FVX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N12 | C11 | sing | 1.47Å | 1.48Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | O9 | sing | 1.43Å | 1.44Å | |
| O9 | N8 | sing | 1.42Å | 1.39Å | |
| N8 | C7 | doub | 1.29Å | 1.27Å | |
| C7 | C13 | sing | 1.48Å | 1.48Å | |
| C7 | C6 | sing | 1.51Å | 1.50Å | |
| C14 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C19 | sing | 1.51Å | 1.51Å | |
| F21 | C19 | sing | 1.40Å | 1.35Å | |
| C3 | O2 | sing | 1.43Å | 1.43Å | |
| F20 | C19 | sing | 1.40Å | 1.35Å | |
| C19 | F22 | sing | 1.40Å | 1.35Å | |
| O2 | C1 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| N12 | H16 | sing | 1.01Å | 1.00Å | |
| N12 | H17 | sing | 1.01Å | 1.00Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C15 | H20 | sing | 1.08Å | 1.08Å | |
| C17 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N12 | C11 | C10 | 109.0° | 109.4° |
| N12 | C11 | H14 | 109.6° | 109.5° |
| N12 | C11 | H15 | 109.6° | 109.5° |
| C11 | N12 | H16 | 109.5° | 110.9° |
| C11 | N12 | H17 | 109.5° | 111.0° |
| C11 | C10 | O9 | 106.9° | 109.5° |
| C11 | C10 | H12 | 110.1° | 109.5° |
| C11 | C10 | H13 | 110.1° | 109.5° |
| C10 | C11 | H14 | 109.6° | 109.5° |
| C10 | C11 | H15 | 109.6° | 109.5° |
| C10 | O9 | N8 | 121.9° | 114.0° |
| O9 | C10 | H12 | 110.1° | 109.5° |
| O9 | C10 | H13 | 110.1° | 109.4° |
| O9 | N8 | C7 | 124.9° | 120.0° |
| N8 | C7 | C13 | 119.8° | 120.0° |
| N8 | C7 | C6 | 124.5° | 120.0° |
| C13 | C7 | C6 | 115.7° | 120.0° |
| C7 | C13 | C14 | 118.7° | 120.1° |
| C7 | C13 | C18 | 119.0° | 120.1° |
| C7 | C6 | C5 | 107.9° | 109.5° |
| C7 | C6 | H10 | 109.9° | 109.5° |
| C7 | C6 | H11 | 109.9° | 109.5° |
| C13 | C14 | C15 | 118.8° | 119.8° |
| C14 | C13 | C18 | 122.3° | 119.8° |
| C13 | C14 | H19 | 120.6° | 120.1° |
| C14 | C15 | C16 | 119.2° | 120.1° |
| C15 | C14 | H19 | 120.6° | 120.0° |
| C14 | C15 | H20 | 120.4° | 119.9° |
| C13 | C18 | C17 | 118.7° | 119.8° |
| C13 | C18 | H22 | 120.6° | 120.1° |
| C15 | C16 | C17 | 121.8° | 120.3° |
| C15 | C16 | C19 | 118.7° | 119.8° |
| C16 | C15 | H20 | 120.4° | 120.0° |
| C5 | C4 | C3 | 110.9° | 109.5° |
| C4 | C5 | C6 | 108.9° | 109.5° |
| C5 | C4 | H6 | 109.1° | 109.5° |
| C5 | C4 | H7 | 109.1° | 109.5° |
| C4 | C5 | H8 | 109.6° | 109.5° |
| C4 | C5 | H9 | 109.6° | 109.4° |
| C4 | C3 | O2 | 109.9° | 109.5° |
| C4 | C3 | H4 | 109.4° | 109.4° |
| C4 | C3 | H5 | 109.4° | 109.4° |
| C3 | C4 | H6 | 109.1° | 109.5° |
| C3 | C4 | H7 | 109.1° | 109.5° |
| C6 | C5 | H8 | 109.6° | 109.5° |
| C6 | C5 | H9 | 109.6° | 109.5° |
| C5 | C6 | H10 | 109.9° | 109.5° |
| C5 | C6 | H11 | 109.9° | 109.4° |
| C18 | C17 | C16 | 119.3° | 120.2° |
| C18 | C17 | H21 | 120.4° | 119.9° |
| C17 | C18 | H22 | 120.7° | 120.1° |
| C17 | C16 | C19 | 119.5° | 119.9° |
| C16 | C17 | H21 | 120.4° | 119.9° |
| C16 | C19 | F21 | 110.4° | 109.5° |
| C16 | C19 | F20 | 110.0° | 109.5° |
| C16 | C19 | F22 | 107.0° | 109.5° |
| F21 | C19 | F20 | 111.2° | 109.5° |
| F21 | C19 | F22 | 109.8° | 109.5° |
| C3 | O2 | C1 | 109.5° | 114.0° |
| O2 | C3 | H4 | 109.4° | 109.5° |
| O2 | C3 | H5 | 109.4° | 109.5° |
| F20 | C19 | F22 | 108.3° | 109.4° |
| O2 | C1 | H1 | 109.5° | 109.5° |
| O2 | C1 | H2 | 109.4° | 109.5° |
| O2 | C1 | H3 | 109.5° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.4° |
| H8 | C5 | H9 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.4° | 109.5° |
| H12 | C10 | H13 | 109.5° | 109.5° |
| H14 | C11 | H15 | 109.4° | 109.5° |
| H16 | N12 | H17 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N12 | C11 | C10 | H14 | 120.0° | 120.0° |
| N12 | C11 | C10 | H15 | 119.9° | 120.0° |
| N12 | C11 | C10 | O9 | 169.9° | 65.0° |
| N12 | C11 | C10 | H12 | 50.2° | 55.0° |
| N12 | C11 | C10 | H13 | 70.6° | 175.0° |
| N12 | C11 | H14 | H15 | 120.2° | 120.0° |
| C11 | N12 | H16 | H17 | 120.0° | 123.9° |
| C11 | C10 | O9 | H12 | 119.6° | 120.1° |
| C11 | C10 | O9 | H13 | 119.6° | 120.0° |
| C11 | C10 | O9 | N8 | 177.1° | 180.0° |
| C11 | C10 | H12 | H13 | 121.2° | 120.1° |
| C10 | C11 | H14 | H15 | 120.2° | 120.0° |
| C10 | C11 | N12 | H16 | 180.0° | 180.0° |
| C10 | C11 | N12 | H17 | 60.0° | 56.1° |
| C10 | O9 | N8 | C7 | 110.2° | 180.0° |
| O9 | C10 | H12 | H13 | 121.2° | 119.9° |
| O9 | C10 | C11 | H14 | 70.2° | 175.0° |
| O9 | C10 | C11 | H15 | 49.9° | 55.0° |
| O9 | N8 | C7 | C13 | 153.5° | 174.8° |
| O9 | N8 | C7 | C6 | 25.8° | 5.2° |
| N8 | O9 | C10 | H12 | 57.5° | 60.0° |
| N8 | O9 | C10 | H13 | 63.3° | 60.0° |
| N8 | C7 | C13 | C6 | 179.4° | 180.0° |
| N8 | C7 | C13 | C14 | 64.9° | 179.7° |
| N8 | C7 | C13 | C18 | 116.4° | 0.0° |
| N8 | C7 | C6 | C5 | 92.3° | 89.6° |
| N8 | C7 | C6 | H10 | 147.9° | 30.4° |
| N8 | C7 | C6 | H11 | 27.5° | 150.4° |
| C7 | C13 | C14 | C18 | 178.6° | 179.7° |
| C7 | C13 | C14 | C15 | 179.5° | 180.0° |
| C13 | C7 | C6 | C5 | 87.1° | 90.4° |
| C7 | C13 | C18 | C17 | 179.3° | 179.7° |
| C13 | C7 | C6 | H10 | 32.7° | 149.6° |
| C13 | C7 | C6 | H11 | 153.2° | 29.6° |
| C7 | C13 | C14 | H19 | 0.5° | 0.1° |
| C7 | C13 | C18 | H22 | 0.7° | 0.0° |
| C6 | C7 | C13 | C14 | 114.4° | 0.3° |
| C6 | C7 | C13 | C18 | 64.2° | 180.0° |
| C7 | C6 | C5 | C4 | 122.4° | 175.2° |
| C7 | C6 | C5 | H10 | 119.8° | 120.0° |
| C7 | C6 | C5 | H11 | 119.7° | 120.0° |
| C7 | C6 | C5 | H8 | 117.6° | 55.2° |
| C7 | C6 | C5 | H9 | 2.5° | 64.8° |
| C7 | C6 | H10 | H11 | 120.7° | 120.0° |
| C13 | C14 | C15 | H19 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.5° | 0.0° |
| C14 | C13 | C18 | C17 | 0.7° | 0.6° |
| C13 | C14 | C15 | H20 | 179.5° | 180.0° |
| C14 | C13 | C18 | H22 | 179.3° | 179.7° |
| C15 | C14 | C13 | C18 | 0.9° | 0.3° |
| C14 | C15 | C16 | H20 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.0° | 0.0° |
| C14 | C15 | C16 | C19 | 179.6° | 180.0° |
| C13 | C18 | C17 | H22 | 180.0° | 179.7° |
| C13 | C18 | C17 | C16 | 0.2° | 0.6° |
| C18 | C13 | C14 | H19 | 179.1° | 179.8° |
| C13 | C18 | C17 | H21 | 179.8° | 179.7° |
| C15 | C16 | C17 | C18 | 0.1° | 0.3° |
| C15 | C16 | C17 | C19 | 179.6° | 180.0° |
| C15 | C16 | C19 | F21 | 110.7° | 30.0° |
| C15 | C16 | C19 | F20 | 12.4° | 150.0° |
| C15 | C16 | C19 | F22 | 129.9° | 90.0° |
| C16 | C15 | C14 | H19 | 179.5° | 179.9° |
| C15 | C16 | C17 | H21 | 179.9° | 180.0° |
| C5 | C4 | C3 | H6 | 120.2° | 120.1° |
| C5 | C4 | C3 | H7 | 120.2° | 120.0° |
| C4 | C5 | C6 | H8 | 119.9° | 120.0° |
| C4 | C5 | C6 | H9 | 119.9° | 119.9° |
| C5 | C4 | C3 | O2 | 38.6° | 180.0° |
| C5 | C4 | C3 | H4 | 81.5° | 60.0° |
| C5 | C4 | C3 | H5 | 158.7° | 60.0° |
| C5 | C4 | H6 | H7 | 119.4° | 120.0° |
| C4 | C5 | H8 | H9 | 120.3° | 120.0° |
| C4 | C5 | C6 | H10 | 117.8° | 64.8° |
| C4 | C5 | C6 | H11 | 2.7° | 55.2° |
| C3 | C4 | C5 | C6 | 63.4° | 180.0° |
| C4 | C3 | O2 | H4 | 120.1° | 120.0° |
| C4 | C3 | O2 | H5 | 120.1° | 120.0° |
| C4 | C3 | O2 | C1 | 120.4° | 180.0° |
| C4 | C3 | H4 | H5 | 119.8° | 119.9° |
| C3 | C4 | H6 | H7 | 119.3° | 120.0° |
| C3 | C4 | C5 | H8 | 56.5° | 60.0° |
| C3 | C4 | C5 | H9 | 176.7° | 60.0° |
| C6 | C5 | C4 | H6 | 56.8° | 60.0° |
| C6 | C5 | C4 | H7 | 176.4° | 60.0° |
| C6 | C5 | H8 | H9 | 120.2° | 120.0° |
| C5 | C6 | H10 | H11 | 120.7° | 120.0° |
| C18 | C17 | C16 | H21 | 180.0° | 179.7° |
| C18 | C17 | C16 | C19 | 179.7° | 179.7° |
| C17 | C16 | C19 | F21 | 69.7° | 150.0° |
| C17 | C16 | C19 | F20 | 167.2° | 30.0° |
| C17 | C16 | C19 | F22 | 49.8° | 90.0° |
| C17 | C16 | C15 | H20 | 180.0° | 180.0° |
| C16 | C17 | C18 | H22 | 179.8° | 179.7° |
| C16 | C19 | F21 | F20 | 122.3° | 120.0° |
| C16 | C19 | F21 | F22 | 117.8° | 120.0° |
| C16 | C19 | F20 | F22 | 116.6° | 120.0° |
| C19 | C16 | C15 | H20 | 0.4° | 0.0° |
| C19 | C16 | C17 | H21 | 0.3° | 0.0° |
| F21 | C19 | F20 | F22 | 120.8° | 120.0° |
| C3 | O2 | C1 | H1 | 180.0° | 60.0° |
| C3 | O2 | C1 | H2 | 60.0° | 60.0° |
| C3 | O2 | C1 | H3 | 60.0° | 180.0° |
| O2 | C3 | H4 | H5 | 119.8° | 120.1° |
| O2 | C3 | C4 | H6 | 158.8° | 59.9° |
| O2 | C3 | C4 | H7 | 81.6° | 60.0° |
| O2 | C1 | H1 | H2 | 120.0° | 120.0° |
| O2 | C1 | H1 | H3 | 120.0° | 120.0° |
| O2 | C1 | H2 | H3 | 120.0° | 119.9° |
| C1 | O2 | C3 | H4 | 119.6° | 60.1° |
| C1 | O2 | C3 | H5 | 0.3° | 60.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | C4 | H6 | 38.7° | 180.0° |
| H4 | C3 | C4 | H7 | 158.3° | 60.0° |
| H5 | C3 | C4 | H6 | 81.1° | 60.1° |
| H5 | C3 | C4 | H7 | 38.5° | 180.0° |
| H6 | C4 | C5 | H8 | 176.8° | 180.0° |
| H6 | C4 | C5 | H9 | 63.0° | 60.0° |
| H7 | C4 | C5 | H8 | 63.7° | 60.0° |
| H7 | C4 | C5 | H9 | 56.5° | 180.0° |
| H8 | C5 | C6 | H10 | 2.1° | 175.2° |
| H8 | C5 | C6 | H11 | 122.6° | 64.8° |
| H9 | C5 | C6 | H10 | 122.3° | 55.2° |
| H9 | C5 | C6 | H11 | 117.2° | 175.2° |
| H12 | C10 | C11 | H14 | 170.2° | 65.0° |
| H12 | C10 | C11 | H15 | 69.7° | 175.0° |
| H13 | C10 | C11 | H14 | 49.4° | 55.0° |
| H13 | C10 | C11 | H15 | 169.5° | 64.9° |
| H14 | C11 | N12 | H16 | 60.0° | 60.0° |
| H14 | C11 | N12 | H17 | 60.0° | 176.0° |
| H15 | C11 | N12 | H16 | 60.1° | 60.0° |
| H15 | C11 | N12 | H17 | 179.9° | 63.9° |
| H19 | C14 | C15 | H20 | 0.5° | 0.1° |
| H21 | C17 | C18 | H22 | 0.2° | 0.0° |
