LF9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O18 | C16 | doub | 1.21Å | 1.27Å | |
O19 | C16 | sing | 1.34Å | 1.28Å | |
C11 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
C11 | C10 | sing | 1.38Å | 1.42Å | Aromatic |
C16 | C15 | sing | 1.51Å | 1.52Å | |
C12 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
C10 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
C15 | C4 | sing | 1.51Å | 1.49Å | |
C15 | O17 | sing | 1.43Å | 1.46Å | |
C7 | C3 | sing | 1.48Å | 1.49Å | |
C7 | C8 | doub | 1.39Å | 1.42Å | Aromatic |
C4 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
C3 | C2 | sing | 1.40Å | 1.37Å | Aromatic |
C14 | C5 | sing | 1.51Å | 1.51Å | |
C5 | N1 | doub | 1.32Å | 1.33Å | Aromatic |
C9 | C8 | sing | 1.38Å | 1.42Å | Aromatic |
N2 | C26 | sing | 1.38Å | 1.34Å | Aromatic |
N2 | C24 | sing | 1.37Å | 1.32Å | Aromatic |
C2 | C13 | sing | 1.51Å | 1.52Å | |
C2 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
O17 | C20 | sing | 1.43Å | 1.45Å | |
N1 | C1 | sing | 1.33Å | 1.34Å | Aromatic |
C1 | C24 | sing | 1.48Å | 1.49Å | |
C29 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
C29 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
C26 | C27 | sing | 1.41Å | 1.39Å | Aromatic |
C24 | N3 | doub | 1.31Å | 1.35Å | Aromatic |
C23 | C20 | sing | 1.53Å | 1.52Å | |
C31 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
C20 | C22 | sing | 1.53Å | 1.54Å | |
C20 | C21 | sing | 1.53Å | 1.51Å | |
C27 | N3 | sing | 1.35Å | 1.35Å | Aromatic |
C27 | C30 | doub | 1.40Å | 1.40Å | Aromatic |
C32 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
C32 | CL | sing | 1.74Å | 1.79Å | |
C8 | H1 | sing | 1.08Å | 1.08Å | |
C9 | H2 | sing | 1.08Å | 1.08Å | |
C10 | H3 | sing | 1.08Å | 1.08Å | |
C11 | H4 | sing | 1.08Å | 1.08Å | |
C12 | H5 | sing | 1.08Å | 1.08Å | |
C13 | H6 | sing | 1.09Å | 1.10Å | |
C13 | H7 | sing | 1.09Å | 1.10Å | |
C13 | H8 | sing | 1.09Å | 1.10Å | |
C14 | H9 | sing | 1.09Å | 1.10Å | |
C14 | H10 | sing | 1.09Å | 1.10Å | |
C14 | H11 | sing | 1.09Å | 1.10Å | |
C15 | H12 | sing | 1.09Å | 1.10Å | |
O19 | H13 | sing | 0.97Å | 0.95Å | |
C21 | H14 | sing | 1.09Å | 1.10Å | |
C21 | H15 | sing | 1.09Å | 1.10Å | |
C21 | H16 | sing | 1.09Å | 1.10Å | |
C22 | H17 | sing | 1.09Å | 1.10Å | |
C22 | H18 | sing | 1.09Å | 1.10Å | |
C22 | H19 | sing | 1.09Å | 1.10Å | |
C23 | H20 | sing | 1.09Å | 1.10Å | |
C23 | H21 | sing | 1.09Å | 1.10Å | |
C23 | H22 | sing | 1.09Å | 1.10Å | |
N2 | H23 | sing | 0.97Å | 1.00Å | |
C29 | H25 | sing | 1.08Å | 1.08Å | |
C30 | H26 | sing | 1.08Å | 1.08Å | |
C31 | H27 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O18 | C16 | O19 | 125.1° | 120.0° |
O18 | C16 | C15 | 116.7° | 120.0° |
O19 | C16 | C15 | 118.2° | 120.0° |
C16 | O19 | H13 | 109.5° | 117.0° |
C12 | C11 | C10 | 122.3° | 120.1° |
C11 | C12 | C7 | 118.7° | 119.9° |
C12 | C11 | H4 | 118.8° | 120.0° |
C11 | C12 | H5 | 120.6° | 120.0° |
C11 | C10 | C9 | 118.0° | 120.3° |
C11 | C10 | H3 | 121.0° | 119.8° |
C10 | C11 | H4 | 118.8° | 120.0° |
C16 | C15 | C4 | 114.0° | 109.5° |
C16 | C15 | O17 | 110.4° | 109.5° |
C16 | C15 | H12 | 107.5° | 109.5° |
C12 | C7 | C3 | 118.5° | 120.1° |
C12 | C7 | C8 | 120.1° | 119.8° |
C7 | C12 | H5 | 120.7° | 120.1° |
C10 | C9 | C8 | 120.5° | 120.1° |
C10 | C9 | H2 | 119.7° | 119.9° |
C9 | C10 | H3 | 121.0° | 119.9° |
C4 | C15 | O17 | 108.6° | 109.5° |
C15 | C4 | C3 | 118.7° | 120.4° |
C15 | C4 | C5 | 121.2° | 120.3° |
C4 | C15 | H12 | 107.9° | 109.4° |
C15 | O17 | C20 | 121.4° | 114.0° |
O17 | C15 | H12 | 108.3° | 109.5° |
C3 | C7 | C8 | 121.3° | 120.1° |
C7 | C3 | C4 | 120.2° | 120.9° |
C7 | C3 | C2 | 121.2° | 120.9° |
C7 | C8 | C9 | 120.3° | 119.9° |
C7 | C8 | H1 | 119.9° | 120.1° |
C3 | C4 | C5 | 120.1° | 119.3° |
C4 | C3 | C2 | 118.6° | 118.2° |
C4 | C5 | C14 | 125.6° | 119.5° |
C4 | C5 | N1 | 119.9° | 121.0° |
C3 | C2 | C13 | 120.2° | 120.5° |
C3 | C2 | C1 | 119.1° | 119.0° |
C14 | C5 | N1 | 114.5° | 119.5° |
C5 | C14 | H9 | 109.5° | 109.5° |
C5 | C14 | H10 | 109.5° | 109.4° |
C5 | C14 | H11 | 109.5° | 109.5° |
C5 | N1 | C1 | 121.0° | 121.9° |
C9 | C8 | H1 | 119.9° | 120.1° |
C8 | C9 | H2 | 119.8° | 119.9° |
C26 | N2 | C24 | 108.2° | 107.2° |
N2 | C26 | C29 | 131.1° | 133.9° |
N2 | C26 | C27 | 108.1° | 106.1° |
C26 | N2 | H23 | 125.9° | 126.4° |
N2 | C24 | C1 | 124.8° | 125.1° |
N2 | C24 | N3 | 109.1° | 109.8° |
C24 | N2 | H23 | 125.9° | 126.4° |
C13 | C2 | C1 | 120.6° | 120.5° |
C2 | C13 | H6 | 109.5° | 109.4° |
C2 | C13 | H7 | 109.5° | 109.5° |
C2 | C13 | H8 | 109.5° | 109.5° |
C2 | C1 | N1 | 121.2° | 120.6° |
C2 | C1 | C24 | 120.2° | 119.7° |
O17 | C20 | C23 | 112.0° | 109.4° |
O17 | C20 | C22 | 110.5° | 109.5° |
O17 | C20 | C21 | 108.6° | 109.5° |
N1 | C1 | C24 | 118.6° | 119.7° |
C1 | C24 | N3 | 126.1° | 125.1° |
C26 | C29 | C31 | 119.6° | 119.9° |
C29 | C26 | C27 | 120.8° | 119.9° |
C26 | C29 | H25 | 120.2° | 120.1° |
C29 | C31 | C32 | 120.0° | 120.5° |
C31 | C29 | H25 | 120.2° | 120.0° |
C29 | C31 | H27 | 120.0° | 119.8° |
C26 | C27 | N3 | 106.0° | 107.2° |
C26 | C27 | C30 | 120.1° | 119.5° |
C24 | N3 | C27 | 108.6° | 109.6° |
C23 | C20 | C22 | 110.5° | 109.5° |
C23 | C20 | C21 | 107.8° | 109.4° |
C20 | C23 | H20 | 109.5° | 109.5° |
C20 | C23 | H21 | 109.5° | 109.5° |
C20 | C23 | H22 | 109.5° | 109.5° |
C31 | C32 | C30 | 120.7° | 120.5° |
C31 | C32 | CL | 116.9° | 119.8° |
C32 | C31 | H27 | 120.0° | 119.7° |
C22 | C20 | C21 | 107.4° | 109.5° |
C20 | C22 | H17 | 109.5° | 109.5° |
C20 | C22 | H18 | 109.5° | 109.5° |
C20 | C22 | H19 | 109.5° | 109.5° |
C20 | C21 | H14 | 109.5° | 109.5° |
C20 | C21 | H15 | 109.5° | 109.5° |
C20 | C21 | H16 | 109.5° | 109.5° |
N3 | C27 | C30 | 133.9° | 133.4° |
C27 | C30 | C32 | 118.9° | 119.7° |
C27 | C30 | H26 | 120.5° | 120.2° |
C30 | C32 | CL | 122.5° | 119.7° |
C32 | C30 | H26 | 120.6° | 120.1° |
H6 | C13 | H7 | 109.5° | 109.5° |
H6 | C13 | H8 | 109.5° | 109.5° |
H7 | C13 | H8 | 109.4° | 109.5° |
H9 | C14 | H10 | 109.5° | 109.5° |
H9 | C14 | H11 | 109.5° | 109.5° |
H10 | C14 | H11 | 109.5° | 109.5° |
H14 | C21 | H15 | 109.4° | 109.4° |
H14 | C21 | H16 | 109.5° | 109.4° |
H15 | C21 | H16 | 109.4° | 109.4° |
H17 | C22 | H18 | 109.4° | 109.4° |
H17 | C22 | H19 | 109.5° | 109.5° |
H18 | C22 | H19 | 109.5° | 109.4° |
H20 | C23 | H21 | 109.5° | 109.5° |
H20 | C23 | H22 | 109.5° | 109.5° |
H21 | C23 | H22 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O18 | C16 | O19 | C15 | 179.0° | 180.0° |
O18 | C16 | C15 | C4 | 38.3° | 115.0° |
O18 | C16 | C15 | O17 | 160.8° | 5.0° |
O18 | C16 | C15 | H12 | 81.3° | 125.0° |
O18 | C16 | O19 | H13 | 0.0° | 0.0° |
O19 | C16 | C15 | C4 | 142.7° | 65.0° |
O19 | C16 | C15 | O17 | 20.2° | 175.0° |
O19 | C16 | C15 | H12 | 97.8° | 55.0° |
C12 | C11 | C10 | H4 | 180.0° | 179.5° |
C11 | C12 | C7 | H5 | 180.0° | 179.4° |
C12 | C11 | C10 | C9 | 0.9° | 0.2° |
C11 | C12 | C7 | C3 | 179.8° | 179.7° |
C11 | C12 | C7 | C8 | 1.8° | 0.6° |
C12 | C11 | C10 | H3 | 179.1° | 179.7° |
C10 | C11 | C12 | C7 | 1.1° | 0.6° |
C11 | C10 | C9 | H3 | 180.0° | 180.0° |
C11 | C10 | C9 | C8 | 2.3° | 0.1° |
C11 | C10 | C9 | H2 | 177.7° | 180.0° |
C10 | C11 | C12 | H5 | 178.9° | 180.0° |
C16 | C15 | C4 | O17 | 123.5° | 120.0° |
C16 | C15 | C4 | H12 | 119.3° | 120.0° |
C16 | C15 | O17 | H12 | 117.4° | 120.0° |
C16 | C15 | C4 | C3 | 103.7° | 107.9° |
C16 | C15 | C4 | C5 | 76.0° | 72.2° |
C16 | C15 | O17 | C20 | 146.1° | 90.0° |
C15 | C16 | O19 | H13 | 179.0° | 180.0° |
C12 | C7 | C3 | C8 | 178.0° | 179.7° |
C12 | C7 | C3 | C4 | 75.8° | 64.7° |
C12 | C7 | C3 | C2 | 105.8° | 115.3° |
C12 | C7 | C8 | C9 | 0.4° | 0.3° |
C12 | C7 | C8 | H1 | 179.5° | 179.7° |
C7 | C12 | C11 | H4 | 178.8° | 180.0° |
C10 | C9 | C8 | C7 | 1.7° | 0.1° |
C10 | C9 | C8 | H2 | 180.0° | 179.9° |
C10 | C9 | C8 | H1 | 178.4° | 179.9° |
C9 | C10 | C11 | H4 | 179.1° | 179.7° |
C4 | C15 | O17 | H12 | 116.9° | 120.0° |
C15 | C4 | C3 | C7 | 0.8° | 0.1° |
C15 | C4 | C3 | C5 | 179.7° | 179.9° |
C15 | C4 | C3 | C2 | 177.6° | 180.0° |
C15 | C4 | C5 | C14 | 0.5° | 0.1° |
C15 | C4 | C5 | N1 | 177.7° | 179.8° |
C4 | C15 | O17 | C20 | 88.3° | 150.0° |
O17 | C15 | C4 | C3 | 132.8° | 132.1° |
O17 | C15 | C4 | C5 | 47.5° | 47.8° |
C15 | O17 | C20 | C23 | 38.4° | 180.0° |
C15 | O17 | C20 | C22 | 162.0° | 60.0° |
C15 | O17 | C20 | C21 | 80.5° | 60.0° |
C7 | C3 | C4 | C2 | 178.4° | 179.9° |
C7 | C3 | C4 | C5 | 178.9° | 180.0° |
C3 | C7 | C8 | C9 | 178.4° | 180.0° |
C7 | C3 | C2 | C13 | 1.5° | 0.1° |
C7 | C3 | C2 | C1 | 179.4° | 180.0° |
C3 | C7 | C8 | H1 | 1.6° | 0.0° |
C3 | C7 | C12 | H5 | 0.2° | 0.3° |
C8 | C7 | C3 | C4 | 102.1° | 115.0° |
C8 | C7 | C3 | C2 | 76.3° | 64.9° |
C7 | C8 | C9 | H1 | 180.0° | 180.0° |
C7 | C8 | C9 | H2 | 178.3° | 180.0° |
C8 | C7 | C12 | H5 | 178.2° | 180.0° |
C3 | C4 | C5 | C14 | 179.2° | 180.0° |
C3 | C4 | C5 | N1 | 2.6° | 0.3° |
C4 | C3 | C2 | C13 | 180.0° | 180.0° |
C4 | C3 | C2 | C1 | 1.0° | 0.1° |
C3 | C4 | C15 | H12 | 15.6° | 12.1° |
C5 | C4 | C3 | C2 | 2.6° | 0.1° |
C4 | C5 | C14 | N1 | 178.3° | 179.7° |
C4 | C5 | N1 | C1 | 0.8° | 0.6° |
C4 | C5 | C14 | H9 | 178.3° | 82.9° |
C4 | C5 | C14 | H10 | 58.3° | 157.1° |
C4 | C5 | C14 | H11 | 61.7° | 37.1° |
C5 | C4 | C15 | H12 | 164.7° | 167.8° |
C3 | C2 | C13 | C1 | 179.1° | 179.9° |
C3 | C2 | C1 | N1 | 0.8° | 0.3° |
C3 | C2 | C1 | C24 | 179.1° | 180.0° |
C3 | C2 | C13 | H6 | 90.5° | 96.7° |
C3 | C2 | C13 | H7 | 149.5° | 23.2° |
C3 | C2 | C13 | H8 | 29.6° | 143.3° |
C14 | C5 | N1 | C1 | 179.2° | 179.7° |
C5 | C14 | H9 | H10 | 120.0° | 120.0° |
C5 | C14 | H9 | H11 | 120.0° | 120.0° |
C5 | C14 | H10 | H11 | 120.0° | 120.0° |
C5 | N1 | C1 | C2 | 0.9° | 0.6° |
C5 | N1 | C1 | C24 | 179.2° | 179.7° |
N1 | C5 | C14 | H9 | 0.0° | 96.8° |
N1 | C5 | C14 | H10 | 120.0° | 23.2° |
N1 | C5 | C14 | H11 | 120.0° | 143.2° |
C8 | C9 | C10 | H3 | 177.7° | 179.9° |
C26 | N2 | C24 | H23 | 180.0° | 179.9° |
C26 | N2 | C24 | C1 | 178.6° | 180.0° |
N2 | C26 | C29 | C27 | 179.9° | 180.0° |
N2 | C26 | C29 | C31 | 180.0° | 180.0° |
C26 | N2 | C24 | N3 | 0.3° | 0.2° |
N2 | C26 | C27 | N3 | 0.1° | 0.3° |
N2 | C26 | C27 | C30 | 179.9° | 180.0° |
N2 | C26 | C29 | H25 | 0.0° | 0.1° |
N2 | C24 | C1 | C2 | 102.7° | 173.0° |
N2 | C24 | C1 | N1 | 75.6° | 7.3° |
N2 | C24 | C1 | N3 | 178.7° | 179.8° |
C24 | N2 | C26 | C29 | 179.8° | 179.9° |
C24 | N2 | C26 | C27 | 0.1° | 0.0° |
N2 | C24 | N3 | C27 | 0.4° | 0.4° |
C13 | C2 | C1 | N1 | 178.3° | 179.8° |
C13 | C2 | C1 | C24 | 0.0° | 0.1° |
C2 | C13 | H6 | H7 | 120.0° | 120.0° |
C2 | C13 | H6 | H8 | 120.0° | 120.0° |
C2 | C13 | H7 | H8 | 120.0° | 120.0° |
C2 | C1 | N1 | C24 | 178.3° | 179.7° |
C2 | C1 | C24 | N3 | 76.0° | 7.2° |
C1 | C2 | C13 | H6 | 90.5° | 83.4° |
C1 | C2 | C13 | H7 | 29.5° | 156.6° |
C1 | C2 | C13 | H8 | 149.5° | 36.6° |
O17 | C20 | C23 | C22 | 123.6° | 120.0° |
O17 | C20 | C23 | C21 | 119.4° | 120.0° |
O17 | C20 | C22 | C21 | 118.2° | 120.0° |
C20 | O17 | C15 | H12 | 28.6° | 30.0° |
O17 | C20 | C21 | H14 | 180.0° | 60.0° |
O17 | C20 | C21 | H15 | 60.0° | 180.0° |
O17 | C20 | C21 | H16 | 60.0° | 60.0° |
O17 | C20 | C22 | H17 | 180.0° | 60.0° |
O17 | C20 | C22 | H18 | 60.0° | 180.0° |
O17 | C20 | C22 | H19 | 60.0° | 60.1° |
O17 | C20 | C23 | H20 | 180.0° | 60.0° |
O17 | C20 | C23 | H21 | 60.0° | 180.0° |
O17 | C20 | C23 | H22 | 60.0° | 60.1° |
N1 | C1 | C24 | N3 | 105.7° | 172.5° |
C1 | C24 | N3 | C27 | 178.5° | 179.8° |
C1 | C24 | N2 | H23 | 1.4° | 0.1° |
C26 | C29 | C31 | H25 | 180.0° | 180.0° |
C26 | C29 | C31 | C32 | 0.2° | 0.0° |
C29 | C26 | C27 | N3 | 179.9° | 179.7° |
C29 | C26 | C27 | C30 | 0.0° | 0.0° |
C29 | C26 | N2 | H23 | 0.2° | 0.0° |
C26 | C29 | C31 | H27 | 179.8° | 180.0° |
C31 | C29 | C26 | C27 | 0.0° | 0.0° |
C29 | C31 | C32 | H27 | 180.0° | 180.0° |
C29 | C31 | C32 | C30 | 0.3° | 0.0° |
C29 | C31 | C32 | CL | 179.9° | 180.0° |
C26 | C27 | N3 | C24 | 0.3° | 0.4° |
C26 | C27 | N3 | C30 | 179.9° | 179.7° |
C26 | C27 | C30 | C32 | 0.1° | 0.0° |
C27 | C26 | N2 | H23 | 179.9° | 179.9° |
C27 | C26 | C29 | H25 | 179.9° | 180.0° |
C26 | C27 | C30 | H26 | 179.9° | 179.9° |
C24 | N3 | C27 | C30 | 179.7° | 179.9° |
N3 | C24 | N2 | H23 | 179.7° | 179.7° |
C23 | C20 | C22 | C21 | 117.3° | 120.0° |
C23 | C20 | C21 | H14 | 58.5° | 180.0° |
C23 | C20 | C21 | H15 | 178.5° | 60.0° |
C23 | C20 | C21 | H16 | 61.6° | 60.0° |
C23 | C20 | C22 | H17 | 55.5° | 60.0° |
C23 | C20 | C22 | H18 | 64.5° | 60.0° |
C23 | C20 | C22 | H19 | 175.5° | 180.0° |
C20 | C23 | H20 | H21 | 120.0° | 120.0° |
C20 | C23 | H20 | H22 | 120.0° | 120.0° |
C20 | C23 | H21 | H22 | 120.0° | 120.0° |
C31 | C32 | C30 | C27 | 0.3° | 0.0° |
C31 | C32 | C30 | CL | 179.8° | 180.0° |
C32 | C31 | C29 | H25 | 179.8° | 180.0° |
C31 | C32 | C30 | H26 | 179.7° | 179.9° |
C22 | C20 | C21 | H14 | 60.5° | 60.0° |
C22 | C20 | C21 | H15 | 59.5° | 60.0° |
C22 | C20 | C21 | H16 | 179.4° | 180.0° |
C20 | C22 | H17 | H18 | 120.0° | 120.0° |
C20 | C22 | H17 | H19 | 120.0° | 120.1° |
C20 | C22 | H18 | H19 | 120.0° | 120.0° |
C22 | C20 | C23 | H20 | 56.4° | 180.0° |
C22 | C20 | C23 | H21 | 176.4° | 60.0° |
C22 | C20 | C23 | H22 | 63.6° | 60.0° |
C20 | C21 | H14 | H15 | 120.0° | 120.1° |
C20 | C21 | H14 | H16 | 120.0° | 120.0° |
C20 | C21 | H15 | H16 | 120.0° | 120.1° |
C21 | C20 | C22 | H17 | 61.8° | 179.9° |
C21 | C20 | C22 | H18 | 178.2° | 60.0° |
C21 | C20 | C22 | H19 | 58.2° | 60.0° |
C21 | C20 | C23 | H20 | 60.6° | 60.1° |
C21 | C20 | C23 | H21 | 59.4° | 60.0° |
C21 | C20 | C23 | H22 | 179.4° | 179.9° |
N3 | C27 | C30 | C32 | 180.0° | 179.6° |
N3 | C27 | C30 | H26 | 0.0° | 0.3° |
C27 | C30 | C32 | H26 | 180.0° | 179.9° |
C27 | C30 | C32 | CL | 179.9° | 180.0° |
C30 | C32 | C31 | H27 | 179.7° | 180.0° |
CL | C32 | C30 | H26 | 0.1° | 0.1° |
CL | C32 | C31 | H27 | 0.2° | 0.0° |
H1 | C8 | C9 | H2 | 1.7° | 0.0° |
H2 | C9 | C10 | H3 | 2.3° | 0.0° |
H3 | C10 | C11 | H4 | 0.9° | 0.3° |
H4 | C11 | C12 | H5 | 1.2° | 0.6° |
H6 | C13 | H7 | H8 | 120.0° | 120.0° |
H9 | C14 | H10 | H11 | 120.0° | 120.0° |
H14 | C21 | H15 | H16 | 120.0° | 119.9° |
H17 | C22 | H18 | H19 | 120.0° | 120.0° |
H20 | C23 | H21 | H22 | 120.0° | 120.0° |
H25 | C29 | C31 | H27 | 0.3° | 0.0° |