R8R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | sing | 1.54Å | 1.53Å | |
| C19 | C16 | sing | 1.53Å | 1.57Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.54Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.56Å | |
| C16 | C2 | sing | 1.53Å | 1.54Å | |
| C14 | N1 | sing | 1.47Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C3 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C4 | sing | 1.38Å | 1.35Å | |
| O1 | C1 | doub | 1.21Å | 1.21Å | |
| C1 | O2 | sing | 1.34Å | 1.20Å | |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | N4 | doub | 1.33Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.47Å | 1.44Å | Aromatic |
| C6 | C7 | doub | 1.40Å | 1.41Å | Aromatic |
| C9 | F1 | sing | 1.35Å | 1.36Å | |
| C9 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| N4 | C13 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | N2 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| C12 | N2 | sing | 1.37Å | 1.37Å | Aromatic |
| C12 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| O2 | H19 | sing | 0.97Å | 0.95Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C19 | C16 | 90.4° | 86.9° |
| C19 | C18 | C17 | 89.6° | 87.2° |
| C19 | C18 | H16 | 114.2° | 113.6° |
| C19 | C18 | H15 | 114.2° | 113.7° |
| C18 | C19 | H18 | 114.0° | 113.7° |
| C18 | C19 | H17 | 114.0° | 113.6° |
| C19 | C16 | C15 | 117.4° | 113.6° |
| C19 | C16 | C17 | 87.0° | 87.5° |
| C19 | C16 | C2 | 111.1° | 113.6° |
| C16 | C19 | H18 | 114.0° | 113.7° |
| C16 | C19 | H17 | 114.0° | 113.6° |
| C16 | C15 | C14 | 108.7° | 109.0° |
| C15 | C16 | C17 | 109.0° | 113.6° |
| C15 | C16 | C2 | 111.8° | 112.7° |
| C16 | C15 | H11 | 109.7° | 109.6° |
| C16 | C15 | H12 | 109.7° | 109.5° |
| C15 | C14 | N1 | 108.6° | 109.4° |
| C14 | C15 | H11 | 109.7° | 109.5° |
| C14 | C15 | H12 | 109.7° | 109.5° |
| C15 | C14 | H10 | 109.7° | 109.5° |
| C15 | C14 | H9 | 109.7° | 109.5° |
| C18 | C17 | C16 | 90.8° | 87.0° |
| C17 | C18 | H16 | 114.2° | 113.6° |
| C17 | C18 | H15 | 114.2° | 113.6° |
| C18 | C17 | H13 | 113.9° | 113.6° |
| C18 | C17 | H14 | 113.9° | 113.6° |
| C17 | C16 | C2 | 118.6° | 113.6° |
| C16 | C17 | H13 | 113.9° | 113.7° |
| C16 | C17 | H14 | 113.9° | 113.7° |
| C16 | C2 | C3 | 107.2° | 109.0° |
| C16 | C2 | C1 | 115.1° | 109.6° |
| C16 | C2 | H1 | 107.3° | 109.5° |
| C14 | N1 | C3 | 112.1° | 111.4° |
| C14 | N1 | C4 | 128.4° | 111.0° |
| N1 | C14 | H10 | 109.7° | 109.5° |
| N1 | C14 | H9 | 109.7° | 109.4° |
| C3 | C2 | C1 | 112.0° | 109.6° |
| C2 | C3 | N1 | 106.7° | 109.5° |
| C2 | C3 | H3 | 110.2° | 109.5° |
| C2 | C3 | H2 | 110.2° | 109.4° |
| C3 | C2 | H1 | 107.5° | 109.5° |
| C2 | C1 | O1 | 116.1° | 120.0° |
| C2 | C1 | O2 | 121.5° | 120.0° |
| C1 | C2 | H1 | 107.4° | 109.6° |
| C3 | N1 | C4 | 119.4° | 111.0° |
| N1 | C3 | H3 | 110.2° | 109.5° |
| N1 | C3 | H2 | 110.2° | 109.5° |
| N1 | C4 | N4 | 121.9° | 120.8° |
| N1 | C4 | C5 | 117.6° | 120.8° |
| O1 | C1 | O2 | 122.4° | 120.0° |
| C1 | O2 | H19 | 109.5° | 117.0° |
| C10 | C11 | C6 | 119.3° | 119.9° |
| C11 | C10 | C9 | 119.3° | 120.2° |
| C10 | C11 | H6 | 120.3° | 120.0° |
| C11 | C10 | H5 | 120.4° | 119.9° |
| C11 | C6 | C5 | 133.9° | 133.8° |
| C11 | C6 | C7 | 120.3° | 120.0° |
| C6 | C11 | H6 | 120.3° | 120.1° |
| C10 | C9 | F1 | 118.2° | 119.7° |
| C10 | C9 | C8 | 122.9° | 120.5° |
| C9 | C10 | H5 | 120.4° | 119.9° |
| N4 | C4 | C5 | 119.8° | 118.4° |
| C4 | N4 | C13 | 118.1° | 121.0° |
| C4 | C5 | C6 | 134.7° | 134.6° |
| C4 | C5 | C12 | 117.4° | 118.7° |
| C5 | C6 | C7 | 105.8° | 106.3° |
| C6 | C5 | C12 | 107.9° | 106.6° |
| C6 | C7 | C8 | 120.2° | 119.4° |
| C6 | C7 | N2 | 108.7° | 108.3° |
| F1 | C9 | C8 | 119.0° | 119.8° |
| C9 | C8 | C7 | 118.0° | 120.0° |
| C9 | C8 | H4 | 121.0° | 120.0° |
| N4 | C13 | N3 | 127.2° | 122.5° |
| N4 | C13 | H8 | 116.4° | 118.8° |
| C5 | C12 | N2 | 108.3° | 108.4° |
| C5 | C12 | N3 | 123.7° | 118.5° |
| C8 | C7 | N2 | 131.1° | 132.3° |
| C7 | C8 | H4 | 121.0° | 120.0° |
| C7 | N2 | C12 | 109.3° | 110.4° |
| C7 | N2 | H7 | 125.4° | 124.8° |
| C13 | N3 | C12 | 113.8° | 120.8° |
| N3 | C13 | H8 | 116.4° | 118.7° |
| N2 | C12 | N3 | 128.0° | 133.1° |
| C12 | N2 | H7 | 125.4° | 124.8° |
| H16 | C18 | H15 | 109.5° | 112.8° |
| H13 | C17 | H14 | 109.5° | 112.9° |
| H11 | C15 | H12 | 109.5° | 109.7° |
| H10 | C14 | H9 | 109.5° | 109.5° |
| H3 | C3 | H2 | 109.5° | 109.5° |
| H18 | C19 | H17 | 109.5° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C19 | C16 | H18 | 116.6° | 114.5° |
| C18 | C19 | C16 | H17 | 116.7° | 114.5° |
| C18 | C19 | C16 | C15 | 121.1° | 89.6° |
| C19 | C18 | C17 | H16 | 116.5° | 114.6° |
| C19 | C18 | C17 | H15 | 116.5° | 114.7° |
| C18 | C19 | C16 | C17 | 11.2° | 25.2° |
| C18 | C19 | C16 | C2 | 108.4° | 139.9° |
| C19 | C18 | H16 | H15 | 129.4° | 131.2° |
| C19 | C18 | C17 | H13 | 128.2° | 89.5° |
| C19 | C18 | C17 | H14 | 105.2° | 139.6° |
| C18 | C19 | H18 | H17 | 129.1° | 131.3° |
| C19 | C16 | C15 | C17 | 96.7° | 98.0° |
| C19 | C16 | C15 | C2 | 130.2° | 131.0° |
| C19 | C16 | C15 | C14 | 164.9° | 175.1° |
| C19 | C16 | C17 | C2 | 112.5° | 114.8° |
| C19 | C16 | C2 | C3 | 155.1° | 175.2° |
| C19 | C16 | C2 | C1 | 79.6° | 55.3° |
| C16 | C19 | C18 | H16 | 105.0° | 89.5° |
| C16 | C19 | C18 | H15 | 127.9° | 139.7° |
| C19 | C16 | C17 | H13 | 128.0° | 89.4° |
| C19 | C16 | C17 | H14 | 105.5° | 139.6° |
| C19 | C16 | C15 | H11 | 45.1° | 55.3° |
| C19 | C16 | C15 | H12 | 75.2° | 65.1° |
| C16 | C19 | H18 | H17 | 129.0° | 131.3° |
| C19 | C16 | C2 | H1 | 39.9° | 65.0° |
| C16 | C15 | C14 | H11 | 119.9° | 119.9° |
| C16 | C15 | C14 | H12 | 119.9° | 119.8° |
| C15 | C16 | C17 | C18 | 129.3° | 89.5° |
| C15 | C16 | C17 | C2 | 129.5° | 130.6° |
| C16 | C15 | C14 | N1 | 35.3° | 56.9° |
| C15 | C16 | C2 | C3 | 21.7° | 53.8° |
| C15 | C16 | C2 | C1 | 147.0° | 173.7° |
| C15 | C16 | C17 | H13 | 114.0° | 156.0° |
| C15 | C16 | C17 | H14 | 12.5° | 25.0° |
| C16 | C15 | H11 | H12 | 120.4° | 120.3° |
| C16 | C15 | C14 | H10 | 84.6° | 176.9° |
| C16 | C15 | C14 | H9 | 155.1° | 63.1° |
| C15 | C16 | C19 | H18 | 4.5° | 25.0° |
| C15 | C16 | C19 | H17 | 122.2° | 156.0° |
| C15 | C16 | C2 | H1 | 93.5° | 66.0° |
| C14 | C15 | C16 | C17 | 68.3° | 77.1° |
| C14 | C15 | C16 | C2 | 64.9° | 53.9° |
| C15 | C14 | N1 | H10 | 119.9° | 120.0° |
| C15 | C14 | N1 | H9 | 119.9° | 120.0° |
| C15 | C14 | N1 | C3 | 32.2° | 63.5° |
| C15 | C14 | N1 | C4 | 145.2° | 172.2° |
| C14 | C15 | H11 | H12 | 120.3° | 120.2° |
| C15 | C14 | H10 | H9 | 120.4° | 120.0° |
| C18 | C17 | C16 | H13 | 116.7° | 114.5° |
| C18 | C17 | C16 | H14 | 116.7° | 114.5° |
| C18 | C17 | C16 | C2 | 101.2° | 139.9° |
| C17 | C18 | H16 | H15 | 129.4° | 131.2° |
| C18 | C17 | H13 | H14 | 128.9° | 131.2° |
| C17 | C18 | C19 | H18 | 105.2° | 139.6° |
| C17 | C18 | C19 | H17 | 128.1° | 89.4° |
| C17 | C16 | C2 | C3 | 106.5° | 77.1° |
| C17 | C16 | C2 | C1 | 18.8° | 42.7° |
| C16 | C17 | C18 | H16 | 105.0° | 89.5° |
| C16 | C17 | C18 | H15 | 128.0° | 139.8° |
| C16 | C17 | H13 | H14 | 128.8° | 131.4° |
| C17 | C16 | C15 | H11 | 51.6° | 42.7° |
| C17 | C16 | C15 | H12 | 171.9° | 163.1° |
| C17 | C16 | C19 | H18 | 105.4° | 139.7° |
| C17 | C16 | C19 | H17 | 127.9° | 89.3° |
| C17 | C16 | C2 | H1 | 138.3° | 163.0° |
| C16 | C2 | C3 | C1 | 127.2° | 119.9° |
| C16 | C2 | C3 | H1 | 115.1° | 119.8° |
| C16 | C2 | C1 | H1 | 119.4° | 120.2° |
| C16 | C2 | C3 | N1 | 43.8° | 56.9° |
| C16 | C2 | C1 | O1 | 123.5° | 91.0° |
| C16 | C2 | C1 | O2 | 57.4° | 89.1° |
| C2 | C16 | C17 | H13 | 15.5° | 25.4° |
| C2 | C16 | C17 | H14 | 142.1° | 105.6° |
| C2 | C16 | C15 | H11 | 175.2° | 173.7° |
| C2 | C16 | C15 | H12 | 55.0° | 65.9° |
| C16 | C2 | C3 | H3 | 75.8° | 63.1° |
| C16 | C2 | C3 | H2 | 163.3° | 176.9° |
| C2 | C16 | C19 | H18 | 135.0° | 105.6° |
| C2 | C16 | C19 | H17 | 8.3° | 25.4° |
| C14 | N1 | C3 | C2 | 77.5° | 63.5° |
| C14 | N1 | C3 | C4 | 177.6° | 124.3° |
| C14 | N1 | C4 | N4 | 75.8° | 36.5° |
| C14 | N1 | C4 | C5 | 114.1° | 144.1° |
| N1 | C14 | C15 | H11 | 155.2° | 176.8° |
| N1 | C14 | C15 | H12 | 84.6° | 62.9° |
| N1 | C14 | H10 | H9 | 120.4° | 120.0° |
| C14 | N1 | C3 | H3 | 42.1° | 56.5° |
| C14 | N1 | C3 | H2 | 162.9° | 176.5° |
| C3 | C2 | C1 | H1 | 117.8° | 120.2° |
| C2 | C3 | N1 | H3 | 119.6° | 120.0° |
| C2 | C3 | N1 | H2 | 119.6° | 120.0° |
| C2 | C3 | N1 | C4 | 100.1° | 172.2° |
| C3 | C2 | C1 | O1 | 113.8° | 28.5° |
| C3 | C2 | C1 | O2 | 65.3° | 151.4° |
| C2 | C3 | H3 | H2 | 121.3° | 119.9° |
| C1 | C2 | C3 | N1 | 83.4° | 176.8° |
| C2 | C1 | O1 | O2 | 179.1° | 179.9° |
| C2 | C1 | O2 | H19 | 179.0° | 180.0° |
| C1 | C2 | C3 | H3 | 157.1° | 56.8° |
| C1 | C2 | C3 | H2 | 36.2° | 63.2° |
| C3 | N1 | C4 | N4 | 101.4° | 88.0° |
| C3 | N1 | C4 | C5 | 68.7° | 91.4° |
| C3 | N1 | C14 | H10 | 152.1° | 176.5° |
| C3 | N1 | C14 | H9 | 87.7° | 56.5° |
| N1 | C3 | H3 | H2 | 121.3° | 120.0° |
| N1 | C3 | C2 | H1 | 158.9° | 62.9° |
| N1 | C4 | N4 | C5 | 169.9° | 179.4° |
| N1 | C4 | C5 | C6 | 8.0° | 0.4° |
| N1 | C4 | N4 | C13 | 174.5° | 180.0° |
| N1 | C4 | C5 | C12 | 175.1° | 179.8° |
| C4 | N1 | C14 | H10 | 25.3° | 52.2° |
| C4 | N1 | C14 | H9 | 95.0° | 67.8° |
| C4 | N1 | C3 | H3 | 140.3° | 67.8° |
| C4 | N1 | C3 | H2 | 19.4° | 52.2° |
| O1 | C1 | O2 | H19 | 0.0° | 0.1° |
| O1 | C1 | C2 | H1 | 4.1° | 148.8° |
| O2 | C1 | C2 | H1 | 176.8° | 31.2° |
| C10 | C11 | C6 | H6 | 180.0° | 180.0° |
| C11 | C10 | C9 | H5 | 180.0° | 180.0° |
| C10 | C11 | C6 | C5 | 179.5° | 179.9° |
| C10 | C11 | C6 | C7 | 0.4° | 0.1° |
| C11 | C10 | C9 | F1 | 179.8° | 180.0° |
| C11 | C10 | C9 | C8 | 0.8° | 0.1° |
| C6 | C11 | C10 | C9 | 0.3° | 0.1° |
| C11 | C6 | C5 | C4 | 2.2° | 0.5° |
| C11 | C6 | C5 | C7 | 179.2° | 179.9° |
| C11 | C6 | C5 | C12 | 179.3° | 179.9° |
| C11 | C6 | C7 | C8 | 0.6° | 0.1° |
| C11 | C6 | C7 | N2 | 179.6° | 179.9° |
| C6 | C11 | C10 | H5 | 179.7° | 180.0° |
| C10 | C9 | F1 | C8 | 179.4° | 180.0° |
| C10 | C9 | C8 | C7 | 0.6° | 0.1° |
| C9 | C10 | C11 | H6 | 179.7° | 180.0° |
| C10 | C9 | C8 | H4 | 179.4° | 180.0° |
| N4 | C4 | C5 | C6 | 178.2° | 179.9° |
| N4 | C4 | C5 | C12 | 4.8° | 0.8° |
| C4 | N4 | C13 | N3 | 2.2° | 0.1° |
| C4 | N4 | C13 | H8 | 177.8° | 179.7° |
| C4 | C5 | C6 | C12 | 177.1° | 179.4° |
| C4 | C5 | C6 | C7 | 177.0° | 179.4° |
| C5 | C4 | N4 | C13 | 4.6° | 0.5° |
| C4 | C5 | C12 | N2 | 177.8° | 179.5° |
| C4 | C5 | C12 | N3 | 2.6° | 0.6° |
| C5 | C6 | C7 | C8 | 179.9° | 180.0° |
| C5 | C6 | C7 | N2 | 0.2° | 0.0° |
| C6 | C5 | C12 | N2 | 0.0° | 0.0° |
| C6 | C5 | C12 | N3 | 179.7° | 179.9° |
| C5 | C6 | C11 | H6 | 0.5° | 0.1° |
| C6 | C7 | C8 | C9 | 0.1° | 0.1° |
| C7 | C6 | C5 | C12 | 0.1° | 0.0° |
| C6 | C7 | C8 | N2 | 179.8° | 180.0° |
| C6 | C7 | N2 | C12 | 0.3° | 0.0° |
| C7 | C6 | C11 | H6 | 179.6° | 180.0° |
| C6 | C7 | C8 | H4 | 179.9° | 180.0° |
| C6 | C7 | N2 | H7 | 179.7° | 179.9° |
| F1 | C9 | C8 | C7 | 180.0° | 179.9° |
| F1 | C9 | C10 | H5 | 0.2° | 0.0° |
| F1 | C9 | C8 | H4 | 0.0° | 0.0° |
| C9 | C8 | C7 | H4 | 180.0° | 179.9° |
| C9 | C8 | C7 | N2 | 179.9° | 179.9° |
| C8 | C9 | C10 | H5 | 179.2° | 180.0° |
| N4 | C13 | N3 | H8 | 180.0° | 179.8° |
| N4 | C13 | N3 | C12 | 0.1° | 0.2° |
| C5 | C12 | N2 | C7 | 0.2° | 0.0° |
| C5 | C12 | N3 | C13 | 0.1° | 0.1° |
| C5 | C12 | N2 | N3 | 179.7° | 179.9° |
| C5 | C12 | N2 | H7 | 179.8° | 179.9° |
| C8 | C7 | N2 | C12 | 179.9° | 180.0° |
| C8 | C7 | N2 | H7 | 0.1° | 0.1° |
| C7 | N2 | C12 | H7 | 180.0° | 179.9° |
| C7 | N2 | C12 | N3 | 179.9° | 179.9° |
| N2 | C7 | C8 | H4 | 0.1° | 0.0° |
| C13 | N3 | C12 | N2 | 179.8° | 180.0° |
| C12 | N3 | C13 | H8 | 179.9° | 180.0° |
| N3 | C12 | N2 | H7 | 0.2° | 0.0° |
| H16 | C18 | C17 | H13 | 11.7° | 156.0° |
| H16 | C18 | C17 | H14 | 138.3° | 25.1° |
| H16 | C18 | C19 | H18 | 138.4° | 25.0° |
| H16 | C18 | C19 | H17 | 11.6° | 156.0° |
| H15 | C18 | C17 | H13 | 115.3° | 25.2° |
| H15 | C18 | C17 | H14 | 11.3° | 105.7° |
| H15 | C18 | C19 | H18 | 11.3° | 105.7° |
| H15 | C18 | C19 | H17 | 115.5° | 25.2° |
| H11 | C15 | C14 | H10 | 35.3° | 63.2° |
| H11 | C15 | C14 | H9 | 85.0° | 56.8° |
| H12 | C15 | C14 | H10 | 155.5° | 57.1° |
| H12 | C15 | C14 | H9 | 35.3° | 177.1° |
| H6 | C11 | C10 | H5 | 0.3° | 0.0° |
| H3 | C3 | C2 | H1 | 39.3° | 177.1° |
| H2 | C3 | C2 | H1 | 81.6° | 57.1° |
