F27
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C12 | C29 | sing | 1.53Å | 1.57Å | |
C12 | C13 | sing | 1.51Å | 1.56Å | |
C12 | H12 | sing | 1.09Å | 1.10Å | |
C12 | H12A | sing | 1.09Å | 1.10Å | |
C13 | C15 | sing | 1.47Å | 1.53Å | |
C13 | O14 | doub | 1.21Å | 1.44Å | |
C15 | O19 | sing | 1.35Å | 1.36Å | Aromatic |
N16 | C15 | doub | 1.32Å | 1.35Å | Aromatic |
N16 | C17 | sing | 1.33Å | 1.31Å | Aromatic |
C17 | C18 | doub | 1.38Å | 1.34Å | Aromatic |
C17 | H17 | sing | 1.08Å | 1.08Å | |
C18 | C20 | sing | 1.48Å | 1.46Å | Aromatic |
O19 | C18 | sing | 1.35Å | 1.34Å | Aromatic |
C20 | N21 | doub | 1.32Å | 1.34Å | Aromatic |
C20 | C25 | sing | 1.40Å | 1.41Å | Aromatic |
N21 | C22 | sing | 1.33Å | 1.35Å | Aromatic |
C22 | C26 | sing | 1.48Å | 1.53Å | |
C22 | C23 | doub | 1.39Å | 1.42Å | Aromatic |
C23 | H23 | sing | 1.08Å | 1.08Å | |
C24 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
C24 | H24 | sing | 1.08Å | 1.08Å | |
C25 | C24 | doub | 1.38Å | 1.41Å | Aromatic |
C25 | H25 | sing | 1.08Å | 1.08Å | |
C26 | O28 | sing | 1.35Å | 1.27Å | |
O27 | C26 | doub | 1.22Å | 1.25Å | |
O28 | HO28 | sing | 0.97Å | 0.95Å | |
C29 | C30 | sing | 1.51Å | 1.52Å | |
C29 | H29 | sing | 1.09Å | 1.10Å | |
C29 | H29A | sing | 1.09Å | 1.10Å | |
C30 | C35 | sing | 1.38Å | 1.36Å | Aromatic |
C31 | C30 | doub | 1.38Å | 1.44Å | Aromatic |
C31 | C32 | sing | 1.38Å | 1.42Å | Aromatic |
C31 | H31 | sing | 1.08Å | 1.08Å | |
C32 | C33 | doub | 1.39Å | 1.42Å | Aromatic |
C32 | H32 | sing | 1.08Å | 1.08Å | |
C33 | C34 | sing | 1.39Å | 1.38Å | Aromatic |
C33 | C36 | sing | 1.48Å | 1.53Å | Aromatic |
C34 | H34 | sing | 1.08Å | 1.08Å | |
C35 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
C35 | H35 | sing | 1.08Å | 1.08Å | |
C36 | C41 | sing | 1.39Å | 1.39Å | Aromatic |
C37 | C36 | doub | 1.39Å | 1.38Å | Aromatic |
C37 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
C37 | H37 | sing | 1.08Å | 1.08Å | |
C38 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
C38 | H38 | sing | 1.08Å | 1.08Å | |
C39 | C40 | sing | 1.38Å | 1.40Å | Aromatic |
C39 | H39 | sing | 1.08Å | 1.08Å | |
C40 | H40 | sing | 1.08Å | 1.08Å | |
C41 | C40 | doub | 1.38Å | 1.41Å | Aromatic |
C41 | H41 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C29 | C12 | C13 | 110.3° | 109.5° |
C29 | C12 | H12 | 109.2° | 109.5° |
C29 | C12 | H12A | 109.2° | 109.4° |
C12 | C29 | C30 | 106.0° | 109.5° |
C12 | C29 | H29 | 110.6° | 109.5° |
C12 | C29 | H29A | 110.7° | 109.4° |
C13 | C12 | H12 | 109.2° | 109.5° |
C13 | C12 | H12A | 109.2° | 109.5° |
C12 | C13 | C15 | 112.3° | 120.0° |
C12 | C13 | O14 | 115.3° | 120.0° |
H12 | C12 | H12A | 109.8° | 109.5° |
C15 | C13 | O14 | 105.7° | 120.0° |
C13 | C15 | O19 | 114.4° | 125.5° |
C13 | C15 | N16 | 134.6° | 125.5° |
O19 | C15 | N16 | 111.1° | 109.1° |
C15 | O19 | C18 | 103.3° | 107.6° |
C15 | N16 | C17 | 106.4° | 109.0° |
N16 | C17 | C18 | 108.5° | 107.6° |
N16 | C17 | H17 | 125.8° | 126.2° |
C18 | C17 | H17 | 125.7° | 126.3° |
C17 | C18 | C20 | 125.8° | 126.6° |
C17 | C18 | O19 | 110.8° | 106.8° |
C20 | C18 | O19 | 123.3° | 126.6° |
C18 | C20 | N21 | 117.4° | 119.7° |
C18 | C20 | C25 | 118.2° | 119.7° |
N21 | C20 | C25 | 124.4° | 120.7° |
C20 | N21 | C22 | 118.3° | 121.5° |
C20 | C25 | C24 | 117.0° | 119.2° |
C20 | C25 | H25 | 121.5° | 120.4° |
N21 | C22 | C26 | 118.6° | 119.6° |
N21 | C22 | C23 | 122.0° | 120.7° |
C26 | C22 | C23 | 119.4° | 119.7° |
C22 | C26 | O28 | 118.8° | 120.0° |
C22 | C26 | O27 | 118.5° | 120.0° |
C22 | C23 | H23 | 120.6° | 120.3° |
C22 | C23 | C24 | 118.8° | 119.3° |
H23 | C23 | C24 | 120.6° | 120.4° |
C23 | C24 | H24 | 120.2° | 120.7° |
C23 | C24 | C25 | 119.6° | 118.6° |
H24 | C24 | C25 | 120.2° | 120.7° |
C24 | C25 | H25 | 121.6° | 120.4° |
O28 | C26 | O27 | 122.7° | 120.0° |
C26 | O28 | HO28 | 109.5° | 117.0° |
C30 | C29 | H29 | 110.7° | 109.5° |
C30 | C29 | H29A | 110.6° | 109.5° |
C29 | C30 | C35 | 114.0° | 119.9° |
C29 | C30 | C31 | 126.3° | 119.9° |
H29 | C29 | H29A | 108.3° | 109.4° |
C35 | C30 | C31 | 119.6° | 120.2° |
C30 | C35 | C34 | 122.3° | 120.2° |
C30 | C35 | H35 | 118.8° | 119.9° |
C30 | C31 | C32 | 116.4° | 120.1° |
C30 | C31 | H31 | 121.8° | 119.9° |
C32 | C31 | H31 | 121.8° | 120.0° |
C31 | C32 | C33 | 123.4° | 119.9° |
C31 | C32 | H32 | 118.3° | 120.1° |
C33 | C32 | H32 | 118.3° | 120.1° |
C32 | C33 | C34 | 116.6° | 119.8° |
C32 | C33 | C36 | 122.6° | 120.1° |
C34 | C33 | C36 | 120.8° | 120.1° |
C33 | C34 | H34 | 119.2° | 120.1° |
C33 | C34 | C35 | 121.5° | 119.8° |
C33 | C36 | C41 | 121.0° | 120.1° |
C33 | C36 | C37 | 121.3° | 120.1° |
H34 | C34 | C35 | 119.2° | 120.1° |
C34 | C35 | H35 | 118.9° | 119.9° |
C41 | C36 | C37 | 117.8° | 119.8° |
C36 | C41 | C40 | 120.5° | 119.8° |
C36 | C41 | H41 | 119.8° | 120.1° |
C36 | C37 | C38 | 123.0° | 119.9° |
C36 | C37 | H37 | 118.5° | 120.0° |
C38 | C37 | H37 | 118.5° | 120.1° |
C37 | C38 | C39 | 119.3° | 120.1° |
C37 | C38 | H38 | 120.4° | 119.9° |
C39 | C38 | H38 | 120.4° | 120.0° |
C38 | C39 | C40 | 119.1° | 120.3° |
C38 | C39 | H39 | 120.5° | 119.8° |
C40 | C39 | H39 | 120.5° | 119.9° |
C39 | C40 | H40 | 119.8° | 120.0° |
C39 | C40 | C41 | 120.4° | 120.2° |
H40 | C40 | C41 | 119.8° | 119.9° |
C40 | C41 | H41 | 119.8° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C29 | C12 | C13 | H12 | 120.0° | 120.0° |
C29 | C12 | C13 | H12A | 120.0° | 119.9° |
C29 | C12 | H12 | H12A | 119.7° | 120.0° |
C29 | C12 | C13 | C15 | 163.2° | 180.0° |
C29 | C12 | C13 | O14 | 42.0° | 0.1° |
C12 | C29 | C30 | H29 | 120.0° | 120.1° |
C12 | C29 | C30 | H29A | 120.0° | 120.0° |
C12 | C29 | H29 | H29A | 121.4° | 120.0° |
C12 | C29 | C30 | C35 | 81.9° | 90.0° |
C12 | C29 | C30 | C31 | 96.0° | 89.7° |
C13 | C12 | H12 | H12A | 119.6° | 120.0° |
C12 | C13 | C15 | O14 | 126.5° | 179.9° |
C12 | C13 | C15 | O19 | 37.4° | 179.9° |
C12 | C13 | C15 | N16 | 143.1° | 0.3° |
C13 | C12 | C29 | C30 | 154.8° | 180.0° |
C13 | C12 | C29 | H29 | 85.2° | 59.9° |
C13 | C12 | C29 | H29A | 34.8° | 60.0° |
H12 | C12 | C13 | C15 | 76.8° | 60.0° |
H12 | C12 | C13 | O14 | 162.0° | 119.9° |
H12 | C12 | C29 | C30 | 85.2° | 60.0° |
H12 | C12 | C29 | H29 | 34.8° | 180.0° |
H12 | C12 | C29 | H29A | 154.8° | 60.0° |
H12A | C12 | C13 | C15 | 43.2° | 60.1° |
H12A | C12 | C13 | O14 | 78.0° | 120.0° |
H12A | C12 | C29 | C30 | 34.8° | 60.0° |
H12A | C12 | C29 | H29 | 154.8° | 60.0° |
H12A | C12 | C29 | H29A | 85.2° | 180.0° |
C13 | C15 | O19 | N16 | 179.6° | 179.7° |
C13 | C15 | N16 | C17 | 179.8° | 179.9° |
C13 | C15 | O19 | C18 | 179.5° | 179.9° |
O14 | C13 | C15 | O19 | 89.1° | 0.0° |
O14 | C13 | C15 | N16 | 90.4° | 179.7° |
O19 | C15 | N16 | C17 | 0.7° | 0.2° |
C15 | O19 | C18 | C17 | 0.8° | 0.4° |
C15 | O19 | C18 | C20 | 179.6° | 179.8° |
C15 | N16 | C17 | C18 | 0.2° | 0.0° |
C15 | N16 | C17 | H17 | 179.8° | 179.9° |
N16 | C15 | O19 | C18 | 0.9° | 0.4° |
N16 | C17 | C18 | H17 | 180.0° | 179.9° |
N16 | C17 | C18 | C20 | 180.0° | 179.9° |
N16 | C17 | C18 | O19 | 0.4° | 0.2° |
C17 | C18 | C20 | O19 | 179.6° | 179.8° |
C17 | C18 | C20 | N21 | 12.3° | 0.0° |
C17 | C18 | C20 | C25 | 165.5° | 179.7° |
H17 | C17 | C18 | C20 | 0.0° | 0.0° |
H17 | C17 | C18 | O19 | 179.6° | 179.8° |
C18 | C20 | N21 | C25 | 177.6° | 179.7° |
C18 | C20 | N21 | C22 | 178.6° | 180.0° |
C18 | C20 | C25 | C24 | 178.9° | 179.8° |
C18 | C20 | C25 | H25 | 1.1° | 0.0° |
O19 | C18 | C20 | N21 | 167.3° | 179.8° |
O19 | C18 | C20 | C25 | 14.9° | 0.1° |
C20 | N21 | C22 | C26 | 179.1° | 180.0° |
C20 | N21 | C22 | C23 | 0.3° | 0.0° |
N21 | C20 | C25 | C24 | 1.3° | 0.6° |
N21 | C20 | C25 | H25 | 178.7° | 179.7° |
C25 | C20 | N21 | C22 | 0.9° | 0.3° |
C20 | C25 | C24 | C23 | 0.9° | 0.5° |
C20 | C25 | C24 | H24 | 179.1° | 179.7° |
C20 | C25 | C24 | H25 | 180.0° | 179.7° |
N21 | C22 | C26 | C23 | 179.4° | 180.0° |
N21 | C22 | C23 | H23 | 180.0° | 180.0° |
N21 | C22 | C23 | C24 | 0.0° | 0.1° |
N21 | C22 | C26 | O28 | 167.2° | 0.0° |
N21 | C22 | C26 | O27 | 13.0° | 180.0° |
C26 | C22 | C23 | H23 | 0.7° | 0.0° |
C26 | C22 | C23 | C24 | 179.3° | 180.0° |
C22 | C26 | O28 | O27 | 179.7° | 180.0° |
C22 | C26 | O28 | HO28 | 179.7° | 180.0° |
C22 | C23 | H23 | C24 | 180.0° | 179.9° |
C22 | C23 | C24 | H24 | 179.6° | 180.0° |
C22 | C23 | C24 | C25 | 0.4° | 0.2° |
C23 | C22 | C26 | O28 | 13.4° | 180.0° |
C23 | C22 | C26 | O27 | 166.3° | 0.0° |
H23 | C23 | C24 | H24 | 0.4° | 0.1° |
H23 | C23 | C24 | C25 | 179.6° | 179.8° |
C23 | C24 | H24 | C25 | 180.0° | 179.8° |
C23 | C24 | C25 | H25 | 179.1° | 179.8° |
H24 | C24 | C25 | H25 | 0.9° | 0.1° |
O27 | C26 | O28 | HO28 | 0.0° | 0.0° |
C30 | C29 | H29 | H29A | 121.4° | 120.0° |
C29 | C30 | C35 | C31 | 178.0° | 179.7° |
C29 | C30 | C31 | C32 | 179.0° | 180.0° |
C29 | C30 | C31 | H31 | 1.0° | 0.0° |
C29 | C30 | C35 | C34 | 178.7° | 179.8° |
C29 | C30 | C35 | H35 | 1.3° | 0.0° |
H29 | C29 | C30 | C35 | 158.2° | 30.0° |
H29 | C29 | C30 | C31 | 24.0° | 150.3° |
H29A | C29 | C30 | C35 | 38.2° | 150.0° |
H29A | C29 | C30 | C31 | 144.0° | 30.3° |
C35 | C30 | C31 | C32 | 1.3° | 0.3° |
C35 | C30 | C31 | H31 | 178.7° | 179.7° |
C30 | C35 | C34 | C33 | 0.0° | 0.5° |
C30 | C35 | C34 | H34 | 180.0° | 179.7° |
C30 | C35 | C34 | H35 | 180.0° | 179.8° |
C30 | C31 | C32 | H31 | 180.0° | 180.0° |
C30 | C31 | C32 | C33 | 1.4° | 0.0° |
C30 | C31 | C32 | H32 | 178.6° | 179.9° |
C31 | C30 | C35 | C34 | 0.7° | 0.5° |
C31 | C30 | C35 | H35 | 179.4° | 179.7° |
C31 | C32 | C33 | H32 | 180.0° | 179.9° |
C31 | C32 | C33 | C34 | 0.7° | 0.0° |
C31 | C32 | C33 | C36 | 179.6° | 180.0° |
H31 | C31 | C32 | C33 | 178.7° | 180.0° |
H31 | C31 | C32 | H32 | 1.3° | 0.1° |
C32 | C33 | C34 | C36 | 179.6° | 180.0° |
C32 | C33 | C34 | H34 | 180.0° | 180.0° |
C32 | C33 | C34 | C35 | 0.0° | 0.2° |
C32 | C33 | C36 | C41 | 143.6° | 180.0° |
C32 | C33 | C36 | C37 | 36.3° | 0.3° |
H32 | C32 | C33 | C34 | 179.3° | 180.0° |
H32 | C32 | C33 | C36 | 0.4° | 0.1° |
C33 | C34 | H34 | C35 | 180.0° | 179.8° |
C33 | C34 | C35 | H35 | 180.0° | 179.8° |
C34 | C33 | C36 | C41 | 36.0° | 0.0° |
C34 | C33 | C36 | C37 | 144.1° | 179.7° |
C36 | C33 | C34 | H34 | 0.4° | 0.0° |
C36 | C33 | C34 | C35 | 179.6° | 179.8° |
C33 | C36 | C41 | C37 | 179.9° | 179.7° |
C33 | C36 | C37 | C38 | 179.9° | 180.0° |
C33 | C36 | C37 | H37 | 0.1° | 0.0° |
C33 | C36 | C41 | C40 | 179.9° | 179.7° |
C33 | C36 | C41 | H41 | 0.1° | 0.1° |
H34 | C34 | C35 | H35 | 0.0° | 0.0° |
C41 | C36 | C37 | C38 | 0.2° | 0.3° |
C41 | C36 | C37 | H37 | 179.8° | 179.7° |
C36 | C41 | C40 | C39 | 0.2° | 0.6° |
C36 | C41 | C40 | H40 | 179.8° | 179.7° |
C36 | C41 | C40 | H41 | 180.0° | 179.7° |
C36 | C37 | C38 | H37 | 180.0° | 180.0° |
C36 | C37 | C38 | C39 | 0.7° | 0.0° |
C36 | C37 | C38 | H38 | 179.4° | 180.0° |
C37 | C36 | C41 | C40 | 0.0° | 0.6° |
C37 | C36 | C41 | H41 | 180.0° | 179.7° |
C37 | C38 | C39 | H38 | 180.0° | 180.0° |
C37 | C38 | C39 | C40 | 0.8° | 0.0° |
C37 | C38 | C39 | H39 | 179.2° | 180.0° |
H37 | C37 | C38 | C39 | 179.4° | 180.0° |
H37 | C37 | C38 | H38 | 0.6° | 0.0° |
C38 | C39 | C40 | H39 | 180.0° | 180.0° |
C38 | C39 | C40 | H40 | 179.3° | 180.0° |
C38 | C39 | C40 | C41 | 0.6° | 0.3° |
H38 | C38 | C39 | C40 | 179.2° | 180.0° |
H38 | C38 | C39 | H39 | 0.8° | 0.0° |
C39 | C40 | H40 | C41 | 180.0° | 179.7° |
C39 | C40 | C41 | H41 | 179.8° | 179.7° |
H39 | C39 | C40 | H40 | 0.7° | 0.0° |
H39 | C39 | C40 | C41 | 179.4° | 179.7° |
H40 | C40 | C41 | H41 | 0.2° | 0.0° |