FZA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O24 | C25 | sing | 1.43Å | 1.43Å | |
O24 | C6 | sing | 1.36Å | 1.37Å | |
O11 | C10 | doub | 1.22Å | 1.23Å | |
C15 | C16 | sing | 1.53Å | 1.55Å | |
C15 | C14 | sing | 1.51Å | 1.50Å | |
C6 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
C6 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
C10 | N9 | sing | 1.35Å | 1.41Å | |
C10 | C5 | sing | 1.47Å | 1.41Å | |
C16 | N9 | sing | 1.47Å | 1.48Å | |
C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
N9 | C8 | sing | 1.45Å | 1.44Å | |
C5 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
C28 | O27 | sing | 1.43Å | 1.42Å | |
C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
O27 | C23 | sing | 1.36Å | 1.37Å | |
C4 | N7 | sing | 1.37Å | 1.41Å | |
C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
C14 | C12 | doub | 1.35Å | 1.46Å | Aromatic |
C14 | C19 | sing | 1.45Å | 1.39Å | Aromatic |
N7 | C8 | sing | 1.44Å | 1.44Å | |
N7 | C26 | sing | 1.47Å | 1.48Å | |
C8 | C12 | sing | 1.51Å | 1.48Å | |
C12 | N17 | sing | 1.37Å | 1.36Å | Aromatic |
C23 | C19 | doub | 1.40Å | 1.38Å | Aromatic |
C23 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
C19 | C18 | sing | 1.42Å | 1.48Å | Aromatic |
N17 | C18 | sing | 1.37Å | 1.36Å | Aromatic |
C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
C18 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
C1 | H1 | sing | 1.08Å | 1.08Å | |
C8 | H2 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C2 | H4 | sing | 1.08Å | 1.08Å | |
C25 | H5 | sing | 1.09Å | 1.10Å | |
C25 | H6 | sing | 1.09Å | 1.10Å | |
C25 | H7 | sing | 1.09Å | 1.10Å | |
C26 | H8 | sing | 1.09Å | 1.10Å | |
C26 | H9 | sing | 1.09Å | 1.10Å | |
C26 | H10 | sing | 1.09Å | 1.10Å | |
N17 | H11 | sing | 0.97Å | 1.00Å | |
C20 | H12 | sing | 1.08Å | 1.08Å | |
C21 | H13 | sing | 1.08Å | 1.08Å | |
C22 | H14 | sing | 1.08Å | 1.08Å | |
C28 | H15 | sing | 1.09Å | 1.10Å | |
C28 | H16 | sing | 1.09Å | 1.10Å | |
C28 | H17 | sing | 1.09Å | 1.10Å | |
C15 | H18 | sing | 1.09Å | 1.10Å | |
C15 | H19 | sing | 1.09Å | 1.10Å | |
C16 | H20 | sing | 1.09Å | 1.10Å | |
C16 | H21 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C25 | O24 | C6 | 118.4° | 117.0° |
O24 | C25 | H5 | 109.5° | 109.5° |
O24 | C25 | H6 | 109.4° | 109.5° |
O24 | C25 | H7 | 109.4° | 109.5° |
O24 | C6 | C1 | 117.7° | 120.2° |
O24 | C6 | C5 | 121.9° | 120.2° |
O11 | C10 | N9 | 119.4° | 120.6° |
O11 | C10 | C5 | 119.2° | 120.7° |
C16 | C15 | C14 | 105.9° | 109.1° |
C15 | C16 | N9 | 112.0° | 109.2° |
C16 | C15 | H18 | 110.4° | 109.5° |
C16 | C15 | H19 | 110.4° | 109.6° |
C15 | C16 | H20 | 108.8° | 109.5° |
C15 | C16 | H21 | 108.8° | 109.5° |
C15 | C14 | C12 | 117.6° | 124.4° |
C15 | C14 | C19 | 136.2° | 128.6° |
C14 | C15 | H18 | 110.4° | 109.1° |
C14 | C15 | H19 | 110.4° | 109.9° |
C1 | C6 | C5 | 120.4° | 119.6° |
C6 | C1 | C2 | 120.8° | 119.9° |
C6 | C1 | H1 | 119.6° | 120.0° |
C6 | C5 | C10 | 120.3° | 120.6° |
C6 | C5 | C4 | 118.1° | 120.5° |
N9 | C10 | C5 | 121.3° | 118.7° |
C10 | N9 | C16 | 124.6° | 118.6° |
C10 | N9 | C8 | 113.9° | 122.2° |
C10 | C5 | C4 | 121.6° | 118.9° |
C16 | N9 | C8 | 119.7° | 119.2° |
N9 | C16 | H20 | 108.8° | 109.9° |
N9 | C16 | H21 | 108.8° | 109.2° |
C1 | C2 | C3 | 119.5° | 120.9° |
C2 | C1 | H1 | 119.6° | 120.1° |
C1 | C2 | H4 | 120.3° | 119.6° |
N9 | C8 | N7 | 122.3° | 117.0° |
N9 | C8 | C12 | 114.6° | 108.8° |
N9 | C8 | H2 | 94.3° | 106.1° |
C5 | C4 | N7 | 120.2° | 122.0° |
C5 | C4 | C3 | 120.4° | 118.7° |
C28 | O27 | C23 | 122.3° | 117.0° |
O27 | C28 | H15 | 109.5° | 109.4° |
O27 | C28 | H16 | 109.5° | 109.4° |
O27 | C28 | H17 | 109.5° | 109.4° |
C2 | C3 | C4 | 120.8° | 120.5° |
C2 | C3 | H3 | 119.6° | 119.8° |
C3 | C2 | H4 | 120.3° | 119.6° |
O27 | C23 | C19 | 119.2° | 121.7° |
O27 | C23 | C22 | 120.9° | 121.6° |
N7 | C4 | C3 | 119.4° | 119.4° |
C4 | N7 | C8 | 114.7° | 119.4° |
C4 | N7 | C26 | 121.3° | 111.0° |
C4 | C3 | H3 | 119.6° | 119.7° |
C12 | C14 | C19 | 106.2° | 107.0° |
C14 | C12 | C8 | 121.9° | 123.3° |
C14 | C12 | N17 | 110.1° | 109.9° |
C14 | C19 | C23 | 135.3° | 132.6° |
C14 | C19 | C18 | 105.8° | 106.1° |
C8 | N7 | C26 | 121.1° | 111.0° |
N7 | C8 | C12 | 121.4° | 111.2° |
N7 | C8 | H2 | 94.3° | 106.7° |
N7 | C26 | H8 | 109.5° | 109.5° |
N7 | C26 | H9 | 109.5° | 109.5° |
N7 | C26 | H10 | 109.5° | 109.5° |
C8 | C12 | N17 | 127.4° | 126.9° |
C12 | C8 | H2 | 94.2° | 106.4° |
C12 | N17 | C18 | 108.6° | 109.7° |
C12 | N17 | H11 | 125.7° | 125.1° |
C19 | C23 | C22 | 119.9° | 116.7° |
C23 | C19 | C18 | 118.9° | 121.3° |
C23 | C22 | C21 | 121.1° | 121.8° |
C23 | C22 | H14 | 119.4° | 119.1° |
C19 | C18 | N17 | 109.2° | 107.3° |
C19 | C18 | C20 | 119.2° | 120.7° |
N17 | C18 | C20 | 131.6° | 132.0° |
C18 | N17 | H11 | 125.7° | 125.1° |
C22 | C21 | C20 | 121.1° | 122.3° |
C22 | C21 | H13 | 119.4° | 118.8° |
C21 | C22 | H14 | 119.5° | 119.1° |
C18 | C20 | C21 | 119.8° | 117.2° |
C18 | C20 | H12 | 120.1° | 121.4° |
C21 | C20 | H12 | 120.1° | 121.4° |
C20 | C21 | H13 | 119.5° | 118.9° |
H5 | C25 | H6 | 109.5° | 109.5° |
H5 | C25 | H7 | 109.5° | 109.4° |
H6 | C25 | H7 | 109.5° | 109.5° |
H8 | C26 | H9 | 109.5° | 109.5° |
H8 | C26 | H10 | 109.4° | 109.5° |
H9 | C26 | H10 | 109.5° | 109.4° |
H15 | C28 | H16 | 109.4° | 109.5° |
H15 | C28 | H17 | 109.5° | 109.6° |
H16 | C28 | H17 | 109.5° | 109.5° |
H18 | C15 | H19 | 109.5° | 109.6° |
H20 | C16 | H21 | 109.5° | 109.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C25 | O24 | C6 | C1 | 38.1° | 0.0° |
C25 | O24 | C6 | C5 | 143.4° | 180.0° |
O24 | C25 | H5 | H6 | 120.0° | 120.0° |
O24 | C25 | H5 | H7 | 120.0° | 120.0° |
O24 | C25 | H6 | H7 | 120.0° | 120.0° |
O24 | C6 | C1 | C5 | 178.5° | 180.0° |
O24 | C6 | C5 | C10 | 0.3° | 0.0° |
O24 | C6 | C1 | C2 | 179.9° | 180.0° |
O24 | C6 | C5 | C4 | 179.9° | 179.9° |
O24 | C6 | C1 | H1 | 0.1° | 0.3° |
C6 | O24 | C25 | H5 | 180.0° | 60.1° |
C6 | O24 | C25 | H6 | 60.0° | 60.0° |
C6 | O24 | C25 | H7 | 60.0° | 180.0° |
O11 | C10 | C5 | C6 | 1.8° | 3.2° |
O11 | C10 | N9 | C5 | 177.3° | 179.9° |
O11 | C10 | N9 | C16 | 5.5° | 2.9° |
O11 | C10 | N9 | C8 | 170.0° | 176.6° |
O11 | C10 | C5 | C4 | 177.7° | 176.6° |
C16 | C15 | C14 | H18 | 119.4° | 119.6° |
C16 | C15 | C14 | H19 | 119.4° | 120.1° |
C15 | C16 | N9 | C10 | 154.6° | 118.6° |
C15 | C16 | N9 | H20 | 120.4° | 120.1° |
C15 | C16 | N9 | H21 | 120.4° | 119.7° |
C15 | C16 | N9 | C8 | 41.7° | 61.9° |
C16 | C15 | C14 | C12 | 42.0° | 18.9° |
C16 | C15 | C14 | C19 | 138.8° | 159.6° |
C16 | C15 | H18 | H19 | 121.7° | 120.3° |
C15 | C16 | H20 | H21 | 118.8° | 120.1° |
C14 | C15 | C16 | N9 | 59.9° | 45.7° |
C15 | C14 | C12 | C19 | 179.4° | 178.8° |
C15 | C14 | C12 | C8 | 4.4° | 0.8° |
C15 | C14 | C12 | N17 | 176.1° | 179.1° |
C15 | C14 | C19 | C23 | 2.5° | 1.1° |
C15 | C14 | C19 | C18 | 178.3° | 178.9° |
C14 | C15 | H18 | H19 | 121.7° | 120.4° |
C14 | C15 | C16 | H20 | 179.7° | 166.0° |
C14 | C15 | C16 | H21 | 60.5° | 73.8° |
C1 | C6 | C5 | C10 | 178.1° | 180.0° |
C6 | C1 | C2 | H1 | 180.0° | 179.7° |
C1 | C6 | C5 | C4 | 1.5° | 0.2° |
C6 | C1 | C2 | C3 | 0.1° | 0.0° |
C6 | C1 | C2 | H4 | 179.9° | 179.8° |
C6 | C5 | C10 | N9 | 179.2° | 176.8° |
C6 | C5 | C10 | C4 | 179.6° | 179.9° |
C5 | C6 | C1 | C2 | 1.6° | 0.0° |
C6 | C5 | C4 | N7 | 178.0° | 179.7° |
C6 | C5 | C4 | C3 | 0.3° | 0.3° |
C5 | C6 | C1 | H1 | 178.4° | 179.7° |
C10 | N9 | C16 | C8 | 163.7° | 179.5° |
N9 | C10 | C5 | C4 | 0.4° | 3.3° |
C10 | N9 | C8 | N7 | 27.7° | 13.1° |
C10 | N9 | C8 | C12 | 166.8° | 140.2° |
C10 | N9 | C8 | H2 | 70.2° | 105.7° |
C10 | N9 | C16 | H20 | 34.2° | 1.5° |
C10 | N9 | C16 | H21 | 85.0° | 121.7° |
C5 | C10 | N9 | C16 | 177.1° | 177.1° |
C5 | C10 | N9 | C8 | 12.6° | 3.4° |
C10 | C5 | C4 | N7 | 1.5° | 0.2° |
C10 | C5 | C4 | C3 | 179.9° | 179.8° |
C16 | N9 | C8 | N7 | 166.9° | 167.4° |
C16 | N9 | C8 | C12 | 1.4° | 40.3° |
C16 | N9 | C8 | H2 | 95.2° | 73.8° |
N9 | C16 | C15 | H18 | 179.3° | 73.6° |
N9 | C16 | C15 | H19 | 59.6° | 166.0° |
N9 | C16 | H20 | H21 | 118.8° | 120.0° |
C1 | C2 | C3 | H4 | 180.0° | 179.8° |
C1 | C2 | C3 | C4 | 1.9° | 0.1° |
C1 | C2 | C3 | H3 | 178.1° | 180.0° |
N9 | C8 | N7 | C4 | 29.0° | 16.3° |
N9 | C8 | C12 | C14 | 18.4° | 7.7° |
N9 | C8 | N7 | C12 | 164.5° | 125.9° |
N9 | C8 | N7 | H2 | 97.9° | 118.5° |
N9 | C8 | N7 | C26 | 170.0° | 147.4° |
N9 | C8 | C12 | H2 | 96.7° | 113.9° |
N9 | C8 | C12 | N17 | 151.7° | 172.4° |
C8 | N9 | C16 | H20 | 162.1° | 178.0° |
C8 | N9 | C16 | H21 | 78.7° | 57.8° |
C5 | C4 | C3 | C2 | 2.0° | 0.2° |
C5 | C4 | N7 | C3 | 178.4° | 179.9° |
C5 | C4 | N7 | C8 | 14.8° | 10.3° |
C5 | C4 | N7 | C26 | 175.7° | 141.3° |
C5 | C4 | C3 | H3 | 178.0° | 179.9° |
C28 | O27 | C23 | C19 | 153.5° | 180.0° |
C28 | O27 | C23 | C22 | 28.2° | 0.0° |
O27 | C28 | H15 | H16 | 120.0° | 119.9° |
O27 | C28 | H15 | H17 | 120.0° | 120.0° |
O27 | C28 | H16 | H17 | 120.0° | 119.9° |
C2 | C3 | C4 | N7 | 176.4° | 179.7° |
C2 | C3 | C4 | H3 | 180.0° | 179.9° |
C3 | C2 | C1 | H1 | 179.9° | 179.7° |
O27 | C23 | C19 | C14 | 1.6° | 0.1° |
O27 | C23 | C19 | C22 | 178.3° | 180.0° |
O27 | C23 | C19 | C18 | 179.3° | 179.9° |
O27 | C23 | C22 | C21 | 179.7° | 179.9° |
O27 | C23 | C22 | H14 | 0.3° | 0.1° |
C23 | O27 | C28 | H15 | 180.0° | 59.9° |
C23 | O27 | C28 | H16 | 60.0° | 60.0° |
C23 | O27 | C28 | H17 | 60.0° | 180.0° |
C4 | N7 | C8 | C26 | 161.0° | 131.1° |
C4 | N7 | C8 | C12 | 166.5° | 142.2° |
C4 | N7 | C8 | H2 | 68.9° | 102.2° |
N7 | C4 | C3 | H3 | 3.6° | 0.2° |
C4 | N7 | C26 | H8 | 180.0° | 64.0° |
C4 | N7 | C26 | H9 | 60.0° | 176.0° |
C4 | N7 | C26 | H10 | 60.0° | 56.1° |
C3 | C4 | N7 | C8 | 166.8° | 169.8° |
C3 | C4 | N7 | C26 | 5.9° | 38.7° |
C4 | C3 | C2 | H4 | 178.1° | 179.7° |
C14 | C12 | C8 | N7 | 147.2° | 138.0° |
C14 | C12 | C8 | N17 | 170.1° | 179.9° |
C12 | C14 | C19 | C23 | 176.7° | 179.8° |
C12 | C14 | C19 | C18 | 2.4° | 0.1° |
C14 | C12 | N17 | C18 | 4.8° | 0.3° |
C14 | C12 | C8 | H2 | 115.1° | 106.1° |
C14 | C12 | N17 | H11 | 175.2° | 179.6° |
C12 | C14 | C15 | H18 | 161.4° | 100.7° |
C12 | C14 | C15 | H19 | 77.4° | 139.1° |
C19 | C14 | C12 | C8 | 176.2° | 179.6° |
C19 | C14 | C12 | N17 | 4.5° | 0.3° |
C14 | C19 | C23 | C18 | 179.1° | 180.0° |
C14 | C19 | C23 | C22 | 179.9° | 179.9° |
C14 | C19 | C18 | N17 | 0.3° | 0.0° |
C14 | C19 | C18 | C20 | 179.7° | 179.9° |
C19 | C14 | C15 | H18 | 19.3° | 80.8° |
C19 | C14 | C15 | H19 | 101.8° | 39.5° |
N7 | C8 | C12 | H2 | 97.7° | 115.8° |
N7 | C8 | C12 | N17 | 42.6° | 42.1° |
C8 | N7 | C26 | H8 | 20.3° | 71.3° |
C8 | N7 | C26 | H9 | 140.3° | 48.7° |
C8 | N7 | C26 | H10 | 99.7° | 168.6° |
C26 | N7 | C8 | C12 | 5.5° | 86.7° |
C26 | N7 | C8 | H2 | 92.1° | 28.9° |
N7 | C26 | H8 | H9 | 120.0° | 120.0° |
N7 | C26 | H8 | H10 | 120.0° | 120.1° |
N7 | C26 | H9 | H10 | 120.0° | 120.0° |
C8 | C12 | N17 | C18 | 175.9° | 179.6° |
C8 | C12 | N17 | H11 | 4.1° | 0.5° |
C12 | N17 | C18 | C19 | 3.1° | 0.2° |
C12 | N17 | C18 | H11 | 180.0° | 179.9° |
C12 | N17 | C18 | C20 | 176.8° | 179.7° |
N17 | C12 | C8 | H2 | 55.0° | 73.8° |
C23 | C19 | C18 | N17 | 179.6° | 180.0° |
C19 | C23 | C22 | C21 | 1.4° | 0.0° |
C23 | C19 | C18 | C20 | 0.3° | 0.1° |
C19 | C23 | C22 | H14 | 178.6° | 179.9° |
C22 | C23 | C19 | C18 | 1.0° | 0.1° |
C23 | C22 | C21 | H14 | 180.0° | 180.0° |
C23 | C22 | C21 | C20 | 1.1° | 0.0° |
C23 | C22 | C21 | H13 | 178.9° | 179.9° |
C19 | C18 | N17 | C20 | 180.0° | 179.9° |
C19 | C18 | C20 | C21 | 0.0° | 0.1° |
C19 | C18 | N17 | H11 | 176.8° | 179.7° |
C19 | C18 | C20 | H12 | 180.0° | 179.9° |
N17 | C18 | C20 | C21 | 180.0° | 180.0° |
N17 | C18 | C20 | H12 | 0.0° | 0.1° |
C22 | C21 | C20 | C18 | 0.4° | 0.0° |
C22 | C21 | C20 | H13 | 180.0° | 179.9° |
C22 | C21 | C20 | H12 | 179.6° | 180.0° |
C18 | C20 | C21 | H12 | 180.0° | 180.0° |
C20 | C18 | N17 | H11 | 3.2° | 0.4° |
C18 | C20 | C21 | H13 | 179.6° | 179.9° |
C20 | C21 | C22 | H14 | 178.9° | 180.0° |
H1 | C1 | C2 | H4 | 0.1° | 0.1° |
H3 | C3 | C2 | H4 | 1.9° | 0.2° |
H5 | C25 | H6 | H7 | 120.0° | 120.0° |
H8 | C26 | H9 | H10 | 120.0° | 120.0° |
H12 | C20 | C21 | H13 | 0.4° | 0.1° |
H13 | C21 | C22 | H14 | 1.1° | 0.1° |
H15 | C28 | H16 | H17 | 120.0° | 120.1° |
H18 | C15 | C16 | H20 | 60.3° | 46.7° |
H18 | C15 | C16 | H21 | 58.9° | 166.8° |
H19 | C15 | C16 | H20 | 60.8° | 73.6° |
H19 | C15 | C16 | H21 | 180.0° | 46.5° |