9FC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C14 | sing | 1.51Å | 1.48Å | |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.53Å | 1.51Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | C12 | sing | 1.39Å | 1.37Å | Aromatic |
| C12 | N10 | sing | 1.40Å | 1.38Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C23 | N24 | sing | 1.47Å | 1.45Å | |
| C23 | C18 | sing | 1.53Å | 1.52Å | |
| N10 | C8 | sing | 1.38Å | 1.38Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | N11 | sing | 1.46Å | 1.46Å | |
| N9 | C8 | doub | 1.32Å | 1.34Å | Aromatic |
| N9 | C4 | sing | 1.32Å | 1.35Å | Aromatic |
| C8 | C7 | sing | 1.41Å | 1.38Å | Aromatic |
| O26 | C1 | doub | 1.22Å | 1.23Å | |
| N11 | C4 | sing | 1.38Å | 1.42Å | |
| C4 | C5 | doub | 1.41Å | 1.38Å | Aromatic |
| C7 | C1 | sing | 1.47Å | 1.47Å | |
| C7 | C6 | doub | 1.40Å | 1.37Å | Aromatic |
| C1 | N27 | sing | 1.35Å | 1.36Å | |
| C5 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
| C5 | C2 | sing | 1.43Å | 1.43Å | |
| C2 | N25 | trip | 1.14Å | 1.17Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| N10 | H5 | sing | 0.97Å | 1.00Å | |
| N11 | H6 | sing | 0.97Å | 1.00Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | 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 | |
| N24 | H21 | sing | 1.01Å | 1.00Å | |
| N24 | H22 | sing | 1.01Å | 1.00Å | |
| N27 | H24 | sing | 0.97Å | 1.00Å | |
| N27 | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C14 | C15 | 120.3° | 120.0° |
| C3 | C14 | C13 | 119.9° | 119.9° |
| C14 | C3 | H2 | 109.5° | 109.4° |
| C14 | C3 | H3 | 109.5° | 109.5° |
| C14 | C3 | H4 | 109.5° | 109.5° |
| C14 | C15 | C16 | 120.3° | 120.1° |
| C15 | C14 | C13 | 119.9° | 120.1° |
| C14 | C15 | H8 | 119.9° | 119.9° |
| C15 | C16 | C17 | 120.2° | 120.1° |
| C16 | C15 | H8 | 119.9° | 119.9° |
| C15 | C16 | H9 | 119.9° | 119.9° |
| C14 | C13 | C12 | 119.6° | 119.9° |
| C14 | C13 | H7 | 120.2° | 120.1° |
| C16 | C17 | C12 | 119.0° | 120.0° |
| C17 | C16 | H9 | 119.9° | 120.0° |
| C16 | C17 | H10 | 120.5° | 120.0° |
| C21 | C22 | C23 | 110.6° | 109.5° |
| C22 | C21 | C20 | 110.8° | 109.5° |
| C22 | C21 | H16 | 109.1° | 109.5° |
| C22 | C21 | H17 | 109.1° | 109.5° |
| C21 | C22 | H18 | 109.2° | 109.5° |
| C21 | C22 | H19 | 109.2° | 109.5° |
| C22 | C23 | N24 | 109.0° | 109.5° |
| C22 | C23 | C18 | 110.1° | 109.4° |
| C23 | C22 | H18 | 109.2° | 109.4° |
| C23 | C22 | H19 | 109.2° | 109.4° |
| C22 | C23 | H20 | 108.0° | 109.4° |
| C21 | C20 | C19 | 113.0° | 109.5° |
| C21 | C20 | H14 | 108.6° | 109.5° |
| C21 | C20 | H15 | 108.6° | 109.5° |
| C20 | C21 | H16 | 109.1° | 109.5° |
| C20 | C21 | H17 | 109.1° | 109.5° |
| C13 | C12 | C17 | 121.0° | 119.8° |
| C13 | C12 | N10 | 116.2° | 120.1° |
| C12 | C13 | H7 | 120.2° | 120.0° |
| C17 | C12 | N10 | 122.8° | 120.1° |
| C12 | C17 | H10 | 120.5° | 120.0° |
| C12 | N10 | C8 | 127.8° | 120.0° |
| C12 | N10 | H5 | 116.1° | 120.1° |
| C20 | C19 | C18 | 110.2° | 109.5° |
| C20 | C19 | H12 | 109.3° | 109.5° |
| C20 | C19 | H13 | 109.3° | 109.5° |
| C19 | C20 | H14 | 108.6° | 109.5° |
| C19 | C20 | H15 | 108.6° | 109.5° |
| N24 | C23 | C18 | 112.9° | 109.5° |
| N24 | C23 | H20 | 108.8° | 109.5° |
| C23 | N24 | H21 | 109.5° | 111.0° |
| C23 | N24 | H22 | 109.5° | 111.0° |
| C23 | C18 | C19 | 110.0° | 109.5° |
| C23 | C18 | N11 | 113.7° | 109.5° |
| C23 | C18 | H11 | 107.2° | 109.4° |
| C18 | C23 | H20 | 107.9° | 109.4° |
| N10 | C8 | N9 | 122.9° | 119.6° |
| N10 | C8 | C7 | 114.0° | 119.6° |
| C8 | N10 | H5 | 116.1° | 120.0° |
| C19 | C18 | N11 | 110.4° | 109.5° |
| C19 | C18 | H11 | 107.3° | 109.5° |
| C18 | C19 | H12 | 109.3° | 109.4° |
| C18 | C19 | H13 | 109.3° | 109.5° |
| C18 | N11 | C4 | 114.6° | 120.0° |
| C18 | N11 | H6 | 108.2° | 120.0° |
| N11 | C18 | H11 | 108.0° | 109.5° |
| C8 | N9 | C4 | 117.6° | 121.8° |
| N9 | C8 | C7 | 123.1° | 120.8° |
| N9 | C4 | N11 | 122.5° | 119.6° |
| N9 | C4 | C5 | 121.3° | 120.8° |
| C8 | C7 | C1 | 122.6° | 120.4° |
| C8 | C7 | C6 | 119.5° | 119.1° |
| O26 | C1 | C7 | 122.9° | 120.0° |
| O26 | C1 | N27 | 126.5° | 120.0° |
| N11 | C4 | C5 | 116.2° | 119.6° |
| C4 | N11 | H6 | 108.2° | 120.0° |
| C4 | C5 | C6 | 120.8° | 119.1° |
| C4 | C5 | C2 | 124.0° | 120.4° |
| C1 | C7 | C6 | 117.9° | 120.4° |
| C7 | C1 | N27 | 110.6° | 120.0° |
| C7 | C6 | C5 | 117.7° | 118.3° |
| C7 | C6 | H1 | 121.2° | 120.8° |
| C1 | N27 | H24 | 120.0° | 120.0° |
| C1 | N27 | H25 | 120.0° | 120.0° |
| C6 | C5 | C2 | 115.2° | 120.4° |
| C5 | C6 | H1 | 121.1° | 120.9° |
| C5 | C2 | N25 | 174.2° | 180.0° |
| H2 | C3 | H3 | 109.5° | 109.4° |
| H2 | C3 | H4 | 109.5° | 109.5° |
| H3 | C3 | H4 | 109.4° | 109.5° |
| H12 | C19 | H13 | 109.4° | 109.5° |
| H14 | C20 | H15 | 109.5° | 109.4° |
| H16 | C21 | H17 | 109.5° | 109.4° |
| H18 | C22 | H19 | 109.5° | 109.5° |
| H21 | N24 | H22 | 109.5° | 111.0° |
| H24 | N27 | H25 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C14 | C15 | C13 | 179.8° | 179.9° |
| C3 | C14 | C15 | C16 | 179.9° | 180.0° |
| C3 | C14 | C13 | C12 | 179.8° | 180.0° |
| C14 | C3 | H2 | H3 | 120.0° | 120.0° |
| C14 | C3 | H2 | H4 | 120.0° | 120.0° |
| C14 | C3 | H3 | H4 | 120.0° | 120.1° |
| C3 | C14 | C13 | H7 | 0.2° | 0.0° |
| C3 | C14 | C15 | H8 | 0.1° | 0.1° |
| C14 | C15 | C16 | H8 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.3° | 0.2° |
| C15 | C14 | C13 | C12 | 0.0° | 0.1° |
| C15 | C14 | C3 | H2 | 89.9° | 90.0° |
| C15 | C14 | C3 | H3 | 150.1° | 29.9° |
| C15 | C14 | C3 | H4 | 30.1° | 150.0° |
| C15 | C14 | C13 | H7 | 180.0° | 180.0° |
| C14 | C15 | C16 | H9 | 179.7° | 180.0° |
| C16 | C15 | C14 | C13 | 0.3° | 0.1° |
| C15 | C16 | C17 | H9 | 180.0° | 179.8° |
| C15 | C16 | C17 | C12 | 0.1° | 0.5° |
| C15 | C16 | C17 | H10 | 179.9° | 180.0° |
| C14 | C13 | C12 | H7 | 180.0° | 180.0° |
| C14 | C13 | C12 | C17 | 0.2° | 0.2° |
| C14 | C13 | C12 | N10 | 179.5° | 180.0° |
| C13 | C14 | C3 | H2 | 89.9° | 90.1° |
| C13 | C14 | C3 | H3 | 30.2° | 150.0° |
| C13 | C14 | C3 | H4 | 150.1° | 30.0° |
| C13 | C14 | C15 | H8 | 179.7° | 180.0° |
| C16 | C17 | C12 | C13 | 0.2° | 0.5° |
| C16 | C17 | C12 | H10 | 180.0° | 179.5° |
| C16 | C17 | C12 | N10 | 179.5° | 179.7° |
| C17 | C16 | C15 | H8 | 179.6° | 179.7° |
| C21 | C22 | C23 | H18 | 120.2° | 120.0° |
| C21 | C22 | C23 | H19 | 120.2° | 120.0° |
| C22 | C21 | C20 | H16 | 120.2° | 120.1° |
| C22 | C21 | C20 | H17 | 120.2° | 120.0° |
| C22 | C21 | C20 | C19 | 53.3° | 60.0° |
| C21 | C22 | C23 | N24 | 64.9° | 180.0° |
| C21 | C22 | C23 | C18 | 59.6° | 60.0° |
| C22 | C21 | C20 | H14 | 67.3° | 60.1° |
| C22 | C21 | C20 | H15 | 173.8° | 180.0° |
| C22 | C21 | H16 | H17 | 119.4° | 120.0° |
| C21 | C22 | H18 | H19 | 119.5° | 120.0° |
| C21 | C22 | C23 | H20 | 177.1° | 60.0° |
| C23 | C22 | C21 | C20 | 55.5° | 60.0° |
| C22 | C23 | N24 | C18 | 122.8° | 120.0° |
| C22 | C23 | N24 | H20 | 117.5° | 120.0° |
| C22 | C23 | C18 | H20 | 117.6° | 119.9° |
| C22 | C23 | C18 | C19 | 60.1° | 60.0° |
| C22 | C23 | C18 | N11 | 175.5° | 60.1° |
| C22 | C23 | C18 | H11 | 56.2° | 180.0° |
| C23 | C22 | C21 | H16 | 175.7° | 179.9° |
| C23 | C22 | C21 | H17 | 64.7° | 60.0° |
| C23 | C22 | H18 | H19 | 119.5° | 119.9° |
| C22 | C23 | N24 | H21 | 180.0° | 60.0° |
| C22 | C23 | N24 | H22 | 60.0° | 176.0° |
| C21 | C20 | C19 | H14 | 120.5° | 120.0° |
| C21 | C20 | C19 | H15 | 120.5° | 120.0° |
| C21 | C20 | C19 | C18 | 53.8° | 60.0° |
| C21 | C20 | C19 | H12 | 173.9° | 180.0° |
| C21 | C20 | C19 | H13 | 66.3° | 60.0° |
| C21 | C20 | H14 | H15 | 118.4° | 120.0° |
| C20 | C21 | H16 | H17 | 119.4° | 120.0° |
| C20 | C21 | C22 | H18 | 175.7° | 60.0° |
| C20 | C21 | C22 | H19 | 64.7° | 180.0° |
| C13 | C12 | C17 | N10 | 179.7° | 179.8° |
| C13 | C12 | N10 | C8 | 170.5° | 144.4° |
| C13 | C12 | N10 | H5 | 9.5° | 35.7° |
| C13 | C12 | C17 | H10 | 179.8° | 180.0° |
| C17 | C12 | N10 | C8 | 9.2° | 35.4° |
| C17 | C12 | N10 | H5 | 170.7° | 144.6° |
| C17 | C12 | C13 | H7 | 179.8° | 179.7° |
| C12 | C17 | C16 | H9 | 179.9° | 179.7° |
| C12 | N10 | C8 | H5 | 180.0° | 180.0° |
| C12 | N10 | C8 | N9 | 4.3° | 5.7° |
| C12 | N10 | C8 | C7 | 176.2° | 174.3° |
| N10 | C12 | C13 | H7 | 0.5° | 0.0° |
| N10 | C12 | C17 | H10 | 0.5° | 0.2° |
| C20 | C19 | C18 | C23 | 56.6° | 60.0° |
| C20 | C19 | C18 | H12 | 120.1° | 120.0° |
| C20 | C19 | C18 | H13 | 120.1° | 120.0° |
| C20 | C19 | C18 | N11 | 177.1° | 60.0° |
| C20 | C19 | C18 | H11 | 59.7° | 180.0° |
| C20 | C19 | H12 | H13 | 119.7° | 120.0° |
| C19 | C20 | H14 | H15 | 118.4° | 120.0° |
| C19 | C20 | C21 | H16 | 173.5° | 179.9° |
| C19 | C20 | C21 | H17 | 66.9° | 60.0° |
| N24 | C23 | C18 | H20 | 120.2° | 120.0° |
| N24 | C23 | C18 | C19 | 62.0° | 180.0° |
| N24 | C23 | C18 | N11 | 62.4° | 60.0° |
| N24 | C23 | C18 | H11 | 178.3° | 60.0° |
| N24 | C23 | C22 | H18 | 55.3° | 60.0° |
| N24 | C23 | C22 | H19 | 175.0° | 60.0° |
| C23 | N24 | H21 | H22 | 120.0° | 123.9° |
| C23 | C18 | C19 | N11 | 126.3° | 120.0° |
| C23 | C18 | C19 | H11 | 116.3° | 120.0° |
| C23 | C18 | N11 | H11 | 118.8° | 119.9° |
| C23 | C18 | N11 | C4 | 72.7° | 155.0° |
| C23 | C18 | N11 | H6 | 166.5° | 25.0° |
| C23 | C18 | C19 | H12 | 176.7° | 180.0° |
| C23 | C18 | C19 | H13 | 63.6° | 60.0° |
| C18 | C23 | C22 | H18 | 179.7° | 60.1° |
| C18 | C23 | C22 | H19 | 60.6° | 180.0° |
| C18 | C23 | N24 | H21 | 57.3° | 180.0° |
| C18 | C23 | N24 | H22 | 62.8° | 56.1° |
| N10 | C8 | N9 | C7 | 179.4° | 180.0° |
| N10 | C8 | N9 | C4 | 179.5° | 180.0° |
| N10 | C8 | C7 | C1 | 0.1° | 0.0° |
| N10 | C8 | C7 | C6 | 179.4° | 179.7° |
| C19 | C18 | N11 | H11 | 117.0° | 120.1° |
| C19 | C18 | N11 | C4 | 163.1° | 85.0° |
| C19 | C18 | N11 | H6 | 42.3° | 95.0° |
| C18 | C19 | H12 | H13 | 119.7° | 120.0° |
| C18 | C19 | C20 | H14 | 66.7° | 60.0° |
| C18 | C19 | C20 | H15 | 174.4° | 180.0° |
| C19 | C18 | C23 | H20 | 177.8° | 60.0° |
| C18 | N11 | C4 | N9 | 8.8° | 0.3° |
| C18 | N11 | C4 | H6 | 120.7° | 180.0° |
| C18 | N11 | C4 | C5 | 171.1° | 180.0° |
| N11 | C18 | C19 | H12 | 57.0° | 60.0° |
| N11 | C18 | C19 | H13 | 62.7° | 180.0° |
| N11 | C18 | C23 | H20 | 57.8° | 180.0° |
| C8 | N9 | C4 | N11 | 179.8° | 180.0° |
| C8 | N9 | C4 | C5 | 0.1° | 0.3° |
| N9 | C8 | C7 | C1 | 179.3° | 180.0° |
| N9 | C8 | C7 | C6 | 0.1° | 0.3° |
| N9 | C8 | N10 | H5 | 175.7° | 174.3° |
| C4 | N9 | C8 | C7 | 0.1° | 0.0° |
| N9 | C4 | N11 | C5 | 179.9° | 179.7° |
| N9 | C4 | C5 | C6 | 0.4° | 0.2° |
| N9 | C4 | C5 | C2 | 179.0° | 180.0° |
| N9 | C4 | N11 | H6 | 111.9° | 179.7° |
| C8 | C7 | C1 | O26 | 1.2° | 6.3° |
| C8 | C7 | C1 | C6 | 179.3° | 179.7° |
| C8 | C7 | C1 | N27 | 178.8° | 173.7° |
| C8 | C7 | C6 | C5 | 0.4° | 0.3° |
| C8 | C7 | C6 | H1 | 179.6° | 179.7° |
| C7 | C8 | N10 | H5 | 3.8° | 5.7° |
| O26 | C1 | C7 | N27 | 180.0° | 180.0° |
| O26 | C1 | C7 | C6 | 179.5° | 174.0° |
| O26 | C1 | N27 | H24 | 0.0° | 180.0° |
| O26 | C1 | N27 | H25 | 180.0° | 0.0° |
| N11 | C4 | C5 | C6 | 179.5° | 180.0° |
| N11 | C4 | C5 | C2 | 0.9° | 0.3° |
| C4 | N11 | C18 | H11 | 46.1° | 35.0° |
| C4 | C5 | C6 | C7 | 0.5° | 0.1° |
| C4 | C5 | C6 | C2 | 178.8° | 179.8° |
| C4 | C5 | C2 | N25 | 96.8° | 96.0° |
| C4 | C5 | C6 | H1 | 179.5° | 180.0° |
| C5 | C4 | N11 | H6 | 68.2° | 0.0° |
| C1 | C7 | C6 | C5 | 179.6° | 180.0° |
| C1 | C7 | C6 | H1 | 0.4° | 0.0° |
| C7 | C1 | N27 | H24 | 180.0° | 0.0° |
| C7 | C1 | N27 | H25 | 0.0° | 180.0° |
| C6 | C7 | C1 | N27 | 0.5° | 6.0° |
| C7 | C6 | C5 | H1 | 180.0° | 180.0° |
| C7 | C6 | C5 | C2 | 179.3° | 179.7° |
| C1 | N27 | H24 | H25 | 180.0° | 180.0° |
| C6 | C5 | C2 | N25 | 82.0° | 84.2° |
| C2 | C5 | C6 | H1 | 0.7° | 0.3° |
| H2 | C3 | H3 | H4 | 120.0° | 120.0° |
| H6 | N11 | C18 | H11 | 74.6° | 145.0° |
| H8 | C15 | C16 | H9 | 0.3° | 0.1° |
| H9 | C16 | C17 | H10 | 0.1° | 0.2° |
| H11 | C18 | C19 | H12 | 60.4° | 60.0° |
| H11 | C18 | C19 | H13 | 179.9° | 60.0° |
| H11 | C18 | C23 | H20 | 61.4° | 60.0° |
| H12 | C19 | C20 | H14 | 53.4° | 60.0° |
| H12 | C19 | C20 | H15 | 65.5° | 60.0° |
| H13 | C19 | C20 | H14 | 173.2° | 180.0° |
| H13 | C19 | C20 | H15 | 54.2° | 60.0° |
| H14 | C20 | C21 | H16 | 52.9° | 60.0° |
| H14 | C20 | C21 | H17 | 172.5° | 179.9° |
| H15 | C20 | C21 | H16 | 66.0° | 59.9° |
| H15 | C20 | C21 | H17 | 53.6° | 60.0° |
| H16 | C21 | C22 | H18 | 64.1° | 60.0° |
| H16 | C21 | C22 | H19 | 55.6° | 60.0° |
| H17 | C21 | C22 | H18 | 55.5° | 180.0° |
| H17 | C21 | C22 | H19 | 175.1° | 60.0° |
| H18 | C22 | C23 | H20 | 62.7° | NaN° |
| H19 | C22 | C23 | H20 | 56.9° | 60.0° |
| H20 | C23 | N24 | H21 | 62.4° | 60.0° |
| H20 | C23 | N24 | H22 | 177.5° | 63.9° |
