F7L
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C2 | sing | 1.43Å | 1.37Å | |
C2 | C3 | sing | 1.53Å | 1.51Å | |
C2 | C13 | sing | 1.53Å | 1.54Å | |
C3 | O4 | sing | 1.43Å | 1.41Å | |
O4 | C5 | sing | 1.43Å | 1.42Å | |
C5 | C6 | sing | 1.51Å | 1.49Å | |
C6 | C7 | doub | 1.38Å | 1.42Å | Aromatic |
C6 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
C7 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
C8 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
C9 | C10 | sing | 1.38Å | 1.42Å | Aromatic |
C10 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
C11 | F12 | sing | 1.35Å | 1.34Å | |
C13 | N14 | sing | 1.47Å | 1.45Å | |
N14 | C15 | sing | 1.48Å | 1.43Å | |
N14 | C18 | sing | 1.49Å | 1.43Å | |
C15 | C16 | sing | 1.54Å | 1.51Å | |
C16 | C17 | sing | 1.55Å | 1.51Å | |
C17 | C18 | sing | 1.55Å | 1.52Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H3A | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C5 | H5A | sing | 1.09Å | 1.10Å | |
C7 | H7 | sing | 1.08Å | 1.08Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C9 | H9 | sing | 1.08Å | 1.08Å | |
C10 | H10 | sing | 1.08Å | 1.08Å | |
C13 | H13 | sing | 1.09Å | 1.10Å | |
C13 | H13A | sing | 1.09Å | 1.10Å | |
C15 | H15 | sing | 1.09Å | 1.10Å | |
C15 | H15A | sing | 1.09Å | 1.10Å | |
C16 | H16 | sing | 1.09Å | 1.10Å | |
C16 | H16A | sing | 1.09Å | 1.10Å | |
C17 | H17 | sing | 1.09Å | 1.10Å | |
C17 | H17A | sing | 1.09Å | 1.10Å | |
C18 | H18 | sing | 1.09Å | 1.10Å | |
C18 | H18A | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C2 | C3 | 108.4° | 109.4° |
O1 | C2 | C13 | 111.8° | 109.5° |
C2 | O1 | HO1 | 109.5° | 114.0° |
O1 | C2 | H2 | 108.2° | 109.5° |
C3 | C2 | C13 | 108.3° | 109.5° |
C2 | C3 | O4 | 110.9° | 109.5° |
C3 | C2 | H2 | 111.8° | 109.4° |
C2 | C3 | H3 | 109.0° | 109.5° |
C2 | C3 | H3A | 109.0° | 109.4° |
C2 | C13 | N14 | 111.1° | 109.5° |
C13 | C2 | H2 | 108.4° | 109.5° |
C2 | C13 | H13 | 108.9° | 109.5° |
C2 | C13 | H13A | 108.9° | 109.5° |
C3 | O4 | C5 | 118.1° | 114.1° |
O4 | C3 | H3 | 109.0° | 109.5° |
O4 | C3 | H3A | 109.0° | 109.5° |
O4 | C5 | C6 | 110.6° | 109.5° |
O4 | C5 | H5 | 109.1° | 109.4° |
O4 | C5 | H5A | 109.1° | 109.5° |
C5 | C6 | C7 | 120.4° | 120.0° |
C5 | C6 | C11 | 120.0° | 120.0° |
C6 | C5 | H5 | 109.1° | 109.4° |
C6 | C5 | H5A | 109.1° | 109.5° |
C7 | C6 | C11 | 119.6° | 120.0° |
C6 | C7 | C8 | 120.1° | 120.0° |
C6 | C7 | H7 | 120.0° | 120.0° |
C6 | C11 | C10 | 120.4° | 120.0° |
C6 | C11 | F12 | 119.8° | 120.0° |
C7 | C8 | C9 | 120.2° | 120.1° |
C8 | C7 | H7 | 119.9° | 120.0° |
C7 | C8 | H8 | 119.9° | 120.0° |
C8 | C9 | C10 | 119.9° | 120.0° |
C9 | C8 | H8 | 119.9° | 120.0° |
C8 | C9 | H9 | 120.1° | 120.0° |
C9 | C10 | C11 | 119.8° | 120.0° |
C10 | C9 | H9 | 120.0° | 120.0° |
C9 | C10 | H10 | 120.1° | 120.0° |
C10 | C11 | F12 | 119.8° | 120.0° |
C11 | C10 | H10 | 120.1° | 120.0° |
C13 | N14 | C15 | 111.0° | 111.0° |
C13 | N14 | C18 | 111.8° | 111.0° |
N14 | C13 | H13 | 108.9° | 109.5° |
N14 | C13 | H13A | 108.9° | 109.5° |
C15 | N14 | C18 | 105.2° | 105.9° |
N14 | C15 | C16 | 104.0° | 107.0° |
N14 | C15 | H15 | 111.3° | 109.9° |
N14 | C15 | H15A | 111.3° | 109.9° |
N14 | C18 | C17 | 105.2° | 103.2° |
N14 | C18 | H18 | 110.9° | 110.7° |
N14 | C18 | H18A | 110.9° | 110.7° |
C15 | C16 | C17 | 104.0° | 105.1° |
C16 | C15 | H15 | 111.3° | 109.9° |
C16 | C15 | H15A | 111.4° | 109.9° |
C15 | C16 | H16 | 111.3° | 110.3° |
C15 | C16 | H16A | 111.3° | 110.2° |
C16 | C17 | C18 | 104.7° | 103.0° |
C17 | C16 | H16 | 111.3° | 110.3° |
C17 | C16 | H16A | 111.3° | 110.4° |
C16 | C17 | H17 | 111.1° | 110.8° |
C16 | C17 | H17A | 111.1° | 110.7° |
C18 | C17 | H17 | 111.1° | 110.7° |
C18 | C17 | H17A | 111.1° | 110.7° |
C17 | C18 | H18 | 110.9° | 110.7° |
C17 | C18 | H18A | 110.9° | 110.6° |
H3 | C3 | H3A | 109.9° | 109.4° |
H5 | C5 | H5A | 109.8° | 109.4° |
H13 | C13 | H13A | 110.0° | 109.5° |
H15 | C15 | H15A | 107.5° | 110.1° |
H16 | C16 | H16A | 107.6° | 110.4° |
H17 | C17 | H17A | 107.8° | 110.7° |
H18 | C18 | H18A | 108.0° | 110.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C2 | C3 | C13 | 121.5° | 120.0° |
O1 | C2 | C3 | H2 | 119.2° | 120.0° |
O1 | C2 | C13 | H2 | 119.2° | 120.0° |
O1 | C2 | C3 | O4 | 47.2° | 65.0° |
O1 | C2 | C13 | N14 | 83.9° | 60.0° |
O1 | C2 | C3 | H3 | 167.2° | 174.9° |
O1 | C2 | C3 | H3A | 72.8° | 55.0° |
O1 | C2 | C13 | H13 | 36.1° | 60.0° |
O1 | C2 | C13 | H13A | 156.1° | 180.0° |
C3 | C2 | C13 | H2 | 121.4° | 120.0° |
C2 | C3 | O4 | H3 | 120.0° | 120.1° |
C2 | C3 | O4 | H3A | 120.0° | 120.0° |
C2 | C3 | O4 | C5 | 176.0° | 180.0° |
C3 | C2 | C13 | N14 | 156.8° | 180.0° |
C3 | C2 | O1 | HO1 | 180.0° | 60.0° |
C2 | C3 | H3 | H3A | 119.4° | 119.9° |
C3 | C2 | C13 | H13 | 83.2° | 60.0° |
C3 | C2 | C13 | H13A | 36.7° | 60.0° |
C13 | C2 | C3 | O4 | 168.7° | 175.0° |
C2 | C13 | N14 | H13 | 120.0° | 120.0° |
C2 | C13 | N14 | H13A | 120.0° | 120.0° |
C2 | C13 | N14 | C15 | 176.3° | 169.9° |
C2 | C13 | N14 | C18 | 59.1° | 72.6° |
C13 | C2 | O1 | HO1 | 60.7° | 60.0° |
C13 | C2 | C3 | H3 | 71.3° | 55.0° |
C13 | C2 | C3 | H3A | 48.7° | 64.9° |
C2 | C13 | H13 | H13A | 119.3° | 120.0° |
C3 | O4 | C5 | C6 | 69.5° | 180.0° |
O4 | C3 | C2 | H2 | 72.0° | 55.0° |
O4 | C3 | H3 | H3A | 119.4° | 120.0° |
C3 | O4 | C5 | H5 | 170.5° | 60.0° |
C3 | O4 | C5 | H5A | 50.5° | 59.9° |
O4 | C5 | C6 | H5 | 120.0° | 120.0° |
O4 | C5 | C6 | H5A | 120.0° | 120.1° |
O4 | C5 | C6 | C7 | 96.6° | 0.1° |
O4 | C5 | C6 | C11 | 83.5° | 179.7° |
C5 | O4 | C3 | H3 | 56.0° | 60.0° |
C5 | O4 | C3 | H3A | 64.1° | 60.0° |
O4 | C5 | H5 | H5A | 119.5° | 120.0° |
C5 | C6 | C7 | C11 | 179.8° | 179.8° |
C5 | C6 | C7 | C8 | 179.9° | 179.9° |
C5 | C6 | C11 | C10 | 179.9° | 179.7° |
C5 | C6 | C11 | F12 | 0.2° | 0.1° |
C6 | C5 | H5 | H5A | 119.5° | 120.0° |
C5 | C6 | C7 | H7 | 0.1° | 0.0° |
C6 | C7 | C8 | H7 | 180.0° | 179.9° |
C6 | C7 | C8 | C9 | 0.0° | 0.1° |
C7 | C6 | C11 | C10 | 0.1° | 0.5° |
C7 | C6 | C11 | F12 | 179.9° | 179.7° |
C7 | C6 | C5 | H5 | 143.4° | 120.0° |
C7 | C6 | C5 | H5A | 23.4° | 120.0° |
C6 | C7 | C8 | H8 | 180.0° | 180.0° |
C11 | C6 | C7 | C8 | 0.1° | 0.3° |
C6 | C11 | C10 | C9 | 0.0° | 0.5° |
C6 | C11 | C10 | F12 | 179.9° | 179.8° |
C11 | C6 | C5 | H5 | 36.5° | 59.8° |
C11 | C6 | C5 | H5A | 156.5° | 60.2° |
C11 | C6 | C7 | H7 | 180.0° | 179.8° |
C6 | C11 | C10 | H10 | 180.0° | 179.7° |
C7 | C8 | C9 | H8 | 180.0° | 179.9° |
C7 | C8 | C9 | C10 | 0.1° | 0.1° |
C7 | C8 | C9 | H9 | 179.9° | 180.0° |
C8 | C9 | C10 | H9 | 180.0° | 179.9° |
C8 | C9 | C10 | C11 | 0.1° | 0.3° |
C9 | C8 | C7 | H7 | 180.0° | 180.0° |
C8 | C9 | C10 | H10 | 179.9° | 180.0° |
C9 | C10 | C11 | H10 | 180.0° | 179.8° |
C9 | C10 | C11 | F12 | 179.9° | 179.7° |
C10 | C9 | C8 | H8 | 179.9° | 180.0° |
C11 | C10 | C9 | H9 | 180.0° | 179.8° |
F12 | C11 | C10 | H10 | 0.2° | 0.1° |
C13 | N14 | C15 | C18 | 121.1° | 120.5° |
C13 | N14 | C15 | C16 | 163.2° | 145.9° |
C13 | N14 | C18 | C17 | 157.3° | 159.7° |
N14 | C13 | C2 | H2 | 35.3° | 60.0° |
N14 | C13 | H13 | H13A | 119.3° | 120.0° |
C13 | N14 | C15 | H15 | 43.2° | 26.5° |
C13 | N14 | C15 | H15A | 76.8° | 94.8° |
C13 | N14 | C18 | H18 | 82.7° | 81.8° |
C13 | N14 | C18 | H18A | 37.3° | 41.3° |
N14 | C15 | C16 | H15 | 120.0° | 119.3° |
N14 | C15 | C16 | H15A | 120.0° | 119.4° |
N14 | C15 | C16 | C17 | 30.2° | 1.2° |
C15 | N14 | C18 | C17 | 36.7° | 39.2° |
C15 | N14 | C13 | H13 | 56.3° | 70.0° |
C15 | N14 | C13 | H13A | 63.7° | 50.0° |
N14 | C15 | H15 | H15A | 122.2° | 121.2° |
N14 | C15 | C16 | H16 | 150.1° | 120.1° |
N14 | C15 | C16 | H16A | 89.8° | 117.7° |
C15 | N14 | C18 | H18 | 156.7° | 157.6° |
C15 | N14 | C18 | H18A | 83.3° | 79.2° |
C18 | N14 | C15 | C16 | 42.1° | 25.3° |
N14 | C18 | C17 | C16 | 16.7° | 37.4° |
N14 | C18 | C17 | H18 | 120.0° | 118.5° |
N14 | C18 | C17 | H18A | 120.0° | 118.4° |
C18 | N14 | C13 | H13 | 60.9° | 47.4° |
C18 | N14 | C13 | H13A | 179.1° | 167.4° |
C18 | N14 | C15 | H15 | 77.9° | 94.0° |
C18 | N14 | C15 | H15A | 162.1° | 144.7° |
N14 | C18 | C17 | H17 | 136.7° | 155.8° |
N14 | C18 | C17 | H17A | 103.3° | 81.0° |
N14 | C18 | H18 | H18A | 121.7° | 123.1° |
C15 | C16 | C17 | H16 | 120.0° | 118.9° |
C15 | C16 | C17 | H16A | 120.0° | 118.9° |
C15 | C16 | C17 | C18 | 8.1° | 21.9° |
C16 | C15 | H15 | H15A | 122.2° | 121.2° |
C15 | C16 | H16 | H16A | 122.2° | 122.1° |
C15 | C16 | C17 | H17 | 111.9° | 140.3° |
C15 | C16 | C17 | H17A | 128.1° | 96.4° |
C16 | C17 | C18 | H17 | 120.0° | 118.4° |
C16 | C17 | C18 | H17A | 120.0° | 118.3° |
C17 | C16 | C15 | H15 | 89.8° | 118.1° |
C17 | C16 | C15 | H15A | 150.2° | 120.6° |
C17 | C16 | H16 | H16A | 122.2° | 122.2° |
C16 | C17 | H17 | H17A | 121.9° | 123.2° |
C16 | C17 | C18 | H18 | 136.7° | 155.8° |
C16 | C17 | C18 | H18A | 103.3° | 81.0° |
C18 | C17 | C16 | H16 | 128.1° | 96.9° |
C18 | C17 | C16 | H16A | 111.9° | 140.8° |
C18 | C17 | H17 | H17A | 122.0° | 123.2° |
C17 | C18 | H18 | H18A | 121.7° | 123.1° |
HO1 | O1 | C2 | H2 | 58.6° | 180.0° |
H2 | C2 | C3 | H3 | 48.0° | 65.1° |
H2 | C2 | C3 | H3A | 168.0° | 175.0° |
H2 | C2 | C13 | H13 | 155.4° | 180.0° |
H2 | C2 | C13 | H13A | 84.7° | 60.0° |
H7 | C7 | C8 | H8 | 0.0° | 0.1° |
H8 | C8 | C9 | H9 | 0.1° | 0.1° |
H9 | C9 | C10 | H10 | 0.1° | 0.1° |
H15 | C15 | C16 | H16 | 30.1° | 0.8° |
H15 | C15 | C16 | H16A | 150.1° | 122.9° |
H15A | C15 | C16 | H16 | 89.8° | 120.5° |
H15A | C15 | C16 | H16A | 30.2° | 1.6° |
H16 | C16 | C17 | H17 | 8.1° | 21.5° |
H16 | C16 | C17 | H17A | 111.9° | 144.7° |
H16A | C16 | C17 | H17 | 128.1° | 100.8° |
H16A | C16 | C17 | H17A | 8.1° | 22.5° |
H17 | C17 | C18 | H18 | 103.3° | 85.8° |
H17 | C17 | C18 | H18A | 16.7° | 37.4° |
H17A | C17 | C18 | H18 | 16.7° | 37.5° |
H17A | C17 | C18 | H18A | 136.7° | 160.6° |