FJ9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | O28 | sing | 1.43Å | 1.43Å | |
| C30 | N25 | sing | 1.47Å | 1.46Å | |
| O28 | C27 | sing | 1.43Å | 1.43Å | |
| N25 | C26 | sing | 1.47Å | 1.46Å | |
| N25 | C23 | sing | 1.38Å | 1.36Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| N22 | C23 | doub | 1.31Å | 1.36Å | Aromatic |
| N22 | C19 | sing | 1.36Å | 1.37Å | Aromatic |
| C23 | O24 | sing | 1.34Å | 1.36Å | Aromatic |
| C19 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.40Å | 1.38Å | Aromatic |
| O24 | C20 | sing | 1.35Å | 1.41Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | N14 | sing | 1.40Å | 1.36Å | |
| N14 | C13 | sing | 1.35Å | 1.35Å | |
| O16 | C13 | doub | 1.21Å | 1.22Å | |
| C13 | C1 | sing | 1.48Å | 1.51Å | |
| C1 | N2 | doub | 1.33Å | 1.35Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| N2 | C3 | sing | 1.32Å | 1.35Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | N10 | sing | 1.32Å | 1.34Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C7 | sing | 1.48Å | 1.40Å | |
| C3 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C7 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| N10 | C11 | doub | 1.32Å | 1.34Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| N14 | H12 | sing | 0.97Å | 1.00Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C30 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C29 | O28 | 110.1° | 109.2° |
| C29 | C30 | N25 | 105.9° | 109.2° |
| C29 | C30 | H14 | 110.4° | 109.5° |
| C29 | C30 | H15 | 110.4° | 109.5° |
| C30 | C29 | H16 | 109.3° | 109.5° |
| C30 | C29 | H17 | 109.3° | 109.5° |
| C29 | O28 | C27 | 111.9° | 113.7° |
| O28 | C29 | H16 | 109.3° | 109.5° |
| O28 | C29 | H17 | 109.3° | 109.5° |
| C30 | N25 | C26 | 119.6° | 110.7° |
| C30 | N25 | C23 | 121.6° | 111.0° |
| N25 | C30 | H14 | 110.3° | 109.5° |
| N25 | C30 | H15 | 110.4° | 109.5° |
| O28 | C27 | C26 | 110.2° | 109.2° |
| O28 | C27 | H18 | 109.3° | 109.5° |
| O28 | C27 | H19 | 109.3° | 109.5° |
| C26 | N25 | C23 | 118.8° | 111.0° |
| N25 | C26 | C27 | 106.6° | 109.3° |
| N25 | C26 | H7 | 110.2° | 109.5° |
| N25 | C26 | H8 | 110.2° | 109.5° |
| N25 | C23 | N22 | 125.0° | 125.0° |
| N25 | C23 | O24 | 121.3° | 124.9° |
| C27 | C26 | H7 | 110.2° | 109.5° |
| C27 | C26 | H8 | 110.2° | 109.5° |
| C26 | C27 | H18 | 109.3° | 109.6° |
| C26 | C27 | H19 | 109.3° | 109.5° |
| C23 | N22 | C19 | 107.0° | 108.7° |
| N22 | C23 | O24 | 113.7° | 110.2° |
| N22 | C19 | C18 | 135.8° | 133.5° |
| N22 | C19 | C20 | 105.7° | 106.7° |
| C23 | O24 | C20 | 101.8° | 108.1° |
| C18 | C19 | C20 | 118.5° | 119.8° |
| C19 | C18 | C17 | 119.6° | 119.8° |
| C19 | C18 | H13 | 120.2° | 120.1° |
| C19 | C20 | O24 | 111.9° | 106.4° |
| C19 | C20 | C21 | 122.9° | 119.9° |
| O24 | C20 | C21 | 125.2° | 133.7° |
| C18 | C17 | C15 | 121.4° | 120.3° |
| C18 | C17 | H5 | 119.3° | 119.8° |
| C17 | C18 | H13 | 120.2° | 120.1° |
| C20 | C21 | C15 | 119.1° | 119.8° |
| C20 | C21 | H6 | 120.5° | 120.1° |
| C17 | C15 | C21 | 118.5° | 120.3° |
| C17 | C15 | N14 | 118.2° | 119.8° |
| C15 | C17 | H5 | 119.3° | 119.9° |
| C21 | C15 | N14 | 123.3° | 119.9° |
| C15 | C21 | H6 | 120.4° | 120.0° |
| C15 | N14 | C13 | 125.5° | 120.0° |
| C15 | N14 | H12 | 117.3° | 120.0° |
| N14 | C13 | O16 | 123.9° | 120.0° |
| N14 | C13 | C1 | 118.9° | 120.0° |
| C13 | N14 | H12 | 117.3° | 120.0° |
| O16 | C13 | C1 | 117.1° | 120.0° |
| C13 | C1 | N2 | 119.4° | 119.7° |
| C13 | C1 | C6 | 121.1° | 119.6° |
| N2 | C1 | C6 | 119.2° | 120.7° |
| C1 | N2 | C3 | 123.1° | 121.6° |
| C1 | C6 | C5 | 119.3° | 119.2° |
| C1 | C6 | H3 | 120.4° | 120.4° |
| N2 | C3 | C7 | 117.5° | 119.7° |
| N2 | C3 | C4 | 118.7° | 120.6° |
| C9 | C8 | C7 | 120.3° | 119.0° |
| C8 | C9 | N10 | 120.3° | 120.9° |
| C9 | C8 | H4 | 119.9° | 120.5° |
| C8 | C9 | H11 | 119.8° | 119.5° |
| C8 | C7 | C3 | 119.3° | 120.9° |
| C8 | C7 | C12 | 117.7° | 118.2° |
| C7 | C8 | H4 | 119.9° | 120.5° |
| C9 | N10 | C11 | 121.3° | 122.0° |
| N10 | C9 | H11 | 119.9° | 119.6° |
| C6 | C5 | C4 | 119.9° | 118.6° |
| C6 | C5 | H2 | 120.1° | 120.8° |
| C5 | C6 | H3 | 120.3° | 120.4° |
| C7 | C3 | C4 | 123.7° | 119.7° |
| C3 | C7 | C12 | 123.1° | 120.9° |
| C3 | C4 | C5 | 119.6° | 119.3° |
| C3 | C4 | H1 | 120.2° | 120.4° |
| C7 | C12 | C11 | 119.7° | 119.0° |
| C7 | C12 | H9 | 120.1° | 120.5° |
| N10 | C11 | C12 | 120.8° | 120.9° |
| N10 | C11 | H10 | 119.6° | 119.6° |
| C5 | C4 | H1 | 120.2° | 120.3° |
| C4 | C5 | H2 | 120.0° | 120.7° |
| C11 | C12 | H9 | 120.2° | 120.5° |
| C12 | C11 | H10 | 119.6° | 119.5° |
| H7 | C26 | H8 | 109.5° | 109.5° |
| H14 | C30 | H15 | 109.5° | 109.6° |
| H16 | C29 | H17 | 109.5° | 109.6° |
| H18 | C27 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C29 | O28 | H16 | 120.1° | 119.9° |
| C30 | C29 | O28 | H17 | 120.1° | 119.9° |
| C29 | C30 | N25 | H14 | 119.5° | 119.8° |
| C29 | C30 | N25 | H15 | 119.4° | 120.0° |
| C30 | C29 | O28 | C27 | 63.8° | 58.7° |
| C29 | C30 | N25 | C26 | 53.2° | 58.7° |
| C29 | C30 | N25 | C23 | 126.4° | 177.6° |
| C29 | C30 | H14 | H15 | 121.7° | 120.2° |
| C30 | C29 | H16 | H17 | 119.7° | 120.1° |
| O28 | C29 | C30 | N25 | 54.4° | 56.9° |
| C29 | O28 | C27 | C26 | 62.9° | 58.6° |
| O28 | C29 | C30 | H14 | 65.0° | 176.7° |
| O28 | C29 | C30 | H15 | 173.9° | 63.1° |
| O28 | C29 | H16 | H17 | 119.8° | 120.1° |
| C29 | O28 | C27 | H18 | 57.2° | 178.6° |
| C29 | O28 | C27 | H19 | 177.0° | 61.3° |
| C30 | N25 | C26 | C23 | 179.6° | 123.7° |
| C30 | N25 | C26 | C27 | 52.7° | 58.6° |
| C30 | N25 | C23 | N22 | 28.2° | 123.6° |
| C30 | N25 | C23 | O24 | 152.6° | 56.4° |
| C30 | N25 | C26 | H7 | 66.8° | 61.3° |
| C30 | N25 | C26 | H8 | 172.3° | 178.6° |
| N25 | C30 | H14 | H15 | 121.6° | 120.1° |
| N25 | C30 | C29 | H16 | 65.6° | 63.0° |
| N25 | C30 | C29 | H17 | 174.5° | 176.8° |
| O28 | C27 | C26 | N25 | 53.1° | 56.8° |
| O28 | C27 | C26 | H18 | 120.1° | 119.9° |
| O28 | C27 | C26 | H19 | 120.1° | 120.0° |
| O28 | C27 | C26 | H7 | 66.5° | 63.1° |
| O28 | C27 | C26 | H8 | 172.6° | 176.8° |
| C27 | O28 | C29 | H16 | 56.3° | 61.2° |
| C27 | O28 | C29 | H17 | 176.1° | 178.6° |
| O28 | C27 | H18 | H19 | 119.7° | 120.1° |
| N25 | C26 | C27 | H7 | 119.6° | 120.0° |
| N25 | C26 | C27 | H8 | 119.6° | 120.0° |
| C26 | N25 | C23 | N22 | 151.4° | 0.1° |
| C26 | N25 | C23 | O24 | 27.8° | 180.0° |
| N25 | C26 | H7 | H8 | 121.3° | 120.1° |
| C26 | N25 | C30 | H14 | 66.2° | 178.5° |
| C26 | N25 | C30 | H15 | 172.7° | 61.3° |
| N25 | C26 | C27 | H18 | 67.0° | 176.8° |
| N25 | C26 | C27 | H19 | 173.2° | 63.1° |
| C23 | N25 | C26 | C27 | 126.9° | 177.6° |
| N25 | C23 | N22 | O24 | 179.2° | 179.9° |
| N25 | C23 | N22 | C19 | 179.6° | 180.0° |
| N25 | C23 | O24 | C20 | 179.6° | 179.9° |
| C23 | N25 | C26 | H7 | 113.5° | 62.4° |
| C23 | N25 | C26 | H8 | 7.4° | 57.6° |
| C23 | N25 | C30 | H14 | 114.1° | 57.8° |
| C23 | N25 | C30 | H15 | 7.0° | 62.4° |
| C27 | C26 | H7 | H8 | 121.3° | 120.1° |
| C26 | C27 | H18 | H19 | 119.7° | 120.1° |
| C23 | N22 | C19 | C18 | 179.8° | 179.7° |
| C23 | N22 | C19 | C20 | 0.2° | 0.0° |
| N22 | C23 | O24 | C20 | 0.4° | 0.0° |
| C19 | N22 | C23 | O24 | 0.4° | 0.0° |
| N22 | C19 | C18 | C20 | 179.6° | 179.7° |
| N22 | C19 | C20 | O24 | 0.0° | 0.0° |
| N22 | C19 | C18 | C17 | 179.8° | 179.9° |
| N22 | C19 | C20 | C21 | 179.8° | 180.0° |
| N22 | C19 | C18 | H13 | 0.2° | 0.3° |
| C23 | O24 | C20 | C19 | 0.2° | 0.0° |
| C23 | O24 | C20 | C21 | 180.0° | 180.0° |
| C18 | C19 | C20 | O24 | 179.7° | 179.7° |
| C19 | C18 | C17 | H13 | 180.0° | 179.8° |
| C18 | C19 | C20 | C21 | 0.2° | 0.3° |
| C19 | C18 | C17 | C15 | 0.2° | 0.1° |
| C19 | C18 | C17 | H5 | 179.8° | 180.0° |
| C19 | C20 | O24 | C21 | 179.8° | 180.0° |
| C20 | C19 | C18 | C17 | 0.2° | 0.2° |
| C19 | C20 | C21 | C15 | 0.1° | 0.0° |
| C19 | C20 | C21 | H6 | 179.9° | 180.0° |
| C20 | C19 | C18 | H13 | 179.8° | 180.0° |
| O24 | C20 | C21 | C15 | 179.7° | 180.0° |
| O24 | C20 | C21 | H6 | 0.2° | 0.0° |
| C18 | C17 | C15 | H5 | 180.0° | 179.9° |
| C18 | C17 | C15 | C21 | 0.1° | 0.3° |
| C18 | C17 | C15 | N14 | 180.0° | 180.0° |
| C20 | C21 | C15 | C17 | 0.0° | 0.3° |
| C20 | C21 | C15 | H6 | 180.0° | 180.0° |
| C20 | C21 | C15 | N14 | 179.9° | 180.0° |
| C17 | C15 | C21 | N14 | 179.9° | 179.7° |
| C17 | C15 | N14 | C13 | 178.9° | 146.6° |
| C17 | C15 | C21 | H6 | 180.0° | 179.7° |
| C17 | C15 | N14 | H12 | 1.2° | 33.4° |
| C15 | C17 | C18 | H13 | 179.8° | 179.7° |
| C21 | C15 | N14 | C13 | 1.0° | 33.6° |
| C21 | C15 | C17 | H5 | 179.8° | 179.7° |
| C21 | C15 | N14 | H12 | 179.0° | 146.3° |
| C15 | N14 | C13 | H12 | 180.0° | 179.9° |
| C15 | N14 | C13 | O16 | 2.3° | 5.3° |
| C15 | N14 | C13 | C1 | 178.1° | 174.7° |
| N14 | C15 | C17 | H5 | 0.0° | 0.0° |
| N14 | C15 | C21 | H6 | 0.1° | 0.1° |
| N14 | C13 | O16 | C1 | 175.9° | 180.0° |
| N14 | C13 | C1 | N2 | 1.5° | 0.0° |
| N14 | C13 | C1 | C6 | 176.8° | 180.0° |
| O16 | C13 | C1 | N2 | 174.5° | 180.0° |
| O16 | C13 | C1 | C6 | 0.8° | 0.0° |
| O16 | C13 | N14 | H12 | 177.7° | 174.8° |
| C13 | C1 | N2 | C6 | 175.4° | 180.0° |
| C13 | C1 | N2 | C3 | 177.7° | 179.7° |
| C13 | C1 | C6 | C5 | 177.7° | 180.0° |
| C13 | C1 | C6 | H3 | 2.3° | 0.1° |
| C1 | C13 | N14 | H12 | 1.9° | 5.2° |
| N2 | C1 | C6 | C5 | 2.4° | 0.0° |
| C1 | N2 | C3 | C7 | 178.9° | 179.7° |
| C1 | N2 | C3 | C4 | 1.2° | 0.7° |
| N2 | C1 | C6 | H3 | 177.6° | 179.9° |
| C6 | C1 | N2 | C3 | 2.3° | 0.3° |
| C1 | C6 | C5 | H3 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 1.4° | 0.1° |
| C1 | C6 | C5 | H2 | 178.6° | 180.0° |
| N2 | C3 | C7 | C8 | 0.0° | 179.9° |
| N2 | C3 | C7 | C4 | 179.9° | 179.6° |
| N2 | C3 | C7 | C12 | 179.9° | 0.4° |
| N2 | C3 | C4 | C5 | 0.2° | 0.6° |
| N2 | C3 | C4 | H1 | 179.8° | 179.7° |
| C9 | C8 | C7 | H4 | 180.0° | 179.9° |
| C8 | C9 | N10 | H11 | 180.0° | 179.9° |
| C9 | C8 | C7 | C3 | 180.0° | 179.7° |
| C9 | C8 | C7 | C12 | 0.0° | 0.0° |
| C8 | C9 | N10 | C11 | 0.2° | 0.1° |
| C7 | C8 | C9 | N10 | 0.1° | 0.1° |
| C8 | C7 | C3 | C12 | 180.0° | 179.7° |
| C8 | C7 | C3 | C4 | 179.8° | 0.3° |
| C8 | C7 | C12 | C11 | 0.0° | 0.0° |
| C8 | C7 | C12 | H9 | 180.0° | 179.9° |
| C7 | C8 | C9 | H11 | 179.9° | 180.0° |
| C9 | N10 | C11 | C12 | 0.2° | 0.0° |
| N10 | C9 | C8 | H4 | 179.9° | 180.0° |
| C9 | N10 | C11 | H10 | 179.8° | 180.0° |
| C6 | C5 | C4 | C3 | 0.3° | 0.2° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | H1 | 179.7° | 179.9° |
| C7 | C3 | C4 | C5 | 179.9° | 179.8° |
| C3 | C7 | C12 | C11 | 180.0° | 179.7° |
| C7 | C3 | C4 | H1 | 0.1° | 0.1° |
| C3 | C7 | C8 | H4 | 0.0° | 0.2° |
| C3 | C7 | C12 | H9 | 0.0° | 0.4° |
| C4 | C3 | C7 | C12 | 0.2° | 180.0° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | H2 | 179.7° | 179.7° |
| C7 | C12 | C11 | N10 | 0.1° | 0.0° |
| C7 | C12 | C11 | H9 | 180.0° | 179.9° |
| C12 | C7 | C8 | H4 | 180.0° | 179.9° |
| C7 | C12 | C11 | H10 | 179.9° | 179.9° |
| N10 | C11 | C12 | H10 | 180.0° | 179.9° |
| N10 | C11 | C12 | H9 | 179.9° | 179.9° |
| C11 | N10 | C9 | H11 | 179.8° | 180.0° |
| C4 | C5 | C6 | H3 | 178.6° | 180.0° |
| H1 | C4 | C5 | H2 | 0.3° | 0.0° |
| H2 | C5 | C6 | H3 | 1.4° | 0.1° |
| H4 | C8 | C9 | H11 | 0.1° | 0.1° |
| H5 | C17 | C18 | H13 | 0.3° | 0.2° |
| H7 | C26 | C27 | H18 | 173.4° | 56.8° |
| H7 | C26 | C27 | H19 | 53.6° | 176.9° |
| H8 | C26 | C27 | H18 | 52.5° | 63.2° |
| H8 | C26 | C27 | H19 | 67.2° | 56.9° |
| H9 | C12 | C11 | H10 | 0.1° | 0.0° |
| H14 | C30 | C29 | H16 | 174.9° | 56.8° |
| H14 | C30 | C29 | H17 | 55.1° | 63.3° |
| H15 | C30 | C29 | H16 | 53.8° | 177.0° |
| H15 | C30 | C29 | H17 | 66.0° | 56.8° |
