17P
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C | doub | 1.40Å | 1.54Å | Aromatic |
C3 | C | sing | 1.47Å | 1.53Å | Aromatic |
C | C8 | sing | 1.39Å | 1.53Å | Aromatic |
N | C1 | sing | 1.39Å | 1.48Å | Aromatic |
C11 | C1 | sing | 1.39Å | 1.53Å | Aromatic |
N | C2 | sing | 1.37Å | 1.48Å | Aromatic |
N | HN | sing | 0.97Å | 1.00Å | |
C4 | C2 | doub | 1.41Å | 1.51Å | Aromatic |
C2 | C3 | sing | 1.40Å | 1.52Å | Aromatic |
C3 | C7 | doub | 1.40Å | 1.51Å | Aromatic |
C12 | C4 | sing | 1.47Å | 1.50Å | |
C4 | C5 | sing | 1.39Å | 1.51Å | Aromatic |
C5 | N6 | doub | 1.32Å | 1.47Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.08Å | |
N6 | C7 | sing | 1.33Å | 1.48Å | Aromatic |
C7 | N13 | sing | 1.38Å | 1.48Å | |
C8 | C9 | doub | 1.37Å | 1.52Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C10 | C9 | sing | 1.40Å | 1.53Å | Aromatic |
C9 | H9 | sing | 1.08Å | 1.08Å | |
C11 | C10 | doub | 1.39Å | 1.53Å | Aromatic |
C10 | C21 | sing | 1.48Å | 1.53Å | |
C11 | H11 | sing | 1.08Å | 1.08Å | |
N20 | C12 | sing | 1.35Å | 1.48Å | |
C12 | O | doub | 1.22Å | 1.42Å | |
N13 | C14 | sing | 1.47Å | 1.47Å | |
N13 | HN13 | sing | 0.97Å | 1.00Å | |
C19 | C14 | sing | 1.53Å | 1.53Å | |
C14 | C15 | sing | 1.53Å | 1.54Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
C15 | C16 | sing | 1.53Å | 1.52Å | |
C15 | H15 | sing | 1.09Å | 1.10Å | |
C15 | H15A | sing | 1.09Å | 1.10Å | |
C17 | C16 | sing | 1.53Å | 1.54Å | |
C16 | H16 | sing | 1.09Å | 1.10Å | |
C16 | H16A | sing | 1.09Å | 1.10Å | |
C18 | C17 | sing | 1.53Å | 1.52Å | |
C17 | H17 | sing | 1.09Å | 1.10Å | |
C17 | H17A | sing | 1.09Å | 1.10Å | |
C19 | C18 | sing | 1.53Å | 1.53Å | |
C18 | H18 | sing | 1.09Å | 1.10Å | |
C18 | H18A | sing | 1.09Å | 1.10Å | |
C19 | H19 | sing | 1.09Å | 1.10Å | |
C19 | H19A | sing | 1.09Å | 1.10Å | |
N20 | HN20 | sing | 0.97Å | 1.00Å | |
N20 | HN2A | sing | 0.97Å | 1.00Å | |
C25 | C21 | sing | 1.41Å | 1.51Å | Aromatic |
C21 | C22 | doub | 1.36Å | 1.52Å | Aromatic |
N23 | C22 | sing | 1.35Å | 1.48Å | Aromatic |
C22 | H22 | sing | 1.08Å | 1.08Å | |
N24 | N23 | sing | 1.40Å | 1.44Å | Aromatic |
N23 | C26 | sing | 1.46Å | 1.51Å | |
C25 | N24 | doub | 1.31Å | 1.49Å | Aromatic |
C25 | H25 | sing | 1.08Å | 1.08Å | |
C26 | H26 | sing | 1.09Å | 1.10Å | |
C26 | H26A | sing | 1.09Å | 1.10Å | |
C26 | H26B | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | C | C3 | 106.6° | 106.3° |
C1 | C | C8 | 116.1° | 120.2° |
C | C1 | N | 105.4° | 108.2° |
C | C1 | C11 | 124.1° | 119.4° |
C3 | C | C8 | 135.4° | 133.6° |
C | C3 | C2 | 106.7° | 106.4° |
C | C3 | C7 | 134.5° | 134.2° |
C | C8 | C9 | 115.9° | 120.1° |
C | C8 | H8 | 122.0° | 120.0° |
N | C1 | C11 | 128.1° | 132.4° |
C1 | N | C2 | 111.2° | 110.4° |
C1 | N | HN | 124.4° | 124.8° |
C1 | C11 | C10 | 115.9° | 119.8° |
C1 | C11 | H11 | 122.0° | 120.1° |
C2 | N | HN | 124.4° | 124.8° |
N | C2 | C4 | 128.7° | 133.4° |
N | C2 | C3 | 107.2° | 108.7° |
C4 | C2 | C3 | 121.0° | 117.9° |
C2 | C4 | C12 | 117.8° | 120.6° |
C2 | C4 | C5 | 114.3° | 118.8° |
C2 | C3 | C7 | 116.2° | 119.3° |
C3 | C7 | N6 | 118.0° | 120.5° |
C3 | C7 | N13 | 120.9° | 119.8° |
C12 | C4 | C5 | 123.9° | 120.6° |
C4 | C12 | N20 | 114.8° | 120.0° |
C4 | C12 | O | 115.4° | 120.0° |
C4 | C5 | N6 | 120.4° | 121.2° |
C4 | C5 | H5 | 119.8° | 119.4° |
N6 | C5 | H5 | 119.8° | 119.4° |
C5 | N6 | C7 | 120.7° | 122.2° |
N6 | C7 | N13 | 117.9° | 119.7° |
C7 | N13 | C14 | 118.6° | 120.0° |
C7 | N13 | HN13 | 106.5° | 120.0° |
C9 | C8 | H8 | 122.0° | 119.9° |
C8 | C9 | C10 | 119.0° | 120.2° |
C8 | C9 | H9 | 120.5° | 119.9° |
C10 | C9 | H9 | 120.5° | 119.9° |
C9 | C10 | C11 | 114.9° | 120.3° |
C9 | C10 | C21 | 118.4° | 119.8° |
C11 | C10 | C21 | 118.8° | 119.8° |
C10 | C11 | H11 | 122.0° | 120.1° |
C10 | C21 | C25 | 132.5° | 126.2° |
C10 | C21 | C22 | 122.5° | 126.2° |
N20 | C12 | O | 125.7° | 119.9° |
C12 | N20 | HN20 | 120.0° | 120.0° |
C12 | N20 | HN2A | 120.0° | 120.0° |
C14 | N13 | HN13 | 106.5° | 120.0° |
N13 | C14 | C19 | 108.9° | 109.4° |
N13 | C14 | C15 | 110.1° | 109.4° |
N13 | C14 | H14 | 111.2° | 109.5° |
C19 | C14 | C15 | 114.3° | 109.5° |
C19 | C14 | H14 | 106.7° | 109.5° |
C14 | C19 | C18 | 110.9° | 109.4° |
C14 | C19 | H19 | 109.0° | 109.5° |
C14 | C19 | H19A | 109.0° | 109.5° |
C15 | C14 | H14 | 105.5° | 109.5° |
C14 | C15 | C16 | 111.6° | 109.5° |
C14 | C15 | H15 | 108.8° | 109.5° |
C14 | C15 | H15A | 108.7° | 109.5° |
C16 | C15 | H15 | 108.8° | 109.5° |
C16 | C15 | H15A | 108.8° | 109.5° |
C15 | C16 | C17 | 111.4° | 109.4° |
C15 | C16 | H16 | 108.8° | 109.5° |
C15 | C16 | H16A | 108.8° | 109.5° |
H15 | C15 | H15A | 110.1° | 109.4° |
C17 | C16 | H16 | 108.8° | 109.5° |
C17 | C16 | H16A | 108.8° | 109.4° |
C16 | C17 | C18 | 109.9° | 109.5° |
C16 | C17 | H17 | 109.3° | 109.4° |
C16 | C17 | H17A | 109.3° | 109.5° |
H16 | C16 | H16A | 110.1° | 109.5° |
C18 | C17 | H17 | 109.3° | 109.5° |
C18 | C17 | H17A | 109.3° | 109.5° |
C17 | C18 | C19 | 109.7° | 109.5° |
C17 | C18 | H18 | 109.4° | 109.5° |
C17 | C18 | H18A | 109.4° | 109.5° |
H17 | C17 | H17A | 109.6° | 109.5° |
C19 | C18 | H18 | 109.4° | 109.5° |
C19 | C18 | H18A | 109.4° | 109.4° |
C18 | C19 | H19 | 109.0° | 109.5° |
C18 | C19 | H19A | 109.0° | 109.5° |
H18 | C18 | H18A | 109.5° | 109.5° |
H19 | C19 | H19A | 110.0° | 109.5° |
HN20 | N20 | HN2A | 120.0° | 120.0° |
C25 | C21 | C22 | 103.0° | 107.6° |
C21 | C25 | N24 | 112.4° | 108.1° |
C21 | C25 | H25 | 123.8° | 126.0° |
C21 | C22 | N23 | 107.9° | 107.6° |
C21 | C22 | H22 | 126.1° | 126.2° |
N23 | C22 | H22 | 126.0° | 126.2° |
C22 | N23 | N24 | 111.9° | 108.2° |
C22 | N23 | C26 | 125.4° | 125.9° |
N24 | N23 | C26 | 120.3° | 125.9° |
N23 | N24 | C25 | 104.8° | 108.6° |
N23 | C26 | H26 | 109.5° | 109.4° |
N23 | C26 | H26A | 109.4° | 109.5° |
N23 | C26 | H26B | 109.5° | 109.5° |
N24 | C25 | H25 | 123.8° | 126.0° |
H26 | C26 | H26A | 109.4° | 109.5° |
H26 | C26 | H26B | 109.5° | 109.4° |
H26A | C26 | H26B | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | C | C3 | C8 | 163.0° | 179.7° |
C | C1 | N | C11 | 163.0° | 180.0° |
C | C1 | N | C2 | 12.7° | 0.0° |
C | C1 | N | HN | 167.4° | 180.0° |
C1 | C | C3 | C2 | 15.9° | 0.4° |
C1 | C | C3 | C7 | 176.2° | 179.9° |
C1 | C | C8 | C9 | 10.5° | 0.0° |
C1 | C | C8 | H8 | 169.5° | 180.0° |
C | C1 | C11 | C10 | 7.1° | 0.1° |
C | C1 | C11 | H11 | 172.9° | 180.0° |
C3 | C | C1 | N | 17.3° | 0.2° |
C3 | C | C1 | C11 | 178.8° | 179.8° |
C | C3 | C2 | N | 8.3° | 0.4° |
C | C3 | C2 | C4 | 170.1° | 179.8° |
C | C3 | C2 | C7 | 164.5° | 179.6° |
C | C3 | C7 | N6 | 157.8° | 179.4° |
C | C3 | C7 | N13 | 1.7° | 0.5° |
C3 | C | C8 | C9 | 151.3° | 179.7° |
C3 | C | C8 | H8 | 28.7° | 0.4° |
C8 | C | C1 | N | 175.9° | 179.9° |
C8 | C | C1 | C11 | 12.0° | 0.0° |
C8 | C | C3 | C2 | 178.9° | 180.0° |
C8 | C | C3 | C7 | 20.7° | 0.4° |
C | C8 | C9 | H8 | 180.0° | 180.0° |
C | C8 | C9 | C10 | 38.8° | 0.0° |
C | C8 | C9 | H9 | 141.2° | 180.0° |
C1 | N | C2 | HN | 180.0° | 180.0° |
C1 | N | C2 | C4 | 157.2° | 180.0° |
C1 | N | C2 | C3 | 2.8° | 0.2° |
N | C1 | C11 | C10 | 167.2° | 179.9° |
N | C1 | C11 | H11 | 12.8° | 0.0° |
C11 | C1 | N | C2 | 175.7° | 180.0° |
C11 | C1 | N | HN | 4.4° | 0.0° |
C1 | C11 | C10 | C9 | 19.7° | 0.1° |
C1 | C11 | C10 | H11 | 180.0° | 179.9° |
C1 | C11 | C10 | C21 | 168.2° | 180.0° |
N | C2 | C4 | C3 | 157.6° | 179.8° |
N | C2 | C3 | C7 | 172.8° | 180.0° |
N | C2 | C4 | C12 | 15.4° | 0.0° |
N | C2 | C4 | C5 | 173.9° | 180.0° |
HN | N | C2 | C4 | 22.8° | 0.0° |
HN | N | C2 | C3 | 177.2° | 179.8° |
C4 | C2 | C3 | C7 | 25.3° | 0.2° |
C2 | C4 | C12 | C5 | 156.3° | 180.0° |
C2 | C4 | C5 | N6 | 5.5° | 0.1° |
C2 | C4 | C5 | H5 | 174.5° | 180.0° |
C2 | C4 | C12 | N20 | 158.7° | 180.0° |
C2 | C4 | C12 | O | 42.7° | 0.1° |
C3 | C2 | C4 | C12 | 173.0° | 179.7° |
C3 | C2 | C4 | C5 | 28.5° | 0.2° |
C2 | C3 | C7 | N6 | 1.2° | 0.1° |
C2 | C3 | C7 | N13 | 160.6° | 180.0° |
C3 | C7 | N6 | C5 | 23.8° | 0.4° |
C3 | C7 | N6 | N13 | 160.1° | 179.9° |
C3 | C7 | N13 | C14 | 177.7° | 180.0° |
C3 | C7 | N13 | HN13 | 57.7° | 0.0° |
C12 | C4 | C5 | N6 | 162.5° | 180.0° |
C12 | C4 | C5 | H5 | 17.5° | 0.1° |
C4 | C12 | N20 | O | 156.1° | 179.9° |
C4 | C12 | N20 | HN20 | 156.1° | 0.0° |
C4 | C12 | N20 | HN2A | 23.9° | 179.9° |
C4 | C5 | N6 | H5 | 180.0° | 179.9° |
C4 | C5 | N6 | C7 | 20.5° | 0.4° |
C5 | C4 | C12 | N20 | 2.4° | 0.0° |
C5 | C4 | C12 | O | 161.0° | 180.0° |
C5 | N6 | C7 | N13 | 176.1° | 179.7° |
H5 | C5 | N6 | C7 | 159.6° | 179.7° |
N6 | C7 | N13 | C14 | 22.8° | 0.1° |
N6 | C7 | N13 | HN13 | 142.8° | 179.9° |
C7 | N13 | C14 | HN13 | 120.0° | 180.0° |
C7 | N13 | C14 | C19 | 92.4° | 85.0° |
C7 | N13 | C14 | C15 | 141.5° | 155.0° |
C7 | N13 | C14 | H14 | 24.9° | 35.0° |
C8 | C9 | C10 | H9 | 180.0° | 180.0° |
C8 | C9 | C10 | C11 | 43.7° | 0.0° |
C8 | C9 | C10 | C21 | 167.7° | 180.0° |
H8 | C8 | C9 | C10 | 141.2° | 180.0° |
H8 | C8 | C9 | H9 | 38.8° | 0.0° |
C9 | C10 | C11 | C21 | 148.5° | 180.0° |
C9 | C10 | C11 | H11 | 160.4° | 180.0° |
C9 | C10 | C21 | C25 | 168.8° | 179.7° |
C9 | C10 | C21 | C22 | 30.4° | 0.0° |
H9 | C9 | C10 | C11 | 136.3° | 179.9° |
H9 | C9 | C10 | C21 | 12.3° | 0.0° |
C11 | C10 | C21 | C25 | 43.7° | 0.3° |
C11 | C10 | C21 | C22 | 117.1° | 179.9° |
C21 | C10 | C11 | H11 | 11.8° | 0.1° |
C10 | C21 | C25 | C22 | 163.5° | 179.8° |
C10 | C21 | C22 | N23 | 163.1° | 180.0° |
C10 | C21 | C22 | H22 | 16.9° | 0.0° |
C10 | C21 | C25 | N24 | 162.5° | 179.8° |
C10 | C21 | C25 | H25 | 17.5° | 0.1° |
C12 | N20 | HN20 | HN2A | 180.0° | 180.0° |
O | C12 | N20 | HN20 | 0.0° | 180.0° |
O | C12 | N20 | HN2A | 180.0° | 0.0° |
N13 | C14 | C19 | C15 | 123.6° | 120.0° |
N13 | C14 | C19 | H14 | 120.2° | 120.0° |
N13 | C14 | C15 | H14 | 120.1° | 120.0° |
N13 | C14 | C15 | C16 | 171.1° | 180.0° |
N13 | C14 | C15 | H15 | 68.9° | 60.0° |
N13 | C14 | C15 | H15A | 51.0° | 60.0° |
N13 | C14 | C19 | C18 | 174.8° | 180.0° |
N13 | C14 | C19 | H19 | 54.8° | 60.0° |
N13 | C14 | C19 | H19A | 65.3° | 60.0° |
HN13 | N13 | C14 | C19 | 147.6° | 95.0° |
HN13 | N13 | C14 | C15 | 21.5° | 25.0° |
HN13 | N13 | C14 | H14 | 95.1° | 145.0° |
C19 | C14 | C15 | H14 | 116.9° | 120.1° |
C19 | C14 | C15 | C16 | 48.1° | 60.1° |
C19 | C14 | C15 | H15 | 168.1° | 180.0° |
C19 | C14 | C15 | H15A | 71.9° | 60.0° |
C14 | C19 | C18 | C17 | 57.4° | 60.0° |
C14 | C19 | C18 | H19 | 120.0° | 120.0° |
C14 | C19 | C18 | H19A | 120.0° | 120.0° |
C14 | C19 | C18 | H18 | 62.6° | 60.0° |
C14 | C19 | C18 | H18A | 177.4° | 180.0° |
C14 | C19 | H19 | H19A | 119.4° | 120.0° |
C14 | C15 | C16 | H15 | 120.0° | 120.0° |
C14 | C15 | C16 | H15A | 120.0° | 120.0° |
C14 | C15 | H15 | H15A | 119.1° | 120.0° |
C14 | C15 | C16 | C17 | 51.3° | 60.0° |
C14 | C15 | C16 | H16 | 68.6° | 60.0° |
C14 | C15 | C16 | H16A | 171.4° | 179.9° |
C15 | C14 | C19 | C18 | 51.2° | 60.0° |
C15 | C14 | C19 | H19 | 68.8° | 60.0° |
C15 | C14 | C19 | H19A | 171.2° | 179.9° |
H14 | C14 | C15 | C16 | 68.8° | 60.0° |
H14 | C14 | C15 | H15 | 51.2° | 60.0° |
H14 | C14 | C15 | H15A | 171.1° | 180.0° |
H14 | C14 | C19 | C18 | 65.0° | 60.0° |
H14 | C14 | C19 | H19 | 175.0° | 180.0° |
H14 | C14 | C19 | H19A | 54.9° | 60.0° |
C16 | C15 | H15 | H15A | 119.1° | 120.0° |
C15 | C16 | C17 | H16 | 120.0° | 120.1° |
C15 | C16 | C17 | H16A | 120.0° | 119.9° |
C15 | C16 | H16 | H16A | 119.2° | 120.0° |
C15 | C16 | C17 | C18 | 59.1° | 60.0° |
C15 | C16 | C17 | H17 | 179.1° | 179.9° |
C15 | C16 | C17 | H17A | 60.9° | 60.0° |
H15 | C15 | C16 | C17 | 171.4° | 179.9° |
H15 | C15 | C16 | H16 | 51.4° | 60.0° |
H15 | C15 | C16 | H16A | 68.6° | 60.0° |
H15A | C15 | C16 | C17 | 68.6° | 60.0° |
H15A | C15 | C16 | H16 | 171.4° | 180.0° |
H15A | C15 | C16 | H16A | 51.4° | 59.9° |
C17 | C16 | H16 | H16A | 119.2° | 120.0° |
C16 | C17 | C18 | H17 | 120.0° | 120.0° |
C16 | C17 | C18 | H17A | 120.0° | 120.0° |
C16 | C17 | H17 | H17A | 119.8° | 120.0° |
C16 | C17 | C18 | C19 | 61.7° | 60.1° |
C16 | C17 | C18 | H18 | 58.3° | 60.0° |
C16 | C17 | C18 | H18A | 178.3° | 180.0° |
H16 | C16 | C17 | C18 | 60.9° | 60.0° |
H16 | C16 | C17 | H17 | 59.1° | 60.0° |
H16 | C16 | C17 | H17A | 179.1° | 180.0° |
H16A | C16 | C17 | C18 | 179.1° | 180.0° |
H16A | C16 | C17 | H17 | 60.9° | 60.0° |
H16A | C16 | C17 | H17A | 59.1° | 59.9° |
C18 | C17 | H17 | H17A | 119.8° | 120.0° |
C17 | C18 | C19 | H18 | 120.0° | 120.0° |
C17 | C18 | C19 | H18A | 120.0° | 119.9° |
C17 | C18 | H18 | H18A | 119.9° | 120.0° |
C17 | C18 | C19 | H19 | 62.6° | 60.0° |
C17 | C18 | C19 | H19A | 177.4° | 180.0° |
H17 | C17 | C18 | C19 | 178.3° | 180.0° |
H17 | C17 | C18 | H18 | 61.7° | 60.0° |
H17 | C17 | C18 | H18A | 58.3° | 60.1° |
H17A | C17 | C18 | C19 | 58.3° | 60.0° |
H17A | C17 | C18 | H18 | 178.3° | NaN° |
H17A | C17 | C18 | H18A | 61.7° | 60.0° |
C19 | C18 | H18 | H18A | 119.9° | 120.0° |
C18 | C19 | H19 | H19A | 119.4° | 120.0° |
H18 | C18 | C19 | H19 | 177.4° | 180.0° |
H18 | C18 | C19 | H19A | 57.4° | 60.0° |
H18A | C18 | C19 | H19 | 57.4° | 60.0° |
H18A | C18 | C19 | H19A | 62.6° | 60.0° |
C25 | C21 | C22 | N23 | 2.5° | 0.2° |
C25 | C21 | C22 | H22 | 177.5° | 179.8° |
C21 | C25 | N24 | N23 | 1.0° | 0.4° |
C21 | C25 | N24 | H25 | 180.0° | 180.0° |
C21 | C22 | N23 | H22 | 180.0° | 180.0° |
C21 | C22 | N23 | N24 | 3.4° | 0.0° |
C21 | C22 | N23 | C26 | 165.7° | 180.0° |
C22 | C21 | C25 | N24 | 1.0° | 0.4° |
C22 | C21 | C25 | H25 | 179.0° | 179.7° |
C22 | N23 | N24 | C26 | 163.3° | 180.0° |
C22 | N23 | N24 | C25 | 2.6° | 0.2° |
C22 | N23 | C26 | H26 | 160.9° | 90.0° |
C22 | N23 | C26 | H26A | 41.0° | 150.0° |
C22 | N23 | C26 | H26B | 79.0° | 30.0° |
H22 | C22 | N23 | N24 | 176.6° | 180.0° |
H22 | C22 | N23 | C26 | 14.3° | 0.0° |
N23 | N24 | C25 | H25 | 179.1° | 179.7° |
N24 | N23 | C26 | H26 | 0.0° | 90.1° |
N24 | N23 | C26 | H26A | 120.0° | 30.0° |
N24 | N23 | C26 | H26B | 120.0° | 150.0° |
C26 | N23 | N24 | C25 | 166.0° | 179.8° |
N23 | C26 | H26 | H26A | 120.0° | 120.0° |
N23 | C26 | H26 | H26B | 120.0° | 120.0° |
N23 | C26 | H26A | H26B | 120.0° | 120.0° |
H26 | C26 | H26A | H26B | 120.0° | 120.0° |