OVO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C1 | sing | 1.38Å | 1.33Å | |
C1 | N2 | doub | 1.31Å | 1.36Å | Aromatic |
C1 | O1 | sing | 1.34Å | 1.36Å | Aromatic |
N2 | C2 | sing | 1.36Å | 1.40Å | Aromatic |
O1 | C16 | sing | 1.35Å | 1.36Å | Aromatic |
C2 | C16 | doub | 1.35Å | 1.36Å | Aromatic |
C2 | C3 | sing | 1.48Å | 1.46Å | |
C15 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
C14 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
C6 | C7 | sing | 1.51Å | 1.51Å | |
C7 | C8 | sing | 1.51Å | 1.51Å | |
C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
C8 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
N1 | H1 | sing | 0.97Å | 1.00Å | |
N1 | H2 | sing | 0.97Å | 1.00Å | |
C4 | H3 | sing | 1.08Å | 1.08Å | |
C5 | H4 | sing | 1.08Å | 1.08Å | |
C7 | H5 | sing | 1.09Å | 1.10Å | |
C7 | H6 | sing | 1.09Å | 1.10Å | |
C9 | H7 | sing | 1.08Å | 1.08Å | |
C10 | H8 | sing | 1.08Å | 1.08Å | |
C11 | H9 | sing | 1.08Å | 1.08Å | |
C12 | H10 | sing | 1.08Å | 1.08Å | |
C13 | H11 | sing | 1.08Å | 1.08Å | |
C14 | H12 | sing | 1.08Å | 1.08Å | |
C15 | H13 | sing | 1.08Å | 1.08Å | |
C16 | H14 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N1 | C1 | N2 | 130.3° | 125.6° |
N1 | C1 | O1 | 118.6° | 125.5° |
C1 | N1 | H1 | 109.5° | 120.0° |
C1 | N1 | H2 | 109.5° | 120.0° |
N2 | C1 | O1 | 111.0° | 108.9° |
C1 | N2 | C2 | 104.9° | 108.5° |
C1 | O1 | C16 | 107.0° | 108.1° |
N2 | C2 | C16 | 109.0° | 107.4° |
N2 | C2 | C3 | 119.4° | 126.4° |
O1 | C16 | C2 | 107.9° | 107.1° |
O1 | C16 | H14 | 126.0° | 126.4° |
C16 | C2 | C3 | 131.3° | 126.3° |
C2 | C16 | H14 | 126.0° | 126.5° |
C2 | C3 | C15 | 121.8° | 120.2° |
C2 | C3 | C4 | 119.2° | 120.1° |
C3 | C15 | C14 | 120.1° | 119.9° |
C15 | C3 | C4 | 118.9° | 119.7° |
C3 | C15 | H13 | 119.9° | 120.1° |
C15 | C14 | C6 | 121.3° | 120.1° |
C15 | C14 | H12 | 119.3° | 119.9° |
C14 | C15 | H13 | 119.9° | 120.1° |
C3 | C4 | C5 | 121.0° | 119.9° |
C3 | C4 | H3 | 119.5° | 120.1° |
C14 | C6 | C5 | 118.1° | 120.3° |
C14 | C6 | C7 | 120.7° | 119.9° |
C6 | C14 | H12 | 119.3° | 119.9° |
C4 | C5 | C6 | 120.5° | 120.1° |
C5 | C4 | H3 | 119.5° | 120.1° |
C4 | C5 | H4 | 119.7° | 119.9° |
C5 | C6 | C7 | 121.2° | 119.8° |
C6 | C5 | H4 | 119.7° | 120.0° |
C6 | C7 | C8 | 116.4° | 109.5° |
C6 | C7 | H5 | 107.7° | 109.5° |
C6 | C7 | H6 | 107.7° | 109.5° |
C7 | C8 | C9 | 120.7° | 120.0° |
C7 | C8 | C13 | 121.0° | 120.0° |
C8 | C7 | H5 | 107.7° | 109.4° |
C8 | C7 | H6 | 107.7° | 109.5° |
C8 | C9 | C10 | 120.9° | 120.0° |
C9 | C8 | C13 | 118.2° | 120.0° |
C8 | C9 | H7 | 119.5° | 120.0° |
C9 | C10 | C11 | 120.2° | 120.0° |
C10 | C9 | H7 | 119.5° | 120.0° |
C9 | C10 | H8 | 119.9° | 120.0° |
C8 | C13 | C12 | 121.2° | 120.0° |
C8 | C13 | H11 | 119.4° | 120.1° |
C10 | C11 | C12 | 119.7° | 120.0° |
C11 | C10 | H8 | 119.9° | 120.0° |
C10 | C11 | H9 | 120.2° | 120.0° |
C13 | C12 | C11 | 119.8° | 120.0° |
C13 | C12 | H10 | 120.1° | 120.0° |
C12 | C13 | H11 | 119.4° | 120.0° |
C12 | C11 | H9 | 120.2° | 120.0° |
C11 | C12 | H10 | 120.1° | 120.0° |
H1 | N1 | H2 | 109.5° | 120.0° |
H5 | C7 | H6 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1 | C1 | N2 | O1 | 178.0° | 179.8° |
N1 | C1 | N2 | C2 | 179.7° | 180.0° |
N1 | C1 | O1 | C16 | 178.9° | 179.8° |
C1 | N1 | H1 | H2 | 120.0° | 179.7° |
N2 | C1 | O1 | C16 | 0.6° | 0.4° |
C1 | N2 | C2 | C16 | 2.1° | 0.0° |
C1 | N2 | C2 | C3 | 177.1° | 179.9° |
N2 | C1 | N1 | H1 | 0.0° | 0.0° |
N2 | C1 | N1 | H2 | 120.0° | 179.7° |
O1 | C1 | N2 | C2 | 1.6° | 0.2° |
C1 | O1 | C16 | C2 | 0.8° | 0.4° |
O1 | C1 | N1 | H1 | 177.9° | 179.7° |
O1 | C1 | N1 | H2 | 57.9° | 0.6° |
C1 | O1 | C16 | H14 | 179.2° | 179.8° |
N2 | C2 | C16 | O1 | 1.9° | 0.2° |
N2 | C2 | C16 | C3 | 174.1° | 179.9° |
N2 | C2 | C3 | C15 | 30.2° | 179.7° |
N2 | C2 | C3 | C4 | 144.7° | 0.0° |
N2 | C2 | C16 | H14 | 178.1° | 179.9° |
O1 | C16 | C2 | H14 | 180.0° | 179.9° |
O1 | C16 | C2 | C3 | 176.0° | 179.7° |
C16 | C2 | C3 | C15 | 156.1° | 0.2° |
C16 | C2 | C3 | C4 | 29.0° | 179.9° |
C2 | C3 | C15 | C4 | 174.9° | 179.7° |
C2 | C3 | C15 | C14 | 176.7° | 179.7° |
C2 | C3 | C4 | C5 | 175.8° | 180.0° |
C2 | C3 | C4 | H3 | 4.2° | 0.1° |
C2 | C3 | C15 | H13 | 3.3° | 0.0° |
C3 | C2 | C16 | H14 | 4.0° | 0.2° |
C3 | C15 | C14 | H13 | 180.0° | 179.7° |
C3 | C15 | C14 | C6 | 1.3° | 0.6° |
C15 | C3 | C4 | C5 | 0.8° | 0.3° |
C15 | C3 | C4 | H3 | 179.2° | 179.8° |
C3 | C15 | C14 | H12 | 178.8° | 179.7° |
C14 | C15 | C3 | C4 | 1.8° | 0.6° |
C15 | C14 | C6 | H12 | 180.0° | 179.7° |
C15 | C14 | C6 | C5 | 0.3° | 0.3° |
C15 | C14 | C6 | C7 | 179.1° | 179.7° |
C3 | C4 | C5 | H3 | 180.0° | 179.9° |
C3 | C4 | C5 | C6 | 0.8° | 0.0° |
C3 | C4 | C5 | H4 | 179.2° | 180.0° |
C4 | C3 | C15 | H13 | 178.2° | 179.7° |
C14 | C6 | C5 | C4 | 1.3° | 0.0° |
C14 | C6 | C5 | C7 | 179.4° | 180.0° |
C14 | C6 | C7 | C8 | 139.4° | 90.0° |
C14 | C6 | C5 | H4 | 178.7° | 180.0° |
C14 | C6 | C7 | H5 | 18.4° | 30.0° |
C14 | C6 | C7 | H6 | 99.6° | 150.0° |
C6 | C14 | C15 | H13 | 178.7° | 179.7° |
C4 | C5 | C6 | H4 | 180.0° | 180.0° |
C4 | C5 | C6 | C7 | 178.1° | 180.0° |
C5 | C6 | C7 | C8 | 41.2° | 90.0° |
C6 | C5 | C4 | H3 | 179.2° | 180.0° |
C5 | C6 | C7 | H5 | 162.2° | 150.0° |
C5 | C6 | C7 | H6 | 79.8° | 30.0° |
C5 | C6 | C14 | H12 | 179.7° | 180.0° |
C6 | C7 | C8 | H5 | 121.0° | 120.0° |
C6 | C7 | C8 | H6 | 121.0° | 120.1° |
C6 | C7 | C8 | C9 | 79.3° | 89.8° |
C6 | C7 | C8 | C13 | 104.8° | 90.0° |
C7 | C6 | C5 | H4 | 1.9° | 0.0° |
C6 | C7 | H5 | H6 | 116.8° | 120.1° |
C7 | C6 | C14 | H12 | 0.9° | 0.0° |
C7 | C8 | C9 | C13 | 176.0° | 179.8° |
C7 | C8 | C9 | C10 | 179.1° | 180.0° |
C7 | C8 | C13 | C12 | 177.8° | 179.8° |
C8 | C7 | H5 | H6 | 116.9° | 120.0° |
C7 | C8 | C9 | H7 | 0.8° | 0.0° |
C7 | C8 | C13 | H11 | 2.3° | 0.1° |
C8 | C9 | C10 | H7 | 180.0° | 179.9° |
C8 | C9 | C10 | C11 | 2.5° | 0.1° |
C9 | C8 | C13 | C12 | 1.8° | 0.5° |
C9 | C8 | C7 | H5 | 41.7° | 150.3° |
C9 | C8 | C7 | H6 | 159.7° | 30.3° |
C8 | C9 | C10 | H8 | 177.5° | 180.0° |
C9 | C8 | C13 | H11 | 178.2° | 179.7° |
C10 | C9 | C8 | C13 | 3.2° | 0.3° |
C9 | C10 | C11 | H8 | 180.0° | 180.0° |
C9 | C10 | C11 | C12 | 0.4° | 0.0° |
C9 | C10 | C11 | H9 | 179.6° | 180.0° |
C8 | C13 | C12 | H11 | 180.0° | 179.8° |
C8 | C13 | C12 | C11 | 0.2° | 0.4° |
C13 | C8 | C7 | H5 | 134.2° | 30.0° |
C13 | C8 | C7 | H6 | 16.2° | 149.9° |
C13 | C8 | C9 | H7 | 176.8° | 179.8° |
C8 | C13 | C12 | H10 | 179.8° | 179.7° |
C10 | C11 | C12 | C13 | 0.9° | 0.2° |
C10 | C11 | C12 | H9 | 180.0° | 180.0° |
C11 | C10 | C9 | H7 | 177.5° | 180.0° |
C10 | C11 | C12 | H10 | 179.1° | 180.0° |
C13 | C12 | C11 | H10 | 180.0° | 179.8° |
C13 | C12 | C11 | H9 | 179.1° | 179.8° |
C12 | C11 | C10 | H8 | 179.5° | 180.0° |
C11 | C12 | C13 | H11 | 179.8° | 179.7° |
H3 | C4 | C5 | H4 | 0.8° | 0.1° |
H7 | C9 | C10 | H8 | 2.6° | 0.0° |
H8 | C10 | C11 | H9 | 0.5° | 0.0° |
H9 | C11 | C12 | H10 | 0.9° | 0.0° |
H10 | C12 | C13 | H11 | 0.2° | 0.1° |
H12 | C14 | C15 | H13 | 1.3° | 0.0° |