FNZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C1 | C10 | sing | 1.51Å | 1.53Å | |
C1 | N2 | sing | 1.46Å | 1.48Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | O2 | sing | 1.43Å | 1.43Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | C4 | sing | 1.51Å | 1.51Å | |
C3 | H3C1 | sing | 1.09Å | 1.10Å | |
C3 | H3C2 | sing | 1.09Å | 1.10Å | |
C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
C4 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
C5 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
C7 | F7 | sing | 1.35Å | 1.37Å | |
C8 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C9 | H9 | sing | 1.08Å | 1.08Å | |
C10 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
C10 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
C11 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C12 | C13 | doub | 1.40Å | 1.41Å | Aromatic |
C12 | H12 | sing | 1.08Å | 1.08Å | |
C13 | C14 | sing | 1.40Å | 1.41Å | Aromatic |
C13 | C16 | sing | 1.43Å | 1.44Å | |
C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
C14 | H14 | sing | 1.08Å | 1.08Å | |
C15 | H15 | sing | 1.08Å | 1.08Å | |
C16 | N1 | trip | 1.14Å | 1.14Å | |
C17 | N3 | doub | 1.31Å | 1.31Å | Aromatic |
C17 | N4 | sing | 1.33Å | 1.32Å | Aromatic |
C17 | H17 | sing | 1.08Å | 1.08Å | |
C18 | N2 | sing | 1.34Å | 1.36Å | Aromatic |
C18 | N4 | doub | 1.31Å | 1.31Å | Aromatic |
C18 | H18 | sing | 1.08Å | 1.08Å | |
O2 | HA | sing | 0.97Å | 0.95Å | |
N2 | N3 | sing | 1.40Å | 1.36Å | Aromatic |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | C10 | 114.0° | 109.5° |
C2 | C1 | N2 | 108.0° | 109.5° |
C2 | C1 | H1 | 108.5° | 109.5° |
C1 | C2 | C3 | 111.1° | 109.5° |
C1 | C2 | O2 | 109.8° | 109.5° |
C1 | C2 | H2 | 108.1° | 109.5° |
C10 | C1 | N2 | 112.6° | 109.5° |
C10 | C1 | H1 | 103.6° | 109.5° |
C1 | C10 | C11 | 122.1° | 119.8° |
C1 | C10 | C15 | 120.0° | 119.9° |
N2 | C1 | H1 | 110.1° | 109.5° |
C1 | N2 | C18 | 131.4° | 126.8° |
C1 | N2 | N3 | 119.8° | 126.8° |
C3 | C2 | O2 | 109.5° | 109.5° |
C3 | C2 | H2 | 108.5° | 109.5° |
C2 | C3 | C4 | 110.5° | 109.5° |
C2 | C3 | H3C1 | 108.9° | 109.4° |
C2 | C3 | H3C2 | 109.1° | 109.5° |
O2 | C2 | H2 | 109.8° | 109.5° |
C2 | O2 | HA | 109.5° | 106.7° |
C4 | C3 | H3C1 | 108.9° | 109.5° |
C4 | C3 | H3C2 | 109.1° | 109.5° |
C3 | C4 | C5 | 120.8° | 120.0° |
C3 | C4 | C9 | 120.9° | 120.0° |
H3C1 | C3 | H3C2 | 110.2° | 109.5° |
C5 | C4 | C9 | 118.2° | 120.0° |
C4 | C5 | C6 | 121.4° | 120.0° |
C4 | C5 | H5 | 119.3° | 120.0° |
C4 | C9 | C8 | 121.2° | 120.0° |
C4 | C9 | H9 | 119.4° | 120.0° |
C6 | C5 | H5 | 119.3° | 120.0° |
C5 | C6 | C7 | 118.8° | 120.0° |
C5 | C6 | H6 | 120.6° | 120.0° |
C7 | C6 | H6 | 120.6° | 120.0° |
C6 | C7 | C8 | 121.3° | 119.9° |
C6 | C7 | F7 | 119.4° | 120.0° |
C8 | C7 | F7 | 119.3° | 120.0° |
C7 | C8 | C9 | 119.1° | 120.0° |
C7 | C8 | H8 | 120.5° | 120.1° |
C9 | C8 | H8 | 120.4° | 120.0° |
C8 | C9 | H9 | 119.4° | 120.0° |
C11 | C10 | C15 | 117.9° | 120.3° |
C10 | C11 | C12 | 121.8° | 120.1° |
C10 | C11 | H11 | 119.1° | 120.0° |
C10 | C15 | C14 | 122.3° | 120.2° |
C10 | C15 | H15 | 118.9° | 119.9° |
C12 | C11 | H11 | 119.1° | 119.9° |
C11 | C12 | C13 | 118.4° | 119.9° |
C11 | C12 | H12 | 120.8° | 120.1° |
C13 | C12 | H12 | 120.8° | 120.1° |
C12 | C13 | C14 | 120.9° | 119.7° |
C12 | C13 | C16 | 120.1° | 120.1° |
C14 | C13 | C16 | 119.0° | 120.2° |
C13 | C14 | C15 | 118.7° | 119.9° |
C13 | C14 | H14 | 120.6° | 120.1° |
C13 | C16 | N1 | 179.7° | 180.0° |
C15 | C14 | H14 | 120.6° | 120.1° |
C14 | C15 | H15 | 118.9° | 119.9° |
N3 | C17 | N4 | 116.2° | 109.0° |
N3 | C17 | H17 | 121.9° | 125.6° |
C17 | N3 | N2 | 101.9° | 106.8° |
N4 | C17 | H17 | 121.9° | 125.5° |
C17 | N4 | C18 | 103.6° | 109.8° |
N2 | C18 | N4 | 109.5° | 108.1° |
N2 | C18 | H18 | 125.3° | 126.0° |
C18 | N2 | N3 | 108.8° | 106.4° |
N4 | C18 | H18 | 125.2° | 125.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | C10 | N2 | 123.5° | 120.0° |
C2 | C1 | C10 | H1 | 117.7° | 120.0° |
C2 | C1 | N2 | H1 | 118.3° | 120.0° |
C1 | C2 | C3 | O2 | 121.4° | 120.0° |
C1 | C2 | C3 | H2 | 118.7° | 120.0° |
C1 | C2 | O2 | H2 | 118.8° | 120.0° |
C1 | C2 | C3 | C4 | 171.6° | 175.0° |
C1 | C2 | C3 | H3C1 | 68.8° | 55.0° |
C1 | C2 | C3 | H3C2 | 51.6° | 65.0° |
C2 | C1 | C10 | C11 | 48.1° | 120.5° |
C2 | C1 | C10 | C15 | 130.9° | 59.8° |
C2 | C1 | N2 | C18 | 122.5° | 35.8° |
C1 | C2 | O2 | HA | 168.8° | 60.0° |
C2 | C1 | N2 | N3 | 57.2° | 144.6° |
C10 | C1 | N2 | H1 | 115.0° | 120.0° |
C10 | C1 | C2 | C3 | 56.7° | 180.0° |
C10 | C1 | C2 | O2 | 64.5° | 60.0° |
C10 | C1 | C2 | H2 | 175.7° | 60.0° |
C1 | C10 | C11 | C15 | 179.0° | 179.7° |
C1 | C10 | C11 | C12 | 177.4° | 180.0° |
C1 | C10 | C11 | H11 | 2.6° | 0.0° |
C1 | C10 | C15 | C14 | 177.1° | 179.8° |
C1 | C10 | C15 | H15 | 2.9° | 0.3° |
C10 | C1 | N2 | C18 | 4.2° | 84.2° |
C10 | C1 | N2 | N3 | 176.1° | 95.5° |
N2 | C1 | C2 | C3 | 177.4° | 60.0° |
N2 | C1 | C2 | O2 | 61.4° | 180.0° |
N2 | C1 | C2 | H2 | 58.4° | 60.0° |
N2 | C1 | C10 | C11 | 75.4° | 119.5° |
N2 | C1 | C10 | C15 | 105.6° | 60.2° |
C1 | N2 | N3 | C17 | 180.0° | 179.9° |
C1 | N2 | C18 | N3 | 179.8° | 179.7° |
C1 | N2 | C18 | N4 | 179.1° | 180.0° |
C1 | N2 | C18 | H18 | 0.9° | 0.1° |
H1 | C1 | C2 | C3 | 58.1° | 60.0° |
H1 | C1 | C2 | O2 | 179.3° | 60.0° |
H1 | C1 | C2 | H2 | 60.9° | 180.0° |
H1 | C1 | C10 | C11 | 165.7° | 0.5° |
H1 | C1 | C10 | C15 | 13.2° | 179.8° |
H1 | C1 | N2 | C18 | 119.2° | 155.8° |
H1 | C1 | N2 | N3 | 61.1° | 24.6° |
C3 | C2 | O2 | H2 | 119.0° | 120.0° |
C2 | C3 | C4 | H3C1 | 119.6° | 119.9° |
C2 | C3 | C4 | H3C2 | 120.0° | 120.0° |
C2 | C3 | H3C1 | H3C2 | 119.7° | 120.0° |
C2 | C3 | C4 | C5 | 88.9° | 90.0° |
C2 | C3 | C4 | C9 | 90.2° | 90.3° |
C3 | C2 | O2 | HA | 46.6° | 60.0° |
O2 | C2 | C3 | C4 | 67.0° | 65.0° |
O2 | C2 | C3 | H3C1 | 52.7° | 175.0° |
O2 | C2 | C3 | H3C2 | 173.0° | 55.0° |
H2 | C2 | C3 | C4 | 52.9° | 55.0° |
H2 | C2 | C3 | H3C1 | 172.5° | 65.0° |
H2 | C2 | C3 | H3C2 | 67.2° | 175.0° |
H2 | C2 | O2 | HA | 72.4° | 180.0° |
C4 | C3 | H3C1 | H3C2 | 119.7° | 120.1° |
C3 | C4 | C5 | C9 | 179.1° | 179.7° |
C3 | C4 | C5 | C6 | 178.2° | 180.0° |
C3 | C4 | C5 | H5 | 1.9° | 0.1° |
C3 | C4 | C9 | C8 | 178.9° | 179.8° |
C3 | C4 | C9 | H9 | 1.1° | 0.2° |
H3C1 | C3 | C4 | C5 | 151.5° | 29.9° |
H3C1 | C3 | C4 | C9 | 29.4° | 149.7° |
H3C2 | C3 | C4 | C5 | 31.1° | 150.0° |
H3C2 | C3 | C4 | C9 | 149.8° | 29.7° |
C4 | C5 | C6 | H5 | 180.0° | 179.9° |
C4 | C5 | C6 | C7 | 0.8° | 0.1° |
C4 | C5 | C6 | H6 | 179.2° | 179.9° |
C5 | C4 | C9 | C8 | 0.2° | 0.6° |
C5 | C4 | C9 | H9 | 179.8° | 179.9° |
C9 | C4 | C5 | C6 | 1.0° | 0.4° |
C9 | C4 | C5 | H5 | 179.0° | 179.7° |
C4 | C9 | C8 | C7 | 0.7° | 0.5° |
C4 | C9 | C8 | H9 | 180.0° | 179.5° |
C4 | C9 | C8 | H8 | 179.3° | 179.7° |
C5 | C6 | C7 | H6 | 180.0° | 180.0° |
C5 | C6 | C7 | C8 | 0.1° | 0.0° |
C5 | C6 | C7 | F7 | 179.9° | 180.0° |
H5 | C5 | C6 | C7 | 179.2° | 180.0° |
H5 | C5 | C6 | H6 | 0.9° | 0.0° |
C6 | C7 | C8 | F7 | 180.0° | 180.0° |
C6 | C7 | C8 | C9 | 0.9° | 0.3° |
C6 | C7 | C8 | H8 | 179.1° | 180.0° |
H6 | C6 | C7 | C8 | 179.9° | 179.9° |
H6 | C6 | C7 | F7 | 0.1° | 0.0° |
C7 | C8 | C9 | H8 | 180.0° | 179.8° |
C7 | C8 | C9 | H9 | 179.3° | 179.9° |
F7 | C7 | C8 | C9 | 179.2° | 179.8° |
F7 | C7 | C8 | H8 | 0.8° | 0.0° |
H8 | C8 | C9 | H9 | 0.7° | 0.2° |
C10 | C11 | C12 | H11 | 180.0° | 180.0° |
C10 | C11 | C12 | C13 | 0.2° | 0.0° |
C10 | C11 | C12 | H12 | 179.8° | 179.9° |
C11 | C10 | C15 | C14 | 1.9° | 0.5° |
C11 | C10 | C15 | H15 | 178.1° | 180.0° |
C15 | C10 | C11 | C12 | 1.6° | 0.3° |
C15 | C10 | C11 | H11 | 178.4° | 179.7° |
C10 | C15 | C14 | C13 | 0.4° | 0.5° |
C10 | C15 | C14 | H15 | 180.0° | 179.5° |
C10 | C15 | C14 | H14 | 179.6° | 179.7° |
C11 | C12 | C13 | H12 | 180.0° | 180.0° |
C11 | C12 | C13 | C14 | 1.8° | 0.0° |
C11 | C12 | C13 | C16 | 178.1° | 180.0° |
H11 | C11 | C12 | C13 | 179.8° | 180.0° |
H11 | C11 | C12 | H12 | 0.2° | 0.0° |
C12 | C13 | C14 | C16 | 179.9° | 180.0° |
C12 | C13 | C14 | C15 | 1.5° | 0.2° |
C12 | C13 | C14 | H14 | 178.5° | 180.0° |
C12 | C13 | C16 | N1 | 147.9° | 160.0° |
H12 | C12 | C13 | C14 | 178.2° | 180.0° |
H12 | C12 | C13 | C16 | 1.9° | 0.0° |
C13 | C14 | C15 | H14 | 180.0° | 179.8° |
C13 | C14 | C15 | H15 | 179.6° | 180.0° |
C14 | C13 | C16 | N1 | 32.0° | 19.9° |
C16 | C13 | C14 | C15 | 178.4° | 179.8° |
C16 | C13 | C14 | H14 | 1.6° | 0.0° |
H14 | C14 | C15 | H15 | 0.4° | 0.2° |
N3 | C17 | N4 | H17 | 180.0° | 179.7° |
C17 | N3 | N2 | C18 | 0.2° | 0.4° |
N3 | C17 | N4 | C18 | 1.5° | 0.3° |
C17 | N4 | C18 | N2 | 1.5° | 0.0° |
C17 | N4 | C18 | H18 | 178.5° | 180.0° |
N4 | C17 | N3 | N2 | 0.8° | 0.4° |
H17 | C17 | N4 | C18 | 178.5° | 180.0° |
H17 | C17 | N3 | N2 | 179.2° | 179.9° |
N2 | C18 | N4 | H18 | 180.0° | 179.9° |
N4 | C18 | N2 | N3 | 1.1° | 0.3° |
H18 | C18 | N2 | N3 | 178.9° | 179.8° |