FP7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C17 | sing | 1.43Å | 1.47Å | |
C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
C5 | C | sing | 1.38Å | 1.35Å | Aromatic |
C17 | C | sing | 1.51Å | 1.52Å | |
C17 | C18 | sing | 1.53Å | 1.62Å | |
C4 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
C | C1 | doub | 1.38Å | 1.42Å | Aromatic |
C3 | C6 | sing | 1.51Å | 1.50Å | |
C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
C1 | C2 | sing | 1.38Å | 1.37Å | Aromatic |
C6 | N | sing | 1.47Å | 1.50Å | |
N | C7 | sing | 1.36Å | 1.31Å | |
N | C11 | sing | 1.35Å | 1.39Å | |
C7 | C8 | doub | 1.36Å | 1.39Å | |
C14 | C13 | sing | 1.51Å | 1.48Å | |
O | C11 | doub | 1.22Å | 1.29Å | |
C11 | C10 | sing | 1.41Å | 1.39Å | |
C13 | O1 | sing | 1.34Å | 1.36Å | Aromatic |
C13 | C12 | doub | 1.37Å | 1.46Å | Aromatic |
C8 | C12 | sing | 1.49Å | 1.44Å | |
C8 | C9 | sing | 1.41Å | 1.38Å | |
O1 | N1 | sing | 1.21Å | 1.40Å | Aromatic |
C12 | C15 | sing | 1.42Å | 1.47Å | Aromatic |
C10 | C9 | doub | 1.36Å | 1.37Å | |
N1 | C15 | doub | 1.30Å | 1.33Å | Aromatic |
C15 | C16 | sing | 1.51Å | 1.49Å | |
C1 | H1 | sing | 1.08Å | 1.08Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C4 | H3 | sing | 1.08Å | 1.08Å | |
C5 | H4 | sing | 1.08Å | 1.08Å | |
C6 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C7 | H7 | sing | 1.08Å | 1.08Å | |
C17 | H8 | sing | 1.09Å | 1.10Å | |
O2 | H9 | sing | 0.97Å | 0.95Å | |
C18 | H10 | sing | 1.09Å | 1.10Å | |
C18 | H11 | sing | 1.09Å | 1.10Å | |
C18 | H12 | sing | 1.09Å | 1.10Å | |
C10 | H13 | sing | 1.08Å | 1.08Å | |
C9 | H14 | sing | 1.08Å | 1.08Å | |
C16 | H15 | sing | 1.09Å | 1.10Å | |
C16 | H16 | sing | 1.09Å | 1.10Å | |
C16 | H17 | sing | 1.09Å | 1.10Å | |
C14 | H18 | sing | 1.09Å | 1.10Å | |
C14 | H19 | sing | 1.09Å | 1.10Å | |
C14 | H20 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C17 | C | 108.2° | 109.5° |
O2 | C17 | C18 | 109.6° | 109.5° |
O2 | C17 | H8 | 107.3° | 109.5° |
C17 | O2 | H9 | 109.5° | 114.0° |
C4 | C5 | C | 120.9° | 120.0° |
C5 | C4 | C3 | 121.3° | 120.0° |
C5 | C4 | H3 | 119.3° | 120.0° |
C4 | C5 | H4 | 119.6° | 120.0° |
C5 | C | C17 | 121.6° | 120.0° |
C5 | C | C1 | 118.2° | 120.0° |
C | C5 | H4 | 119.5° | 120.0° |
C | C17 | C18 | 118.7° | 109.5° |
C17 | C | C1 | 119.9° | 120.0° |
C | C17 | H8 | 106.7° | 109.5° |
C18 | C17 | H8 | 105.8° | 109.5° |
C17 | C18 | H10 | 109.5° | 109.4° |
C17 | C18 | H11 | 109.5° | 109.5° |
C17 | C18 | H12 | 109.5° | 109.5° |
C4 | C3 | C6 | 116.3° | 120.0° |
C4 | C3 | C2 | 117.9° | 120.0° |
C3 | C4 | H3 | 119.3° | 120.0° |
C | C1 | C2 | 120.0° | 120.0° |
C | C1 | H1 | 120.0° | 120.0° |
C6 | C3 | C2 | 125.8° | 119.9° |
C3 | C6 | N | 111.7° | 109.5° |
C3 | C6 | H5 | 108.9° | 109.5° |
C3 | C6 | H6 | 108.9° | 109.5° |
C3 | C2 | C1 | 121.7° | 120.0° |
C3 | C2 | H2 | 119.2° | 120.0° |
C2 | C1 | H1 | 120.0° | 120.0° |
C1 | C2 | H2 | 119.1° | 120.0° |
C6 | N | C7 | 122.1° | 119.6° |
C6 | N | C11 | 117.9° | 119.6° |
N | C6 | H5 | 108.9° | 109.4° |
N | C6 | H6 | 108.9° | 109.5° |
C7 | N | C11 | 119.9° | 120.8° |
N | C7 | C8 | 122.7° | 120.5° |
N | C7 | H7 | 118.6° | 119.7° |
N | C11 | O | 120.1° | 119.8° |
N | C11 | C10 | 117.6° | 120.3° |
C7 | C8 | C12 | 121.4° | 120.1° |
C7 | C8 | C9 | 119.6° | 119.7° |
C8 | C7 | H7 | 118.7° | 119.8° |
C14 | C13 | O1 | 117.4° | 126.8° |
C14 | C13 | C12 | 131.4° | 126.9° |
C13 | C14 | H18 | 109.5° | 109.4° |
C13 | C14 | H19 | 109.5° | 109.4° |
C13 | C14 | H20 | 109.5° | 109.5° |
O | C11 | C10 | 122.2° | 119.9° |
C11 | C10 | C9 | 123.0° | 119.4° |
C11 | C10 | H13 | 118.5° | 120.3° |
O1 | C13 | C12 | 111.3° | 106.3° |
C13 | O1 | N1 | 107.0° | 111.8° |
C13 | C12 | C8 | 126.2° | 128.2° |
C13 | C12 | C15 | 100.9° | 103.7° |
C12 | C8 | C9 | 119.0° | 120.2° |
C8 | C12 | C15 | 132.8° | 128.2° |
C8 | C9 | C10 | 116.9° | 119.2° |
C8 | C9 | H14 | 121.5° | 120.4° |
O1 | N1 | C15 | 110.1° | 111.9° |
C12 | C15 | N1 | 110.7° | 106.3° |
C12 | C15 | C16 | 124.4° | 126.9° |
C9 | C10 | H13 | 118.5° | 120.4° |
C10 | C9 | H14 | 121.6° | 120.3° |
N1 | C15 | C16 | 124.9° | 126.8° |
C15 | C16 | H15 | 109.5° | 109.5° |
C15 | C16 | H16 | 109.5° | 109.5° |
C15 | C16 | H17 | 109.5° | 109.4° |
H5 | C6 | H6 | 109.5° | 109.5° |
H10 | C18 | H11 | 109.5° | 109.5° |
H10 | C18 | H12 | 109.4° | 109.4° |
H11 | C18 | H12 | 109.5° | 109.5° |
H15 | C16 | H16 | 109.4° | 109.4° |
H15 | C16 | H17 | 109.4° | 109.5° |
H16 | C16 | H17 | 109.5° | 109.5° |
H18 | C14 | H19 | 109.5° | 109.5° |
H18 | C14 | H20 | 109.5° | 109.5° |
H19 | C14 | H20 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C17 | C | C5 | 43.0° | 140.0° |
O2 | C17 | C | C18 | 125.6° | 120.0° |
O2 | C17 | C | H8 | 115.2° | 120.0° |
O2 | C17 | C18 | H8 | 115.4° | 120.0° |
O2 | C17 | C | C1 | 142.0° | 39.4° |
O2 | C17 | C18 | H10 | 180.0° | 60.0° |
O2 | C17 | C18 | H11 | 60.0° | 180.0° |
O2 | C17 | C18 | H12 | 60.0° | 60.0° |
C4 | C5 | C | H4 | 180.0° | 179.7° |
C4 | C5 | C | C17 | 174.6° | 180.0° |
C5 | C4 | C3 | H3 | 180.0° | 180.0° |
C4 | C5 | C | C1 | 0.5° | 0.6° |
C5 | C4 | C3 | C6 | 176.9° | 180.0° |
C5 | C4 | C3 | C2 | 2.5° | 0.0° |
C5 | C | C17 | C1 | 175.0° | 179.4° |
C5 | C | C17 | C18 | 82.7° | 100.0° |
C | C5 | C4 | C3 | 2.0° | 0.3° |
C5 | C | C1 | C2 | 0.2° | 0.6° |
C5 | C | C1 | H1 | 179.8° | 179.7° |
C | C5 | C4 | H3 | 178.0° | 179.7° |
C5 | C | C17 | H8 | 158.1° | 20.0° |
C | C17 | C18 | H8 | 119.7° | 120.0° |
C17 | C | C1 | C2 | 175.4° | 180.0° |
C17 | C | C1 | H1 | 4.6° | 0.3° |
C17 | C | C5 | H4 | 5.4° | 0.3° |
C | C17 | O2 | H9 | 180.0° | 180.0° |
C | C17 | C18 | H10 | 55.1° | 180.0° |
C | C17 | C18 | H11 | 64.9° | 60.0° |
C | C17 | C18 | H12 | 175.1° | 60.0° |
C18 | C17 | C | C1 | 92.4° | 80.6° |
C18 | C17 | O2 | H9 | 49.2° | 60.0° |
C17 | C18 | H10 | H11 | 120.0° | 120.0° |
C17 | C18 | H10 | H12 | 120.0° | 120.0° |
C17 | C18 | H11 | H12 | 120.0° | 120.0° |
C4 | C3 | C6 | C2 | 179.3° | 180.0° |
C4 | C3 | C2 | C1 | 1.7° | 0.0° |
C4 | C3 | C6 | N | 124.1° | 90.0° |
C4 | C3 | C2 | H2 | 178.3° | 179.9° |
C3 | C4 | C5 | H4 | 178.0° | 180.0° |
C4 | C3 | C6 | H5 | 115.6° | 29.9° |
C4 | C3 | C6 | H6 | 3.8° | 150.0° |
C | C1 | C2 | C3 | 0.4° | 0.3° |
C | C1 | C2 | H1 | 180.0° | 179.7° |
C | C1 | C2 | H2 | 179.6° | 179.8° |
C1 | C | C5 | H4 | 179.5° | 179.7° |
C1 | C | C17 | H8 | 26.8° | 159.4° |
C6 | C3 | C2 | C1 | 177.6° | 180.0° |
C3 | C6 | N | H5 | 120.3° | 120.0° |
C3 | C6 | N | H6 | 120.3° | 120.0° |
C3 | C6 | N | C7 | 82.0° | 89.9° |
C3 | C6 | N | C11 | 95.3° | 90.0° |
C6 | C3 | C2 | H2 | 2.4° | 0.0° |
C6 | C3 | C4 | H3 | 3.1° | 0.0° |
C3 | C6 | H5 | H6 | 119.0° | 120.0° |
C3 | C2 | C1 | H2 | 180.0° | 179.9° |
C2 | C3 | C6 | N | 56.6° | 90.0° |
C3 | C2 | C1 | H1 | 179.6° | 180.0° |
C2 | C3 | C4 | H3 | 177.5° | 180.0° |
C2 | C3 | C6 | H5 | 63.7° | 150.0° |
C2 | C3 | C6 | H6 | 176.9° | 30.0° |
C6 | N | C7 | C11 | 177.3° | 180.0° |
C6 | N | C7 | C8 | 176.4° | 180.0° |
C6 | N | C11 | O | 3.4° | 0.0° |
C6 | N | C11 | C10 | 173.9° | 180.0° |
N | C6 | H5 | H6 | 119.0° | 120.0° |
C6 | N | C7 | H7 | 3.6° | 0.2° |
N | C7 | C8 | H7 | 180.0° | 179.8° |
C7 | N | C11 | O | 179.2° | 180.0° |
C7 | N | C11 | C10 | 3.5° | 0.0° |
N | C7 | C8 | C12 | 179.9° | 179.8° |
N | C7 | C8 | C9 | 0.2° | 0.2° |
C7 | N | C6 | H5 | 157.7° | 30.1° |
C7 | N | C6 | H6 | 38.3° | 150.0° |
C11 | N | C7 | C8 | 0.9° | 0.1° |
N | C11 | O | C10 | 177.1° | 180.0° |
N | C11 | C10 | C9 | 5.9° | 0.3° |
C11 | N | C6 | H5 | 25.0° | 150.0° |
C11 | N | C6 | H6 | 144.3° | 30.0° |
C11 | N | C7 | H7 | 179.1° | 179.8° |
N | C11 | C10 | H13 | 174.2° | 180.0° |
C7 | C8 | C12 | C13 | 52.8° | 90.3° |
C7 | C8 | C12 | C9 | 179.7° | 180.0° |
C7 | C8 | C12 | C15 | 124.1° | 90.0° |
C7 | C8 | C9 | C10 | 2.3° | 0.5° |
C7 | C8 | C9 | H14 | 177.7° | 180.0° |
C14 | C13 | O1 | C12 | 179.4° | 179.5° |
C14 | C13 | C12 | C8 | 1.7° | 0.4° |
C14 | C13 | O1 | N1 | 179.7° | 179.9° |
C14 | C13 | C12 | C15 | 179.4° | 179.9° |
C13 | C14 | H18 | H19 | 120.0° | 119.9° |
C13 | C14 | H18 | H20 | 120.0° | 120.0° |
C13 | C14 | H19 | H20 | 120.0° | 120.0° |
O | C11 | C10 | C9 | 177.0° | 179.7° |
O | C11 | C10 | H13 | 3.0° | 0.0° |
C11 | C10 | C9 | C8 | 5.2° | 0.5° |
C11 | C10 | C9 | H13 | 180.0° | 179.7° |
C11 | C10 | C9 | H14 | 174.8° | 179.9° |
O1 | C13 | C12 | C8 | 179.0° | 179.9° |
O1 | C13 | C12 | C15 | 1.3° | 0.4° |
C13 | O1 | N1 | C15 | 0.1° | 0.2° |
O1 | C13 | C14 | H18 | 0.0° | 0.0° |
O1 | C13 | C14 | H19 | 120.0° | 120.0° |
O1 | C13 | C14 | H20 | 120.0° | 120.0° |
C13 | C12 | C8 | C15 | 176.9° | 179.6° |
C13 | C12 | C8 | C9 | 126.9° | 89.7° |
C12 | C13 | O1 | N1 | 1.0° | 0.4° |
C13 | C12 | C15 | N1 | 1.2° | 0.3° |
C13 | C12 | C15 | C16 | 179.3° | 179.7° |
C12 | C13 | C14 | H18 | 179.2° | 179.5° |
C12 | C13 | C14 | H19 | 59.2° | 60.6° |
C12 | C13 | C14 | H20 | 60.8° | 59.4° |
C12 | C8 | C9 | C10 | 178.0° | 179.5° |
C8 | C12 | C15 | N1 | 178.7° | 180.0° |
C8 | C12 | C15 | C16 | 1.9° | 0.0° |
C12 | C8 | C7 | H7 | 0.1° | 0.0° |
C12 | C8 | C9 | H14 | 2.0° | 0.0° |
C9 | C8 | C12 | C15 | 56.2° | 90.0° |
C8 | C9 | C10 | H14 | 180.0° | 179.6° |
C9 | C8 | C7 | H7 | 179.7° | 180.0° |
C8 | C9 | C10 | H13 | 174.8° | 179.8° |
O1 | N1 | C15 | C12 | 0.8° | 0.1° |
O1 | N1 | C15 | C16 | 179.8° | 180.0° |
C12 | C15 | N1 | C16 | 179.4° | 180.0° |
C12 | C15 | C16 | H15 | 179.3° | 90.0° |
C12 | C15 | C16 | H16 | 60.7° | 150.0° |
C12 | C15 | C16 | H17 | 59.4° | 30.0° |
N1 | C15 | C16 | H15 | 0.0° | 90.0° |
N1 | C15 | C16 | H16 | 120.0° | 30.0° |
N1 | C15 | C16 | H17 | 120.0° | 149.9° |
C15 | C16 | H15 | H16 | 120.0° | 120.0° |
C15 | C16 | H15 | H17 | 120.0° | 120.0° |
C15 | C16 | H16 | H17 | 120.0° | 120.0° |
H1 | C1 | C2 | H2 | 0.4° | 0.0° |
H3 | C4 | C5 | H4 | 1.9° | 0.0° |
H8 | C17 | O2 | H9 | 65.2° | 60.0° |
H8 | C17 | C18 | H10 | 64.6° | 60.0° |
H8 | C17 | C18 | H11 | 175.4° | 60.0° |
H8 | C17 | C18 | H12 | 55.4° | 180.0° |
H10 | C18 | H11 | H12 | 119.9° | 120.0° |
H13 | C10 | C9 | H14 | 5.2° | 0.2° |
H15 | C16 | H16 | H17 | 120.0° | 120.0° |
H18 | C14 | H19 | H20 | 120.0° | 120.0° |