D5H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | sing | 1.55Å | 1.50Å | |
| C18 | C14 | sing | 1.51Å | 1.50Å | |
| C17 | C16 | sing | 1.55Å | 1.51Å | |
| O1 | C13 | doub | 1.22Å | 1.18Å | |
| C14 | C13 | sing | 1.48Å | 1.47Å | |
| C14 | C15 | doub | 1.34Å | 1.32Å | |
| C13 | N | sing | 1.35Å | 1.31Å | |
| C16 | C15 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.37Å | Aromatic |
| C12 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | C19 | sing | 1.47Å | 1.45Å | |
| N | C10 | sing | 1.40Å | 1.34Å | |
| C10 | C9 | doub | 1.39Å | 1.45Å | Aromatic |
| C | O | sing | 1.43Å | 1.39Å | |
| C7 | C5 | sing | 1.48Å | 1.50Å | |
| C7 | C8 | doub | 1.39Å | 1.36Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.37Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.35Å | Aromatic |
| C1 | O | sing | 1.36Å | 1.35Å | |
| C1 | C2 | doub | 1.39Å | 1.36Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.34Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.36Å | Aromatic |
| C9 | F | sing | 1.35Å | 1.28Å | |
| C2 | C3 | sing | 1.38Å | 1.35Å | Aromatic |
| C19 | O3 | doub | 1.21Å | 1.26Å | |
| C19 | O2 | sing | 1.35Å | 1.16Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| N | H11 | sing | 0.97Å | 1.00Å | |
| O2 | H12 | sing | 0.97Å | 0.95Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C18 | C14 | 105.4° | 104.9° |
| C18 | C17 | C16 | 105.9° | 101.8° |
| C17 | C18 | H13 | 110.5° | 110.3° |
| C17 | C18 | H14 | 110.5° | 110.3° |
| C18 | C17 | H15 | 110.4° | 111.0° |
| C18 | C17 | H16 | 110.3° | 110.9° |
| C18 | C14 | C13 | 118.7° | 124.8° |
| C18 | C14 | C15 | 110.4° | 110.5° |
| C14 | C18 | H13 | 110.5° | 110.5° |
| C14 | C18 | H14 | 110.5° | 110.3° |
| C17 | C16 | C15 | 103.9° | 105.0° |
| C16 | C17 | H15 | 110.3° | 110.9° |
| C16 | C17 | H16 | 110.3° | 111.1° |
| C17 | C16 | H17 | 110.8° | 110.4° |
| C17 | C16 | H18 | 110.8° | 110.3° |
| O1 | C13 | C14 | 116.1° | 120.0° |
| O1 | C13 | N | 120.6° | 120.0° |
| C13 | C14 | C15 | 130.9° | 124.7° |
| C14 | C13 | N | 123.2° | 120.0° |
| C14 | C15 | C16 | 112.0° | 110.5° |
| C14 | C15 | C19 | 128.7° | 124.7° |
| C13 | N | C10 | 129.2° | 120.0° |
| C13 | N | H11 | 115.4° | 120.0° |
| C16 | C15 | C19 | 119.3° | 124.7° |
| C15 | C16 | H17 | 110.8° | 110.4° |
| C15 | C16 | H18 | 110.9° | 110.3° |
| C12 | C11 | C10 | 122.1° | 120.1° |
| C11 | C12 | C7 | 122.6° | 119.9° |
| C11 | C12 | H9 | 118.7° | 120.0° |
| C12 | C11 | H10 | 118.9° | 119.9° |
| C11 | C10 | N | 128.3° | 119.9° |
| C11 | C10 | C9 | 115.0° | 120.1° |
| C10 | C11 | H10 | 118.9° | 120.0° |
| C12 | C7 | C5 | 121.7° | 120.0° |
| C12 | C7 | C8 | 116.8° | 120.0° |
| C7 | C12 | H9 | 118.7° | 120.0° |
| C15 | C19 | O3 | 118.9° | 120.0° |
| C15 | C19 | O2 | 126.4° | 120.0° |
| N | C10 | C9 | 116.7° | 120.0° |
| C10 | N | H11 | 115.4° | 120.0° |
| C10 | C9 | C8 | 120.7° | 120.0° |
| C10 | C9 | F | 119.5° | 120.0° |
| C | O | C1 | 122.0° | 117.0° |
| O | C | H5 | 109.5° | 109.5° |
| O | C | H6 | 109.5° | 109.4° |
| O | C | H7 | 109.5° | 109.5° |
| C5 | C7 | C8 | 121.5° | 120.0° |
| C7 | C5 | C6 | 121.7° | 120.1° |
| C7 | C5 | C4 | 121.1° | 120.1° |
| C7 | C8 | C9 | 122.9° | 119.9° |
| C7 | C8 | H1 | 118.6° | 120.0° |
| C5 | C6 | C1 | 121.8° | 119.8° |
| C6 | C5 | C4 | 117.1° | 119.8° |
| C5 | C6 | H8 | 119.1° | 120.2° |
| C6 | C1 | O | 121.8° | 120.0° |
| C6 | C1 | C2 | 118.8° | 120.0° |
| C1 | C6 | H8 | 119.1° | 120.0° |
| C5 | C4 | C3 | 121.8° | 119.9° |
| C5 | C4 | H2 | 119.1° | 120.0° |
| O | C1 | C2 | 119.3° | 120.0° |
| C1 | C2 | C3 | 119.2° | 120.2° |
| C1 | C2 | H4 | 120.4° | 120.0° |
| C4 | C3 | C2 | 121.2° | 120.2° |
| C3 | C4 | H2 | 119.1° | 120.0° |
| C4 | C3 | H3 | 119.4° | 119.9° |
| C8 | C9 | F | 119.9° | 120.0° |
| C9 | C8 | H1 | 118.6° | 120.0° |
| C2 | C3 | H3 | 119.4° | 119.9° |
| C3 | C2 | H4 | 120.4° | 119.9° |
| O3 | C19 | O2 | 114.7° | 120.0° |
| C19 | O2 | H12 | 109.5° | 117.0° |
| H5 | C | H6 | 109.4° | 109.5° |
| H5 | C | H7 | 109.5° | 109.5° |
| H6 | C | H7 | 109.5° | 109.5° |
| H13 | C18 | H14 | 109.5° | 110.4° |
| H15 | C17 | H16 | 109.5° | 110.8° |
| H17 | C16 | H18 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C18 | C14 | H13 | 119.4° | 118.9° |
| C17 | C18 | C14 | H14 | 119.3° | 118.8° |
| C18 | C17 | C16 | H15 | 119.5° | 118.1° |
| C18 | C17 | C16 | H16 | 119.4° | 118.2° |
| C17 | C18 | C14 | C13 | 174.4° | 163.3° |
| C17 | C18 | C14 | C15 | 6.6° | 17.0° |
| C18 | C17 | C16 | C15 | 15.0° | 25.2° |
| C17 | C18 | H13 | H14 | 121.9° | 122.2° |
| C18 | C17 | H15 | H16 | 121.6° | 123.8° |
| C18 | C17 | C16 | H17 | 134.2° | 144.2° |
| C18 | C17 | C16 | H18 | 104.1° | 93.6° |
| C14 | C18 | C17 | C16 | 13.5° | 25.4° |
| C18 | C14 | C13 | O1 | 13.3° | 83.6° |
| C18 | C14 | C13 | C15 | 178.7° | 179.7° |
| C18 | C14 | C13 | N | 164.8° | 96.4° |
| C18 | C14 | C15 | C16 | 3.4° | 0.3° |
| C18 | C14 | C15 | C19 | 176.8° | 179.8° |
| C14 | C18 | H13 | H14 | 121.9° | 122.2° |
| C14 | C18 | C17 | H15 | 106.0° | 143.4° |
| C14 | C18 | C17 | H16 | 132.9° | 92.9° |
| C17 | C16 | C15 | C14 | 11.7° | 16.5° |
| C17 | C16 | C15 | H17 | 119.1° | 118.9° |
| C17 | C16 | C15 | H18 | 119.1° | 118.8° |
| C17 | C16 | C15 | C19 | 168.4° | 163.5° |
| C16 | C17 | C18 | H13 | 105.9° | 93.6° |
| C16 | C17 | C18 | H14 | 132.8° | 144.1° |
| C16 | C17 | H15 | H16 | 121.6° | 123.9° |
| C17 | C16 | H17 | H18 | 122.6° | 122.2° |
| O1 | C13 | C14 | N | 178.1° | 180.0° |
| O1 | C13 | C14 | C15 | 165.5° | 96.1° |
| O1 | C13 | N | C10 | 1.2° | 4.1° |
| O1 | C13 | N | H11 | 178.8° | 176.0° |
| C13 | C14 | C15 | C16 | 175.5° | 180.0° |
| C13 | C14 | C15 | C19 | 4.3° | 0.0° |
| C14 | C13 | N | C10 | 176.8° | 175.9° |
| C14 | C13 | N | H11 | 3.2° | 4.0° |
| C13 | C14 | C18 | H13 | 66.2° | 77.8° |
| C13 | C14 | C18 | H14 | 55.1° | 44.5° |
| C15 | C14 | C13 | N | 16.4° | 83.9° |
| C14 | C15 | C16 | C19 | 179.8° | 180.0° |
| C14 | C15 | C19 | O3 | 172.1° | 5.0° |
| C14 | C15 | C19 | O2 | 7.9° | 174.9° |
| C15 | C14 | C18 | H13 | 112.8° | 102.0° |
| C15 | C14 | C18 | H14 | 125.9° | 135.8° |
| C14 | C15 | C16 | H17 | 130.8° | 135.4° |
| C14 | C15 | C16 | H18 | 107.4° | 102.3° |
| C13 | N | C10 | C11 | 1.9° | 34.5° |
| C13 | N | C10 | H11 | 180.0° | 180.0° |
| C13 | N | C10 | C9 | 179.8° | 145.0° |
| C16 | C15 | C19 | O3 | 8.1° | 174.9° |
| C16 | C15 | C19 | O2 | 171.9° | 5.1° |
| C15 | C16 | C17 | H15 | 104.4° | 143.4° |
| C15 | C16 | C17 | H16 | 134.5° | 92.9° |
| C15 | C16 | H17 | H18 | 122.6° | 122.2° |
| C12 | C11 | C10 | H10 | 180.0° | 179.8° |
| C11 | C12 | C7 | H9 | 180.0° | 180.0° |
| C12 | C11 | C10 | N | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 2.0° | 0.5° |
| C11 | C12 | C7 | C5 | 178.7° | 180.0° |
| C11 | C12 | C7 | C8 | 0.1° | 0.0° |
| C10 | C11 | C12 | C7 | 1.4° | 0.2° |
| C11 | C10 | N | C9 | 178.0° | 179.5° |
| C11 | C10 | C9 | C8 | 1.5° | 0.5° |
| C11 | C10 | C9 | F | 179.9° | 179.8° |
| C10 | C11 | C12 | H9 | 178.6° | 179.8° |
| C11 | C10 | N | H11 | 178.2° | 145.5° |
| C12 | C7 | C5 | C8 | 178.8° | 180.0° |
| C12 | C7 | C5 | C6 | 142.2° | 0.3° |
| C12 | C7 | C5 | C4 | 34.6° | 180.0° |
| C12 | C7 | C8 | C9 | 0.4° | 0.0° |
| C12 | C7 | C8 | H1 | 179.6° | 180.0° |
| C7 | C12 | C11 | H10 | 178.5° | 180.0° |
| C15 | C19 | O3 | O2 | 180.0° | 180.0° |
| C15 | C19 | O2 | H12 | 180.0° | 180.0° |
| C19 | C15 | C16 | H17 | 49.3° | 44.5° |
| C19 | C15 | C16 | H18 | 72.5° | 77.7° |
| N | C10 | C9 | C8 | 179.8° | 180.0° |
| N | C10 | C9 | F | 1.6° | 0.2° |
| N | C10 | C11 | H10 | 0.1° | 0.2° |
| C10 | C9 | C8 | C7 | 0.4° | 0.3° |
| C10 | C9 | C8 | F | 178.6° | 179.7° |
| C10 | C9 | C8 | H1 | 179.6° | 179.8° |
| C9 | C10 | C11 | H10 | 177.9° | 179.7° |
| C9 | C10 | N | H11 | 0.2° | 34.9° |
| C | O | C1 | C6 | 28.1° | 179.7° |
| C | O | C1 | C2 | 154.0° | 0.1° |
| O | C | H5 | H6 | 120.0° | 119.9° |
| O | C | H5 | H7 | 120.0° | 120.0° |
| O | C | H6 | H7 | 120.0° | 120.0° |
| C7 | C5 | C6 | C4 | 176.9° | 179.7° |
| C7 | C5 | C6 | C1 | 177.8° | 179.7° |
| C7 | C5 | C4 | C3 | 179.8° | 180.0° |
| C5 | C7 | C8 | C9 | 179.2° | 180.0° |
| C5 | C7 | C8 | H1 | 0.8° | 0.1° |
| C7 | C5 | C4 | H2 | 0.2° | 0.0° |
| C7 | C5 | C6 | H8 | 2.2° | 0.1° |
| C5 | C7 | C12 | H9 | 1.3° | 0.0° |
| C8 | C7 | C5 | C6 | 36.6° | 179.7° |
| C8 | C7 | C5 | C4 | 146.6° | 0.0° |
| C7 | C8 | C9 | H1 | 180.0° | 179.9° |
| C7 | C8 | C9 | F | 179.0° | 180.0° |
| C8 | C7 | C12 | H9 | 179.9° | 180.0° |
| C5 | C6 | C1 | H8 | 180.0° | 179.7° |
| C5 | C6 | C1 | O | 178.5° | 179.8° |
| C5 | C6 | C1 | C2 | 0.6° | 0.6° |
| C6 | C5 | C4 | C3 | 2.9° | 0.3° |
| C6 | C5 | C4 | H2 | 177.1° | 179.7° |
| C1 | C6 | C5 | C4 | 0.9° | 0.6° |
| C6 | C1 | O | C2 | 177.9° | 179.7° |
| C6 | C1 | C2 | C3 | 0.3° | 0.3° |
| C6 | C1 | C2 | H4 | 179.7° | 179.7° |
| C5 | C4 | C3 | H2 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 3.4° | 0.0° |
| C5 | C4 | C3 | H3 | 176.6° | 179.9° |
| C4 | C5 | C6 | H8 | 179.1° | 179.8° |
| O | C1 | C2 | C3 | 178.2° | 180.0° |
| O | C1 | C2 | H4 | 1.8° | 0.0° |
| C1 | O | C | H5 | 180.0° | 59.9° |
| C1 | O | C | H6 | 60.0° | 60.0° |
| C1 | O | C | H7 | 60.0° | 180.0° |
| O | C1 | C6 | H8 | 1.5° | 0.1° |
| C1 | C2 | C3 | C4 | 1.7° | 0.0° |
| C1 | C2 | C3 | H4 | 180.0° | 180.0° |
| C1 | C2 | C3 | H3 | 178.3° | 179.9° |
| C2 | C1 | C6 | H8 | 179.4° | 179.7° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | H4 | 178.3° | 180.0° |
| F | C9 | C8 | H1 | 1.1° | 0.1° |
| C2 | C3 | C4 | H2 | 176.6° | 180.0° |
| O3 | C19 | O2 | H12 | 0.0° | 0.0° |
| H2 | C4 | C3 | H3 | 3.4° | 0.1° |
| H3 | C3 | C2 | H4 | 1.7° | 0.1° |
| H5 | C | H6 | H7 | 120.0° | 120.1° |
| H9 | C12 | C11 | H10 | 1.5° | 0.1° |
| H13 | C18 | C17 | H15 | 134.7° | 24.4° |
| H13 | C18 | C17 | H16 | 13.5° | 148.1° |
| H14 | C18 | C17 | H15 | 13.4° | 97.8° |
| H14 | C18 | C17 | H16 | 107.8° | 25.9° |
| H15 | C17 | C16 | H17 | 14.7° | 97.7° |
| H15 | C17 | C16 | H18 | 136.5° | 24.6° |
| H16 | C17 | C16 | H17 | 106.4° | 26.0° |
| H16 | C17 | C16 | H18 | 15.3° | 148.3° |
