0° | 178.8° |
C10 | C12 | C14 | H14 | 72.8° | 60.8° |
C9 | N1 | C13 | C7 | 119.1° | 124.0° |
C9 | N1 | C7 | C10 | 77.5° | 62.0° |
C9 | N1 | C7 | C5 | 158.6° | 178.0° |
C9 | N1 | C7 | H6 | 37.9° | 58.0° |
N1 | C9 | H17 | H16 | 120.7° | 120.0° |
N1 | C9 | C11 | H10 | 99.6° | 119.9° |
N1 | C9 | C11 | H11 | 140.1° | 119.8° |
C9 | N1 | C13 | H12 | 68.2° | 178.0° |
C9 | N1 | C13 | H13 | 171.4° | 57.9° |
C13 | N1 | C7 | C10 | 41.0° | 62.0° |
C13 | N1 | C7 | C5 | 82.9° | 58.0° |
C13 | N1 | C7 | H6 | 156.4° | 178.0° |
C13 | N1 | C9 | H17 | 165.7° | 57.9° |
C13 | N1 | C9 | H16 | 45.3° | 177.9° |
N1 | C13 | H12 | H13 | 120.7° | 120.1° |
N1 | C13 | C14 | H15 | 101.8° | 119.9° |
N1 | C13 | C14 | H14 | 138.0° | 119.8° |
N1 | C7 | C10 | C5 | 127.1° | 119.9° |
N1 | C7 | C10 | H6 | 115.5° | 120.0° |
N1 | C7 | C5 | H6 | 120.8° | 120.1° |
N1 | C7 | C5 | C6 | 60.6° | 150.7° |
N1 | C7 | C5 | C4 | 119.9° | 29.8° |
C7 | N1 | C9 | H17 | 70.6° | 178.1° |
C7 | N1 | C9 | H16 | 168.9° | 58.0° |
N1 | C7 | C10 | H8 | 93.1° | 119.8° |
N1 | C7 | C10 | H7 | 146.4° | 119.9° |
C7 | N1 | C13 | H12 | 172.8° | 58.0° |
C7 | N1 | C13 | H13 | 52.3° | 178.1° |
C10 | C7 | C5 | H6 | 117.4° | 120.1° |
C10 | C7 | C5 | C6 | 61.2° | 30.9° |
C10 | C7 | C5 | C4 | 118.3° | 149.6° |
C7 | C10 | H8 | H7 | 120.7° | 120.2° |
C7 | C10 | C12 | H9 | 163.9° | 179.6° |
C7 | C5 | C6 | C4 | 179.6° | 179.5° |
C7 | C5 | C6 | C1 | 179.8° | 180.0° |
C7 | C5 | C4 | N2 | 179.7° | 179.8° |
C7 | C5 | C4 | H4 | 0.3° | 0.3° |
C7 | C5 | C6 | H5 | 0.2° | 0.5° |
C5 | C7 | C10 | H8 | 34.0° | 120.2° |
C5 | C7 | C10 | H7 | 86.5° | 0.0° |
C5 | C6 | C1 | H5 | 180.0° | 179.5° |
C6 | C5 | C4 | N2 | 0.2° | 0.3° |
C5 | C6 | C1 | C2 | 0.1° | 0.6° |
C5 | C6 | C1 | H1 | 179.9° | 179.8° |
C6 | C5 | C4 | H4 | 179.9° | 179.8° |
C6 | C5 | C7 | H6 | 178.6° | 89.2° |
C4 | C5 | C6 | C1 | 0.2° | 0.5° |
C5 | C4 | N2 | H4 | 180.0° | 179.9° |
C5 | C4 | N2 | C2 | 0.0° | 0.1° |
C4 | C5 | C6 | H5 | 179.8° | 180.0° |
C4 | C5 | C7 | H6 | 1.0° | 90.3° |
C6 | C1 | C2 | H1 | 180.0° | 179.7° |
C6 | C1 | C2 | N2 | 0.1° | 0.4° |
C6 | C1 | C2 | H3 | 179.9° | 179.8° |
C4 | N2 | C2 | C1 | 0.1° | 0.1° |
C4 | N2 | C2 | H3 | 179.9° | 180.0° |
C1 | C2 | N2 | H3 | 180.0° | 179.8° |
C2 | C1 | C6 | H5 | 179.9° | 180.0° |
N2 | C2 | C1 | H1 | 179.9° | 180.0° |
C2 | N2 | C4 | H4 | 180.0° | 180.0° |
H1 | C1 | C2 | H3 | 0.1° | 0.1° |
H1 | C1 | C6 | H5 | 0.1° | 0.3° |
H6 | C7 | C10 | H8 | 151.4° | 0.2° |
H6 | C7 | C10 | H7 | 30.9° | 120.1° |
H17 | C9 | C11 | H10 | 20.2° | 0.1° |
H17 | C9 | C11 | H11 | 100.1° | 120.3° |
H16 | C9 | C11 | H10 | 140.7° | 120.1° |
H16 | C9 | C11 | H11 | 20.3° | 0.2° |
H8 | C10 | C12 | H9 | 76.4° | 59.8° |
H7 | C10 | C12 | H9 | 44.2° | 60.6° |
H10 | C11 | C12 | H9 | 71.8° | 60.6° |
H11 | C11 | C12 | H9 | 48.5° | 59.7° |
H9 | C12 | C14 | H15 | 71.1° | 60.2° |
H9 | C12 | C14 | H14 | 49.1° | 60.2° |
H12 | C13 | C14 | H15 | 18.0° | 120.1° |
H12 | C13 | C14 | H14 | 102.3° | 0.2° |
H13 | C13 | C14 | H15 | 138.4° | 0.1° |
H13 | C13 | C14 | H14 | 18.2° | 120.3° |