XV0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
C24 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
N30 | C29 | trip | 1.14Å | 1.14Å | |
C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
C12 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
C13 | N14 | sing | 1.32Å | 1.33Å | Aromatic |
C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
C29 | C21 | sing | 1.43Å | 1.44Å | |
C16 | C11 | sing | 1.48Å | 1.49Å | |
C16 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
C11 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
N14 | C15 | doub | 1.32Å | 1.33Å | Aromatic |
C20 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
C21 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
C10 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
C10 | N8 | sing | 1.40Å | 1.42Å | |
C19 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
N8 | C7 | sing | 1.35Å | 1.36Å | |
C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
C18 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
C18 | N17 | sing | 1.39Å | 1.41Å | |
C7 | O9 | doub | 1.21Å | 1.23Å | |
C7 | C5 | sing | 1.48Å | 1.50Å | |
N4 | C5 | doub | 1.33Å | 1.34Å | Aromatic |
N4 | C3 | sing | 1.32Å | 1.35Å | Aromatic |
C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
N17 | C3 | sing | 1.39Å | 1.36Å | |
C3 | N2 | doub | 1.33Å | 1.35Å | Aromatic |
C6 | C1 | doub | 1.39Å | 1.37Å | Aromatic |
N2 | C1 | sing | 1.32Å | 1.34Å | Aromatic |
C13 | H35 | sing | 1.08Å | 1.08Å | |
C15 | H36 | sing | 1.08Å | 1.08Å | |
C19 | H38 | sing | 1.08Å | 1.08Å | |
C20 | H39 | sing | 1.08Å | 1.08Å | |
C22 | H40 | sing | 1.08Å | 1.08Å | |
C23 | H41 | sing | 1.08Å | 1.08Å | |
C24 | H42 | sing | 1.08Å | 1.08Å | |
C12 | H34 | sing | 1.08Å | 1.08Å | |
C27 | H45 | sing | 1.08Å | 1.08Å | |
C1 | H31 | sing | 1.08Å | 1.08Å | |
C6 | H32 | sing | 1.08Å | 1.08Å | |
N8 | H33 | sing | 0.97Å | 1.00Å | |
N17 | H37 | sing | 0.97Å | 1.00Å | |
C25 | H43 | sing | 1.08Å | 1.08Å | |
C26 | H44 | sing | 1.08Å | 1.08Å | |
C28 | H46 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C24 | C25 | C26 | 120.2° | 120.1° |
C25 | C24 | C16 | 120.5° | 119.9° |
C25 | C24 | H42 | 119.8° | 120.0° |
C24 | C25 | H43 | 119.9° | 120.0° |
C25 | C26 | C27 | 119.8° | 120.3° |
C26 | C25 | H43 | 119.9° | 119.9° |
C25 | C26 | H44 | 120.1° | 119.9° |
C24 | C16 | C11 | 121.0° | 120.1° |
C24 | C16 | C28 | 118.5° | 119.8° |
C16 | C24 | H42 | 119.7° | 120.1° |
N30 | C29 | C21 | 178.5° | 179.9° |
C13 | C12 | C11 | 119.0° | 119.1° |
C12 | C13 | N14 | 123.8° | 121.0° |
C12 | C13 | H35 | 118.1° | 119.5° |
C13 | C12 | H34 | 120.5° | 120.5° |
C12 | C11 | C16 | 118.0° | 120.9° |
C12 | C11 | C10 | 118.4° | 118.2° |
C11 | C12 | H34 | 120.5° | 120.5° |
C13 | N14 | C15 | 117.0° | 122.1° |
N14 | C13 | H35 | 118.1° | 119.5° |
C26 | C27 | C28 | 120.2° | 120.2° |
C26 | C27 | H45 | 119.9° | 119.9° |
C27 | C26 | H44 | 120.1° | 119.8° |
C29 | C21 | C20 | 120.4° | 120.1° |
C29 | C21 | C22 | 120.1° | 120.1° |
C11 | C16 | C28 | 120.6° | 120.1° |
C16 | C11 | C10 | 123.6° | 120.9° |
C16 | C28 | C27 | 120.8° | 119.8° |
C16 | C28 | H46 | 119.6° | 120.0° |
C11 | C10 | C15 | 117.3° | 118.9° |
C11 | C10 | N8 | 120.5° | 120.6° |
N14 | C15 | C10 | 124.5° | 120.7° |
N14 | C15 | H36 | 117.7° | 119.6° |
C21 | C20 | C19 | 120.1° | 119.9° |
C20 | C21 | C22 | 119.6° | 119.8° |
C21 | C20 | H39 | 119.9° | 120.0° |
C20 | C19 | C18 | 120.2° | 120.1° |
C20 | C19 | H38 | 119.9° | 119.9° |
C19 | C20 | H39 | 119.9° | 120.1° |
C28 | C27 | H45 | 119.9° | 119.9° |
C27 | C28 | H46 | 119.6° | 120.1° |
C21 | C22 | C23 | 120.1° | 120.0° |
C21 | C22 | H40 | 119.9° | 120.0° |
C15 | C10 | N8 | 122.2° | 120.5° |
C10 | C15 | H36 | 117.7° | 119.7° |
C10 | N8 | C7 | 124.9° | 120.0° |
C10 | N8 | H33 | 117.6° | 120.0° |
C19 | C18 | C23 | 119.4° | 120.1° |
C19 | C18 | N17 | 121.0° | 119.9° |
C18 | C19 | H38 | 119.9° | 119.9° |
N8 | C7 | O9 | 123.7° | 120.0° |
N8 | C7 | C5 | 115.8° | 120.0° |
C7 | N8 | H33 | 117.5° | 120.0° |
C22 | C23 | C18 | 120.5° | 120.1° |
C23 | C22 | H40 | 119.9° | 120.0° |
C22 | C23 | H41 | 119.7° | 120.0° |
C23 | C18 | N17 | 119.5° | 119.9° |
C18 | C23 | H41 | 119.8° | 120.0° |
C18 | N17 | C3 | 131.0° | 120.0° |
C18 | N17 | H37 | 114.5° | 120.0° |
O9 | C7 | C5 | 120.5° | 120.0° |
C7 | C5 | N4 | 118.7° | 120.5° |
C7 | C5 | C6 | 118.7° | 120.5° |
C5 | N4 | C3 | 115.8° | 120.7° |
N4 | C5 | C6 | 122.6° | 118.9° |
N4 | C3 | N17 | 120.3° | 119.1° |
N4 | C3 | N2 | 126.0° | 121.7° |
C5 | C6 | C1 | 116.4° | 118.4° |
C5 | C6 | H32 | 121.8° | 120.8° |
N17 | C3 | N2 | 113.7° | 119.2° |
C3 | N17 | H37 | 114.5° | 120.0° |
C3 | N2 | C1 | 115.7° | 121.0° |
C6 | C1 | N2 | 123.4° | 119.3° |
C6 | C1 | H31 | 118.3° | 120.4° |
C1 | C6 | H32 | 121.8° | 120.8° |
N2 | C1 | H31 | 118.3° | 120.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C24 | C25 | C26 | H43 | 180.0° | 179.9° |
C25 | C24 | C16 | H42 | 180.0° | 179.9° |
C24 | C25 | C26 | C27 | 0.3° | 0.0° |
C25 | C24 | C16 | C11 | 178.4° | 180.0° |
C25 | C24 | C16 | C28 | 0.4° | 0.3° |
C24 | C25 | C26 | H44 | 179.7° | 180.0° |
C26 | C25 | C24 | C16 | 0.0° | 0.0° |
C25 | C26 | C27 | H44 | 180.0° | 180.0° |
C25 | C26 | C27 | C28 | 0.3° | 0.3° |
C26 | C25 | C24 | H42 | 180.0° | 179.9° |
C25 | C26 | C27 | H45 | 179.7° | 179.8° |
C24 | C16 | C11 | C12 | 59.1° | 129.7° |
C24 | C16 | C11 | C28 | 178.8° | 179.7° |
C24 | C16 | C11 | C10 | 121.9° | 50.3° |
C24 | C16 | C28 | C27 | 0.5° | 0.6° |
C16 | C24 | C25 | H43 | 180.0° | 179.9° |
C24 | C16 | C28 | H46 | 179.5° | 179.7° |
N30 | C29 | C21 | C20 | 10.7° | 146.5° |
N30 | C29 | C21 | C22 | 168.0° | 33.5° |
C13 | C12 | C11 | H34 | 180.0° | 180.0° |
C12 | C13 | N14 | H35 | 180.0° | 180.0° |
C13 | C12 | C11 | C16 | 178.6° | 180.0° |
C13 | C12 | C11 | C10 | 0.4° | 0.0° |
C12 | C13 | N14 | C15 | 0.2° | 0.0° |
C11 | C12 | C13 | N14 | 0.0° | 0.0° |
C12 | C11 | C16 | C10 | 179.0° | 180.0° |
C12 | C11 | C16 | C28 | 119.7° | 50.0° |
C12 | C11 | C10 | C15 | 0.6° | 0.0° |
C12 | C11 | C10 | N8 | 178.8° | 180.0° |
C11 | C12 | C13 | H35 | 180.0° | 180.0° |
C13 | N14 | C15 | C10 | 0.0° | 0.0° |
C13 | N14 | C15 | H36 | 180.0° | 179.9° |
N14 | C13 | C12 | H34 | 180.0° | 180.0° |
C26 | C27 | C28 | C16 | 0.1° | 0.6° |
C26 | C27 | C28 | H45 | 180.0° | 179.4° |
C27 | C26 | C25 | H43 | 179.7° | 180.0° |
C26 | C27 | C28 | H46 | 179.9° | 179.7° |
C29 | C21 | C20 | C22 | 178.8° | 180.0° |
C29 | C21 | C20 | C19 | 178.0° | 180.0° |
C29 | C21 | C22 | C23 | 178.0° | 180.0° |
C29 | C21 | C20 | H39 | 2.0° | 0.0° |
C29 | C21 | C22 | H40 | 2.0° | 0.1° |
C11 | C16 | C28 | C27 | 178.4° | 179.7° |
C16 | C11 | C10 | C15 | 178.3° | 180.0° |
C16 | C11 | C10 | N8 | 2.2° | 0.0° |
C11 | C16 | C24 | H42 | 1.6° | 0.1° |
C16 | C11 | C12 | H34 | 1.4° | 0.0° |
C11 | C16 | C28 | H46 | 1.6° | 0.0° |
C28 | C16 | C11 | C10 | 59.2° | 130.0° |
C16 | C28 | C27 | H46 | 180.0° | 179.7° |
C28 | C16 | C24 | H42 | 179.6° | 179.6° |
C16 | C28 | C27 | H45 | 179.9° | 180.0° |
C11 | C10 | C15 | N14 | 0.4° | 0.0° |
C11 | C10 | C15 | N8 | 179.4° | 180.0° |
C11 | C10 | N8 | C7 | 167.6° | 147.2° |
C11 | C10 | C15 | H36 | 179.6° | 180.0° |
C10 | C11 | C12 | H34 | 179.6° | 180.0° |
C11 | C10 | N8 | H33 | 12.4° | 32.8° |
N14 | C15 | C10 | H36 | 180.0° | 179.9° |
N14 | C15 | C10 | N8 | 179.0° | 180.0° |
C15 | N14 | C13 | H35 | 179.8° | 180.0° |
C21 | C20 | C19 | H39 | 180.0° | 180.0° |
C21 | C20 | C19 | C18 | 0.1° | 0.0° |
C20 | C21 | C22 | C23 | 0.8° | 0.0° |
C21 | C20 | C19 | H38 | 179.9° | 180.0° |
C20 | C21 | C22 | H40 | 179.2° | 180.0° |
C19 | C20 | C21 | C22 | 0.8° | 0.0° |
C20 | C19 | C18 | H38 | 180.0° | 179.9° |
C20 | C19 | C18 | C23 | 1.1° | 0.0° |
C20 | C19 | C18 | N17 | 176.1° | 179.8° |
C28 | C27 | C26 | H44 | 179.7° | 179.7° |
C21 | C22 | C23 | H40 | 180.0° | 180.0° |
C21 | C22 | C23 | C18 | 0.2° | 0.0° |
C22 | C21 | C20 | H39 | 179.2° | 180.0° |
C21 | C22 | C23 | H41 | 179.9° | 179.7° |
C15 | C10 | N8 | C7 | 13.0° | 32.8° |
C15 | C10 | N8 | H33 | 167.0° | 147.2° |
C10 | N8 | C7 | H33 | 180.0° | 180.0° |
C10 | N8 | C7 | O9 | 5.2° | 4.7° |
C10 | N8 | C7 | C5 | 175.2° | 175.2° |
N8 | C10 | C15 | H36 | 1.0° | 0.0° |
C19 | C18 | C23 | C22 | 1.1° | 0.0° |
C19 | C18 | C23 | N17 | 177.2° | 179.7° |
C19 | C18 | N17 | C3 | 46.8° | 145.9° |
C18 | C19 | C20 | H39 | 179.9° | 180.0° |
C19 | C18 | C23 | H41 | 178.9° | 179.7° |
C19 | C18 | N17 | H37 | 133.3° | 34.1° |
N8 | C7 | O9 | C5 | 179.6° | 180.0° |
N8 | C7 | C5 | N4 | 0.2° | 0.0° |
N8 | C7 | C5 | C6 | 179.6° | 179.7° |
C22 | C23 | C18 | H41 | 180.0° | 179.7° |
C22 | C23 | C18 | N17 | 176.1° | 179.7° |
C23 | C18 | N17 | C3 | 136.1° | 33.8° |
C23 | C18 | C19 | H38 | 178.9° | 180.0° |
C18 | C23 | C22 | H40 | 179.8° | 180.0° |
C23 | C18 | N17 | H37 | 43.9° | 146.2° |
C18 | N17 | C3 | N4 | 0.1° | 174.9° |
C18 | N17 | C3 | H37 | 180.0° | 180.0° |
C18 | N17 | C3 | N2 | 179.7° | 5.2° |
N17 | C18 | C19 | H38 | 3.9° | 0.3° |
N17 | C18 | C23 | H41 | 3.9° | 0.0° |
O9 | C7 | C5 | N4 | 179.4° | 180.0° |
O9 | C7 | C5 | C6 | 0.7° | 0.4° |
O9 | C7 | N8 | H33 | 174.8° | 175.3° |
C7 | C5 | N4 | C6 | 179.9° | 179.6° |
C7 | C5 | N4 | C3 | 179.8° | 180.0° |
C7 | C5 | C6 | C1 | 179.5° | 179.7° |
C7 | C5 | C6 | H32 | 0.5° | 0.3° |
C5 | C7 | N8 | H33 | 4.8° | 4.7° |
C5 | N4 | C3 | N17 | 179.2° | 179.9° |
C5 | N4 | C3 | N2 | 0.3° | 0.0° |
N4 | C5 | C6 | C1 | 0.4° | 0.6° |
N4 | C5 | C6 | H32 | 179.6° | 180.0° |
C3 | N4 | C5 | C6 | 0.1° | 0.4° |
N4 | C3 | N17 | N2 | 179.6° | 180.0° |
N4 | C3 | N2 | C1 | 0.4° | 0.0° |
N4 | C3 | N17 | H37 | 179.9° | 5.2° |
C5 | C6 | C1 | H32 | 180.0° | 179.4° |
C5 | C6 | C1 | N2 | 0.3° | 0.6° |
C5 | C6 | C1 | H31 | 179.7° | 179.8° |
N17 | C3 | N2 | C1 | 179.2° | 180.0° |
C3 | N2 | C1 | C6 | 0.0° | 0.3° |
C3 | N2 | C1 | H31 | 180.0° | 180.0° |
N2 | C3 | N17 | H37 | 0.3° | 174.8° |
C6 | C1 | N2 | H31 | 180.0° | 179.6° |
N2 | C1 | C6 | H32 | 179.7° | 180.0° |
H35 | C13 | C12 | H34 | 0.0° | 0.0° |
H38 | C19 | C20 | H39 | 0.1° | 0.0° |
H40 | C22 | C23 | H41 | 0.1° | 0.2° |
H42 | C24 | C25 | H43 | 0.0° | 0.0° |
H45 | C27 | C26 | H44 | 0.3° | 0.3° |
H45 | C27 | C28 | H46 | 0.1° | 0.3° |
H31 | C1 | C6 | H32 | 0.3° | 0.3° |
H43 | C25 | C26 | H44 | 0.4° | 0.1° |