F88
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| N2 | C7 | sing | 1.40Å | 1.42Å | |
| N2 | C6 | sing | 1.35Å | 1.36Å | |
| C7 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C5 | C3 | sing | 1.51Å | 1.50Å | |
| C10 | O1 | sing | 1.36Å | 1.39Å | |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | O | doub | 1.21Å | 1.23Å | |
| O1 | C13 | sing | 1.35Å | 1.37Å | |
| C4 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | N1 | doub | 1.31Å | 1.32Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.35Å | 1.40Å | Aromatic |
| C22 | O3 | sing | 1.43Å | 1.43Å | |
| C13 | N4 | doub | 1.32Å | 1.34Å | Aromatic |
| C13 | C14 | sing | 1.41Å | 1.43Å | Aromatic |
| C15 | C14 | doub | 1.40Å | 1.42Å | Aromatic |
| C15 | C16 | sing | 1.37Å | 1.37Å | Aromatic |
| N4 | C20 | sing | 1.32Å | 1.34Å | Aromatic |
| N1 | N | sing | 1.40Å | 1.36Å | Aromatic |
| C14 | C19 | sing | 1.42Å | 1.42Å | Aromatic |
| O3 | C16 | sing | 1.36Å | 1.37Å | |
| C16 | C17 | doub | 1.40Å | 1.42Å | Aromatic |
| C2 | N | sing | 1.35Å | 1.34Å | Aromatic |
| C20 | N3 | doub | 1.31Å | 1.33Å | Aromatic |
| C19 | N3 | sing | 1.34Å | 1.37Å | Aromatic |
| C19 | C18 | doub | 1.40Å | 1.41Å | Aromatic |
| N | C1 | sing | 1.46Å | 1.47Å | |
| C17 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| C17 | O2 | sing | 1.36Å | 1.37Å | |
| O2 | C21 | sing | 1.43Å | 1.43Å | |
| C1 | C | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H18 | sing | 1.08Å | 1.08Å | |
| C | H19 | sing | 1.09Å | 1.10Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C | H21 | sing | 1.09Å | 1.10Å | |
| N2 | H22 | sing | 0.97Å | 1.00Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C7 | 120.2° | 120.0° |
| C8 | C9 | C10 | 119.9° | 120.0° |
| C9 | C8 | H4 | 119.9° | 120.0° |
| C8 | C9 | H5 | 120.0° | 120.0° |
| C8 | C7 | N2 | 118.5° | 120.0° |
| C8 | C7 | C12 | 119.5° | 119.9° |
| C7 | C8 | H4 | 119.9° | 120.0° |
| C9 | C10 | O1 | 120.0° | 120.0° |
| C9 | C10 | C11 | 120.3° | 120.0° |
| C10 | C9 | H5 | 120.1° | 120.0° |
| C7 | N2 | C6 | 126.6° | 120.0° |
| N2 | C7 | C12 | 122.0° | 120.0° |
| C7 | N2 | H22 | 116.7° | 120.0° |
| N2 | C6 | C5 | 115.1° | 120.0° |
| N2 | C6 | O | 123.8° | 120.0° |
| C6 | N2 | H22 | 116.7° | 120.0° |
| C7 | C12 | C11 | 120.5° | 120.0° |
| C7 | C12 | H7 | 119.8° | 120.0° |
| C6 | C5 | C3 | 112.1° | 109.5° |
| C5 | C6 | O | 121.1° | 120.0° |
| C6 | C5 | H16 | 108.8° | 109.4° |
| C6 | C5 | H17 | 108.8° | 109.4° |
| C5 | C3 | C4 | 126.8° | 126.1° |
| C5 | C3 | C2 | 129.2° | 126.1° |
| C3 | C5 | H16 | 108.8° | 109.5° |
| C3 | C5 | H17 | 108.8° | 109.5° |
| O1 | C10 | C11 | 119.7° | 120.0° |
| C10 | O1 | C13 | 120.3° | 118.0° |
| C10 | C11 | C12 | 119.6° | 120.0° |
| C10 | C11 | H6 | 120.2° | 120.0° |
| O1 | C13 | N4 | 120.4° | 120.8° |
| O1 | C13 | C14 | 115.7° | 120.8° |
| C3 | C4 | N1 | 112.3° | 108.2° |
| C4 | C3 | C2 | 104.0° | 107.9° |
| C3 | C4 | H18 | 123.9° | 125.9° |
| C4 | N1 | N | 104.4° | 108.2° |
| N1 | C4 | H18 | 123.8° | 125.9° |
| C12 | C11 | H6 | 120.2° | 120.0° |
| C11 | C12 | H7 | 119.8° | 120.0° |
| C3 | C2 | N | 106.6° | 107.8° |
| C3 | C2 | H3 | 126.7° | 126.1° |
| C22 | O3 | C16 | 118.1° | 117.0° |
| O3 | C22 | H13 | 109.5° | 109.4° |
| O3 | C22 | H14 | 109.4° | 109.5° |
| O3 | C22 | H15 | 109.5° | 109.5° |
| N4 | C13 | C14 | 123.9° | 118.3° |
| C13 | N4 | C20 | 115.3° | 121.5° |
| C13 | C14 | C15 | 126.5° | 122.0° |
| C13 | C14 | C19 | 114.1° | 118.1° |
| C14 | C15 | C16 | 120.3° | 119.7° |
| C15 | C14 | C19 | 119.4° | 119.9° |
| C14 | C15 | H8 | 119.9° | 120.2° |
| C15 | C16 | O3 | 125.0° | 119.7° |
| C15 | C16 | C17 | 120.3° | 120.8° |
| C16 | C15 | H8 | 119.9° | 120.1° |
| N4 | C20 | N3 | 128.6° | 122.9° |
| N4 | C20 | H9 | 115.7° | 118.5° |
| N1 | N | C2 | 112.6° | 107.9° |
| N1 | N | C1 | 121.0° | 126.0° |
| C14 | C19 | N3 | 122.7° | 118.7° |
| C14 | C19 | C18 | 119.2° | 119.4° |
| O3 | C16 | C17 | 114.6° | 119.6° |
| C16 | C17 | C18 | 120.3° | 120.7° |
| C16 | C17 | O2 | 114.7° | 119.7° |
| C2 | N | C1 | 126.4° | 126.1° |
| N | C2 | H3 | 126.7° | 126.1° |
| C20 | N3 | C19 | 115.3° | 120.5° |
| N3 | C20 | H9 | 115.7° | 118.5° |
| N3 | C19 | C18 | 118.1° | 121.9° |
| C19 | C18 | C17 | 120.6° | 119.6° |
| C19 | C18 | H23 | 119.7° | 120.2° |
| N | C1 | C | 112.1° | 109.5° |
| N | C1 | H1 | 108.8° | 109.5° |
| N | C1 | H2 | 108.8° | 109.4° |
| C18 | C17 | O2 | 125.0° | 119.6° |
| C17 | C18 | H23 | 119.7° | 120.2° |
| C17 | O2 | C21 | 117.9° | 117.0° |
| O2 | C21 | H10 | 109.5° | 109.5° |
| O2 | C21 | H11 | 109.5° | 109.5° |
| O2 | C21 | H12 | 109.5° | 109.5° |
| C | C1 | H1 | 108.8° | 109.5° |
| C | C1 | H2 | 108.8° | 109.5° |
| C1 | C | H19 | 109.5° | 109.5° |
| C1 | C | H20 | 109.5° | 109.5° |
| C1 | C | H21 | 109.5° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H10 | C21 | H11 | 109.5° | 109.5° |
| H10 | C21 | H12 | 109.5° | 109.4° |
| H11 | C21 | H12 | 109.5° | 109.4° |
| H13 | C22 | H14 | 109.5° | 109.5° |
| H13 | C22 | H15 | 109.5° | 109.5° |
| H14 | C22 | H15 | 109.5° | 109.5° |
| H16 | C5 | H17 | 109.5° | 109.4° |
| H19 | C | H20 | 109.5° | 109.5° |
| H19 | C | H21 | 109.4° | 109.5° |
| H20 | C | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C7 | H4 | 180.0° | 180.0° |
| C8 | C9 | C10 | H5 | 180.0° | 180.0° |
| C9 | C8 | C7 | N2 | 179.7° | 179.7° |
| C9 | C8 | C7 | C12 | 0.3° | 0.0° |
| C8 | C9 | C10 | O1 | 179.8° | 180.0° |
| C8 | C9 | C10 | C11 | 0.1° | 0.0° |
| C7 | C8 | C9 | C10 | 0.2° | 0.0° |
| C8 | C7 | N2 | C12 | 179.4° | 179.8° |
| C8 | C7 | N2 | C6 | 136.0° | 36.0° |
| C8 | C7 | C12 | C11 | 0.1° | 0.1° |
| C7 | C8 | C9 | H5 | 179.8° | 180.0° |
| C8 | C7 | C12 | H7 | 179.9° | 180.0° |
| C8 | C7 | N2 | H22 | 43.9° | 144.0° |
| C9 | C10 | O1 | C11 | 179.8° | 180.0° |
| C9 | C10 | O1 | C13 | 68.3° | 76.1° |
| C9 | C10 | C11 | C12 | 0.2° | 0.0° |
| C10 | C9 | C8 | H4 | 179.8° | 180.0° |
| C9 | C10 | C11 | H6 | 179.7° | 180.0° |
| C7 | N2 | C6 | H22 | 180.0° | 180.0° |
| C7 | N2 | C6 | C5 | 162.9° | 175.5° |
| C7 | N2 | C6 | O | 17.0° | 4.5° |
| N2 | C7 | C12 | C11 | 179.4° | 179.7° |
| N2 | C7 | C8 | H4 | 0.4° | 0.3° |
| N2 | C7 | C12 | H7 | 0.5° | 0.2° |
| C6 | N2 | C7 | C12 | 43.4° | 144.2° |
| N2 | C6 | C5 | O | 179.9° | 180.0° |
| N2 | C6 | C5 | C3 | 165.5° | 180.0° |
| N2 | C6 | C5 | H16 | 74.1° | 60.0° |
| N2 | C6 | C5 | H17 | 45.2° | 59.9° |
| C7 | C12 | C11 | C10 | 0.2° | 0.0° |
| C7 | C12 | C11 | H7 | 180.0° | 179.9° |
| C12 | C7 | C8 | H4 | 179.8° | 179.9° |
| C7 | C12 | C11 | H6 | 179.8° | 180.0° |
| C12 | C7 | N2 | H22 | 136.7° | 35.8° |
| C6 | C5 | C3 | H16 | 120.4° | 120.0° |
| C6 | C5 | C3 | H17 | 120.4° | 120.0° |
| C6 | C5 | C3 | C4 | 102.6° | 90.0° |
| C6 | C5 | C3 | C2 | 77.1° | 90.0° |
| C6 | C5 | H16 | H17 | 118.8° | 119.9° |
| C5 | C6 | N2 | H22 | 17.0° | 4.6° |
| C3 | C5 | C6 | O | 14.5° | 0.0° |
| C5 | C3 | C4 | C2 | 179.8° | 180.0° |
| C5 | C3 | C4 | N1 | 180.0° | 180.0° |
| C5 | C3 | C2 | N | 180.0° | 180.0° |
| C5 | C3 | C2 | H3 | 0.0° | 0.3° |
| C3 | C5 | H16 | H17 | 118.8° | 120.1° |
| C5 | C3 | C4 | H18 | 0.0° | 0.1° |
| O1 | C10 | C11 | C12 | 180.0° | 180.0° |
| C10 | O1 | C13 | N4 | 12.0° | 5.6° |
| C10 | O1 | C13 | C14 | 168.0° | 174.7° |
| O1 | C10 | C9 | H5 | 0.2° | 0.0° |
| O1 | C10 | C11 | H6 | 0.0° | 0.0° |
| C11 | C10 | O1 | C13 | 111.4° | 103.9° |
| C10 | C11 | C12 | H6 | 180.0° | 180.0° |
| C11 | C10 | C9 | H5 | 179.9° | 180.0° |
| C10 | C11 | C12 | H7 | 179.8° | 180.0° |
| O | C6 | C5 | H16 | 105.9° | 120.0° |
| O | C6 | C5 | H17 | 134.9° | 120.1° |
| O | C6 | N2 | H22 | 163.0° | 175.5° |
| O1 | C13 | N4 | C14 | 180.0° | 179.7° |
| O1 | C13 | C14 | C15 | 0.1° | 0.2° |
| O1 | C13 | N4 | C20 | 179.7° | 179.7° |
| O1 | C13 | C14 | C19 | 179.8° | 179.7° |
| C3 | C4 | N1 | H18 | 180.0° | 179.9° |
| C3 | C4 | N1 | N | 0.2° | 0.1° |
| C4 | C3 | C2 | N | 0.2° | 0.0° |
| C4 | C3 | C2 | H3 | 179.8° | 179.7° |
| C4 | C3 | C5 | H16 | 137.0° | 30.0° |
| C4 | C3 | C5 | H17 | 17.8° | 150.0° |
| N1 | C4 | C3 | C2 | 0.3° | 0.0° |
| C4 | N1 | N | C2 | 0.1° | 0.1° |
| C4 | N1 | N | C1 | 180.0° | 179.8° |
| C3 | C2 | N | N1 | 0.1° | 0.0° |
| C3 | C2 | N | H3 | 180.0° | 179.7° |
| C3 | C2 | N | C1 | 179.8° | 179.8° |
| C2 | C3 | C5 | H16 | 43.2° | 150.0° |
| C2 | C3 | C5 | H17 | 162.5° | 30.0° |
| C2 | C3 | C4 | H18 | 179.8° | 179.9° |
| C22 | O3 | C16 | C15 | 2.9° | 0.1° |
| C22 | O3 | C16 | C17 | 177.3° | 179.9° |
| O3 | C22 | H13 | H14 | 120.0° | 120.0° |
| O3 | C22 | H13 | H15 | 120.0° | 120.0° |
| O3 | C22 | H14 | H15 | 120.0° | 120.0° |
| N4 | C13 | C14 | C15 | 179.9° | 179.9° |
| N4 | C13 | C14 | C19 | 0.2° | 0.0° |
| C13 | N4 | C20 | N3 | 0.2° | 0.1° |
| C13 | N4 | C20 | H9 | 179.8° | 180.0° |
| C13 | C14 | C15 | C19 | 179.8° | 180.0° |
| C13 | C14 | C15 | C16 | 179.9° | 179.9° |
| C14 | C13 | N4 | C20 | 0.3° | 0.1° |
| C13 | C14 | C19 | N3 | 0.1° | 0.0° |
| C13 | C14 | C19 | C18 | 179.8° | 180.0° |
| C13 | C14 | C15 | H8 | 0.1° | 0.1° |
| C14 | C15 | C16 | H8 | 180.0° | 179.9° |
| C14 | C15 | C16 | O3 | 179.8° | 180.0° |
| C14 | C15 | C16 | C17 | 0.5° | 0.2° |
| C15 | C14 | C19 | N3 | 180.0° | 179.9° |
| C15 | C14 | C19 | C18 | 0.1° | 0.0° |
| C16 | C15 | C14 | C19 | 0.3° | 0.1° |
| C15 | C16 | O3 | C17 | 179.8° | 179.9° |
| C15 | C16 | C17 | C18 | 0.4° | 0.1° |
| C15 | C16 | C17 | O2 | 179.6° | 179.9° |
| N4 | C20 | N3 | H9 | 180.0° | 179.9° |
| N4 | C20 | N3 | C19 | 0.1° | 0.1° |
| N1 | N | C2 | C1 | 179.9° | 179.8° |
| N1 | N | C1 | C | 90.5° | 55.3° |
| N1 | N | C1 | H1 | 149.1° | 64.8° |
| N1 | N | C1 | H2 | 29.8° | 175.2° |
| N1 | N | C2 | H3 | 179.9° | 179.7° |
| N | N1 | C4 | H18 | 179.8° | 180.0° |
| C14 | C19 | N3 | C20 | 0.0° | 0.0° |
| C14 | C19 | N3 | C18 | 179.9° | 180.0° |
| C14 | C19 | C18 | C17 | 0.2° | 0.0° |
| C19 | C14 | C15 | H8 | 179.7° | 180.0° |
| C14 | C19 | C18 | H23 | 179.7° | 180.0° |
| O3 | C16 | C17 | C18 | 179.9° | 180.0° |
| O3 | C16 | C17 | O2 | 0.2° | 0.1° |
| O3 | C16 | C15 | H8 | 0.2° | 0.1° |
| C16 | O3 | C22 | H13 | 180.0° | 60.0° |
| C16 | O3 | C22 | H14 | 60.0° | 180.0° |
| C16 | O3 | C22 | H15 | 60.0° | 60.0° |
| C16 | C17 | C18 | C19 | 0.0° | 0.1° |
| C16 | C17 | C18 | O2 | 179.9° | 179.9° |
| C16 | C17 | O2 | C21 | 174.0° | 180.0° |
| C17 | C16 | C15 | H8 | 179.5° | 180.0° |
| C16 | C17 | C18 | H23 | 180.0° | 179.9° |
| C2 | N | C1 | C | 89.6° | 124.9° |
| C2 | N | C1 | H1 | 30.8° | 115.0° |
| C2 | N | C1 | H2 | 150.1° | 5.0° |
| C20 | N3 | C19 | C18 | 179.9° | 180.0° |
| N3 | C19 | C18 | C17 | 179.9° | 180.0° |
| C19 | N3 | C20 | H9 | 179.9° | 180.0° |
| N3 | C19 | C18 | H23 | 0.1° | 0.1° |
| C19 | C18 | C17 | H23 | 180.0° | 180.0° |
| C19 | C18 | C17 | O2 | 180.0° | 180.0° |
| N | C1 | C | H1 | 120.4° | 120.0° |
| N | C1 | C | H2 | 120.4° | 119.9° |
| N | C1 | H1 | H2 | 118.8° | 119.9° |
| C1 | N | C2 | H3 | 0.2° | 0.1° |
| N | C1 | C | H19 | 180.0° | 60.0° |
| N | C1 | C | H20 | 60.0° | 60.0° |
| N | C1 | C | H21 | 60.0° | 180.0° |
| C18 | C17 | O2 | C21 | 5.9° | 0.1° |
| C17 | O2 | C21 | H10 | 180.0° | 60.1° |
| C17 | O2 | C21 | H11 | 60.0° | 60.0° |
| C17 | O2 | C21 | H12 | 60.0° | 180.0° |
| O2 | C17 | C18 | H23 | 0.0° | 0.0° |
| O2 | C21 | H10 | H11 | 120.0° | 120.1° |
| O2 | C21 | H10 | H12 | 120.0° | 120.0° |
| O2 | C21 | H11 | H12 | 120.0° | 120.0° |
| C | C1 | H1 | H2 | 118.8° | 120.0° |
| C1 | C | H19 | H20 | 120.0° | 120.0° |
| C1 | C | H19 | H21 | 120.0° | 120.0° |
| C1 | C | H20 | H21 | 120.0° | 119.9° |
| H1 | C1 | C | H19 | 59.6° | 180.0° |
| H1 | C1 | C | H20 | 179.6° | 60.0° |
| H1 | C1 | C | H21 | 60.4° | 59.9° |
| H2 | C1 | C | H19 | 59.6° | 60.0° |
| H2 | C1 | C | H20 | 60.4° | 180.0° |
| H2 | C1 | C | H21 | 179.6° | 60.1° |
| H4 | C8 | C9 | H5 | 0.2° | 0.0° |
| H6 | C11 | C12 | H7 | 0.2° | 0.1° |
| H10 | C21 | H11 | H12 | 120.0° | 119.9° |
| H13 | C22 | H14 | H15 | 120.0° | 120.0° |
| H19 | C | H20 | H21 | 120.0° | 120.0° |
