7O9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | doub | 1.21Å | 1.31Å | |
| C4 | C5 | sing | 1.51Å | 1.50Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| O2 | C3 | sing | 1.34Å | 1.21Å | |
| C3 | C2 | sing | 1.51Å | 1.53Å | |
| C18 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| O4 | C2 | sing | 1.43Å | 1.42Å | |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| N1 | C1 | sing | 1.47Å | 1.46Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.54Å | |
| C7 | N | sing | 1.40Å | 1.42Å | |
| O | C | doub | 1.21Å | 1.31Å | |
| C | O1 | sing | 1.34Å | 1.21Å | |
| N | C8 | sing | 1.35Å | 1.35Å | |
| O5 | C8 | doub | 1.22Å | 1.23Å | |
| C8 | C9 | sing | 1.48Å | 1.49Å | |
| C9 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.49Å | |
| C13 | F | sing | 1.40Å | 1.33Å | |
| C13 | F1 | sing | 1.40Å | 1.33Å | |
| C13 | F2 | sing | 1.40Å | 1.33Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| O2 | H13 | sing | 0.97Å | 0.95Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| N1 | H15 | sing | 1.01Å | 1.00Å | |
| N1 | H16 | sing | 1.01Å | 1.00Å | |
| O1 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | O2 | 124.2° | 120.1° |
| O3 | C3 | C2 | 114.3° | 119.9° |
| C5 | C4 | O4 | 112.4° | 109.5° |
| C4 | C5 | C18 | 120.9° | 119.9° |
| C4 | C5 | C6 | 120.5° | 120.0° |
| C5 | C4 | H10 | 108.7° | 109.4° |
| C5 | C4 | H11 | 108.7° | 109.5° |
| C4 | O4 | C2 | 114.6° | 114.0° |
| O4 | C4 | H10 | 108.8° | 109.5° |
| O4 | C4 | H11 | 108.7° | 109.5° |
| O2 | C3 | C2 | 121.5° | 120.0° |
| C3 | O2 | H13 | 109.5° | 117.0° |
| C3 | C2 | O4 | 113.2° | 109.5° |
| C3 | C2 | C1 | 111.1° | 109.5° |
| C3 | C2 | H12 | 108.8° | 109.5° |
| C5 | C18 | C17 | 120.8° | 120.1° |
| C18 | C5 | C6 | 118.6° | 120.1° |
| C5 | C18 | H9 | 119.6° | 120.0° |
| C18 | C17 | C16 | 120.3° | 120.1° |
| C18 | C17 | H8 | 119.8° | 120.0° |
| C17 | C18 | H9 | 119.6° | 119.9° |
| C5 | C6 | C7 | 121.0° | 119.9° |
| C5 | C6 | H6 | 119.5° | 120.0° |
| O4 | C2 | C1 | 104.7° | 109.5° |
| O4 | C2 | H12 | 110.3° | 109.5° |
| C17 | C16 | C7 | 119.7° | 119.9° |
| C17 | C16 | H7 | 120.1° | 120.1° |
| C16 | C17 | H8 | 119.9° | 119.9° |
| C2 | C1 | N1 | 113.5° | 109.4° |
| C2 | C1 | C | 109.6° | 109.5° |
| C1 | C2 | H12 | 108.6° | 109.4° |
| C2 | C1 | H14 | 106.9° | 109.5° |
| N1 | C1 | C | 111.8° | 109.5° |
| N1 | C1 | H14 | 107.9° | 109.5° |
| C1 | N1 | H15 | 109.5° | 110.9° |
| C1 | N1 | H16 | 109.5° | 111.0° |
| C6 | C7 | C16 | 119.5° | 119.9° |
| C6 | C7 | N | 122.4° | 120.0° |
| C7 | C6 | H6 | 119.5° | 120.1° |
| C16 | C7 | N | 118.1° | 120.1° |
| C7 | C16 | H7 | 120.1° | 120.0° |
| C1 | C | O | 114.8° | 120.0° |
| C1 | C | O1 | 121.0° | 120.0° |
| C | C1 | H14 | 106.9° | 109.5° |
| C7 | N | C8 | 128.7° | 120.0° |
| C7 | N | H5 | 115.6° | 120.0° |
| O | C | O1 | 124.2° | 120.0° |
| C | O1 | H18 | 109.5° | 117.0° |
| N | C8 | O5 | 124.0° | 120.0° |
| N | C8 | C9 | 115.2° | 120.0° |
| C8 | N | H5 | 115.6° | 120.0° |
| O5 | C8 | C9 | 120.7° | 120.0° |
| C8 | C9 | C10 | 121.4° | 120.2° |
| C8 | C9 | C15 | 120.0° | 120.1° |
| C10 | C9 | C15 | 118.6° | 119.7° |
| C9 | C10 | C11 | 120.5° | 119.9° |
| C9 | C10 | H2 | 119.7° | 120.0° |
| C9 | C15 | C14 | 120.6° | 119.8° |
| C9 | C15 | H4 | 119.7° | 120.1° |
| C10 | C11 | C12 | 120.9° | 120.1° |
| C10 | C11 | H1 | 119.5° | 120.0° |
| C11 | C10 | H2 | 119.7° | 120.1° |
| C15 | C14 | C12 | 120.9° | 120.2° |
| C15 | C14 | H3 | 119.6° | 119.9° |
| C14 | C15 | H4 | 119.7° | 120.1° |
| C11 | C12 | C14 | 118.4° | 120.3° |
| C11 | C12 | C13 | 120.9° | 119.8° |
| C12 | C11 | H1 | 119.5° | 119.9° |
| C14 | C12 | C13 | 120.6° | 119.9° |
| C12 | C14 | H3 | 119.5° | 119.9° |
| C12 | C13 | F | 113.3° | 109.4° |
| C12 | C13 | F1 | 112.4° | 109.5° |
| C12 | C13 | F2 | 112.7° | 109.5° |
| F | C13 | F1 | 105.4° | 109.5° |
| F | C13 | F2 | 106.0° | 109.4° |
| F1 | C13 | F2 | 106.3° | 109.5° |
| H10 | C4 | H11 | 109.4° | 109.5° |
| H15 | N1 | H16 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | O2 | C2 | 179.4° | 179.9° |
| O3 | C3 | C2 | O4 | 57.7° | 0.1° |
| O3 | C3 | C2 | C1 | 59.7° | 120.1° |
| O3 | C3 | C2 | H12 | 179.3° | 120.0° |
| O3 | C3 | O2 | H13 | 0.0° | 0.0° |
| C5 | C4 | O4 | H10 | 120.5° | 119.9° |
| C5 | C4 | O4 | H11 | 120.4° | 120.0° |
| C4 | C5 | C18 | C6 | 179.7° | 179.7° |
| C4 | C5 | C18 | C17 | 179.7° | 179.9° |
| C5 | C4 | O4 | C2 | 80.2° | 180.0° |
| C4 | C5 | C6 | C7 | 178.8° | 179.7° |
| C4 | C5 | C6 | H6 | 1.2° | 0.3° |
| C4 | C5 | C18 | H9 | 0.3° | 0.3° |
| C5 | C4 | H10 | H11 | 118.7° | 120.0° |
| C4 | O4 | C2 | C3 | 66.2° | 90.0° |
| O4 | C4 | C5 | C18 | 135.6° | 90.1° |
| O4 | C4 | C5 | C6 | 44.1° | 89.7° |
| C4 | O4 | C2 | C1 | 172.6° | 149.9° |
| O4 | C4 | H10 | H11 | 118.7° | 120.0° |
| C4 | O4 | C2 | H12 | 55.9° | 30.0° |
| O2 | C3 | C2 | O4 | 121.8° | 180.0° |
| O2 | C3 | C2 | C1 | 120.8° | 60.0° |
| O2 | C3 | C2 | H12 | 1.2° | 59.9° |
| C3 | C2 | O4 | C1 | 121.2° | 120.0° |
| C3 | C2 | O4 | H12 | 122.2° | 120.0° |
| C3 | C2 | C1 | H12 | 119.6° | 120.0° |
| C3 | C2 | C1 | N1 | 65.5° | 55.0° |
| C3 | C2 | C1 | C | 168.8° | 175.0° |
| C2 | C3 | O2 | H13 | 179.4° | 180.0° |
| C3 | C2 | C1 | H14 | 53.3° | 65.0° |
| C5 | C18 | C17 | H9 | 180.0° | 179.8° |
| C5 | C18 | C17 | C16 | 0.5° | 0.2° |
| C18 | C5 | C6 | C7 | 0.8° | 0.0° |
| C18 | C5 | C6 | H6 | 179.2° | 180.0° |
| C5 | C18 | C17 | H8 | 179.5° | 179.7° |
| C18 | C5 | C4 | H10 | 104.0° | 150.0° |
| C18 | C5 | C4 | H11 | 15.1° | 30.0° |
| C17 | C18 | C5 | C6 | 0.0° | 0.2° |
| C18 | C17 | C16 | H8 | 180.0° | 179.9° |
| C18 | C17 | C16 | C7 | 0.1° | 0.0° |
| C18 | C17 | C16 | H7 | 179.9° | 179.9° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C16 | 1.2° | 0.2° |
| C5 | C6 | C7 | N | 176.5° | 180.0° |
| C6 | C5 | C18 | H9 | 180.0° | 180.0° |
| C6 | C5 | C4 | H10 | 76.4° | 30.3° |
| C6 | C5 | C4 | H11 | 164.5° | 150.3° |
| O4 | C2 | C1 | H12 | 117.8° | 120.0° |
| O4 | C2 | C1 | N1 | 57.1° | 65.0° |
| O4 | C2 | C1 | C | 68.6° | 55.0° |
| C2 | O4 | C4 | H10 | 159.4° | 60.0° |
| C2 | O4 | C4 | H11 | 40.2° | 60.0° |
| O4 | C2 | C1 | H14 | 175.9° | 175.0° |
| C17 | C16 | C7 | C6 | 0.7° | 0.2° |
| C17 | C16 | C7 | H7 | 180.0° | 179.9° |
| C17 | C16 | C7 | N | 177.1° | 180.0° |
| C16 | C17 | C18 | H9 | 179.5° | 180.0° |
| C2 | C1 | N1 | C | 124.6° | 120.0° |
| C2 | C1 | N1 | H14 | 118.2° | 120.0° |
| C2 | C1 | C | H14 | 115.5° | 120.0° |
| C2 | C1 | C | O | 77.9° | 99.7° |
| C2 | C1 | C | O1 | 102.2° | 80.0° |
| C2 | C1 | N1 | H15 | 180.0° | 176.0° |
| C2 | C1 | N1 | H16 | 60.0° | 60.0° |
| N1 | C1 | C | H14 | 117.8° | 120.0° |
| N1 | C1 | C | O | 48.8° | 20.3° |
| N1 | C1 | C | O1 | 131.1° | 160.0° |
| N1 | C1 | C2 | H12 | 174.9° | 175.0° |
| C1 | N1 | H15 | H16 | 120.0° | 124.0° |
| C6 | C7 | C16 | N | 177.8° | 179.7° |
| C6 | C7 | N | C8 | 1.2° | 35.1° |
| C6 | C7 | N | H5 | 178.8° | 144.9° |
| C6 | C7 | C16 | H7 | 179.2° | 179.7° |
| C16 | C7 | N | C8 | 179.0° | 145.1° |
| C16 | C7 | N | H5 | 1.1° | 34.8° |
| C16 | C7 | C6 | H6 | 178.8° | 179.8° |
| C7 | C16 | C17 | H8 | 179.9° | 179.9° |
| C1 | C | O | O1 | 180.0° | 179.7° |
| C | C1 | C2 | H12 | 49.2° | 65.0° |
| C | C1 | N1 | H15 | 55.4° | 64.0° |
| C | C1 | N1 | H16 | 64.6° | 60.0° |
| C1 | C | O1 | H18 | 180.0° | 180.0° |
| C7 | N | C8 | H5 | 180.0° | 180.0° |
| C7 | N | C8 | O5 | 11.6° | 4.7° |
| C7 | N | C8 | C9 | 167.5° | 175.3° |
| N | C7 | C6 | H6 | 3.5° | 0.0° |
| N | C7 | C16 | H7 | 3.0° | 0.1° |
| O | C | C1 | H14 | 166.7° | 140.3° |
| O | C | O1 | H18 | 0.0° | 0.3° |
| O1 | C | C1 | H14 | 13.3° | 40.0° |
| N | C8 | O5 | C9 | 179.1° | 180.0° |
| N | C8 | C9 | C10 | 85.3° | 180.0° |
| N | C8 | C9 | C15 | 96.7° | 0.3° |
| O5 | C8 | C9 | C10 | 95.5° | 0.0° |
| O5 | C8 | C9 | C15 | 82.5° | 179.7° |
| O5 | C8 | N | H5 | 168.4° | 175.4° |
| C8 | C9 | C10 | C15 | 178.0° | 179.7° |
| C8 | C9 | C10 | C11 | 176.2° | 180.0° |
| C8 | C9 | C15 | C14 | 176.6° | 180.0° |
| C8 | C9 | C10 | H2 | 3.8° | 0.0° |
| C8 | C9 | C15 | H4 | 3.4° | 0.0° |
| C9 | C8 | N | H5 | 12.5° | 4.7° |
| C9 | C10 | C11 | H2 | 180.0° | 180.0° |
| C10 | C9 | C15 | C14 | 1.4° | 0.3° |
| C9 | C10 | C11 | C12 | 0.5° | 0.0° |
| C9 | C10 | C11 | H1 | 179.5° | 180.0° |
| C10 | C9 | C15 | H4 | 178.6° | 179.7° |
| C15 | C9 | C10 | C11 | 1.8° | 0.3° |
| C9 | C15 | C14 | H4 | 180.0° | 179.9° |
| C9 | C15 | C14 | C12 | 0.4° | 0.0° |
| C15 | C9 | C10 | H2 | 178.2° | 179.7° |
| C9 | C15 | C14 | H3 | 179.6° | 180.0° |
| C10 | C11 | C12 | H1 | 180.0° | 180.0° |
| C10 | C11 | C12 | C14 | 1.3° | 0.3° |
| C10 | C11 | C12 | C13 | 175.9° | 180.0° |
| C15 | C14 | C12 | C11 | 1.7° | 0.3° |
| C15 | C14 | C12 | H3 | 180.0° | 180.0° |
| C15 | C14 | C12 | C13 | 175.5° | 179.9° |
| C11 | C12 | C14 | C13 | 177.2° | 179.7° |
| C11 | C12 | C13 | F | 8.0° | 90.1° |
| C11 | C12 | C13 | F1 | 127.3° | 29.9° |
| C11 | C12 | C13 | F2 | 112.5° | 150.0° |
| C12 | C11 | C10 | H2 | 179.5° | 180.0° |
| C11 | C12 | C14 | H3 | 178.3° | 179.7° |
| C14 | C12 | C13 | F | 169.2° | 90.3° |
| C14 | C12 | C13 | F1 | 49.8° | 149.7° |
| C14 | C12 | C13 | F2 | 70.3° | 29.7° |
| C14 | C12 | C11 | H1 | 178.7° | 179.7° |
| C12 | C14 | C15 | H4 | 179.6° | 180.0° |
| C12 | C13 | F | F1 | 123.3° | 120.0° |
| C12 | C13 | F | F2 | 124.2° | 120.0° |
| C12 | C13 | F1 | F2 | 123.8° | 120.1° |
| C13 | C12 | C11 | H1 | 4.1° | 0.0° |
| C13 | C12 | C14 | H3 | 4.5° | 0.0° |
| F | C13 | F1 | F2 | 112.3° | 120.0° |
| H1 | C11 | C10 | H2 | 0.5° | 0.0° |
| H3 | C14 | C15 | H4 | 0.4° | 0.1° |
| H7 | C16 | C17 | H8 | 0.1° | 0.0° |
| H8 | C17 | C18 | H9 | 0.5° | 0.1° |
| H12 | C2 | C1 | H14 | 66.3° | 55.0° |
| H14 | C1 | N1 | H15 | 61.8° | 56.0° |
| H14 | C1 | N1 | H16 | 178.2° | 180.0° |
