8RI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| O02 | C22 | sing | 1.36Å | 1.40Å | |
| C24 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.54Å | |
| C18 | C15 | sing | 1.53Å | 1.54Å | |
| C16 | N02 | sing | 1.47Å | 1.46Å | |
| C17 | N02 | sing | 1.47Å | 1.45Å | |
| C15 | N02 | sing | 1.47Å | 1.48Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| C14 | N01 | sing | 1.47Å | 1.47Å | |
| N01 | C01 | sing | 1.35Å | 1.47Å | |
| O01 | C01 | doub | 1.22Å | 1.18Å | |
| C01 | C02 | sing | 1.46Å | 1.55Å | |
| C02 | C03 | doub | 1.35Å | 1.35Å | |
| C03 | C04 | sing | 1.47Å | 1.57Å | |
| C04 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C04 | C13 | sing | 1.46Å | 1.42Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.37Å | Aromatic |
| C06 | C07 | doub | 1.36Å | 1.37Å | Aromatic |
| C13 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C08 | sing | 1.42Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.36Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.41Å | 1.38Å | Aromatic |
| C08 | C09 | doub | 1.40Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.36Å | 1.38Å | Aromatic |
| C02 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.08Å | 1.08Å | |
| C21 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| N01 | H25 | sing | 0.97Å | 1.00Å | |
| O02 | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | C22 | 120.1° | 119.9° |
| C23 | C24 | C19 | 120.1° | 120.1° |
| C24 | C23 | H23 | 119.9° | 120.0° |
| C23 | C24 | H24 | 119.9° | 120.0° |
| C23 | C22 | O02 | 120.2° | 120.0° |
| C23 | C22 | C21 | 119.8° | 119.9° |
| C22 | C23 | H23 | 120.0° | 120.0° |
| O02 | C22 | C21 | 120.0° | 120.1° |
| C22 | O02 | H27 | 109.5° | 114.0° |
| C24 | C19 | C20 | 119.7° | 120.1° |
| C24 | C19 | C18 | 119.2° | 119.9° |
| C19 | C24 | H24 | 119.9° | 120.0° |
| C22 | C21 | C20 | 120.0° | 119.9° |
| C22 | C21 | H22 | 120.0° | 120.0° |
| C21 | C20 | C19 | 120.2° | 120.1° |
| C21 | C20 | H21 | 119.9° | 120.0° |
| C20 | C21 | H22 | 120.0° | 120.1° |
| C20 | C19 | C18 | 121.2° | 120.0° |
| C19 | C20 | H21 | 119.9° | 119.9° |
| C19 | C18 | C15 | 111.7° | 109.5° |
| C19 | C18 | H19 | 108.9° | 109.5° |
| C19 | C18 | H20 | 108.9° | 109.5° |
| C18 | C15 | N02 | 115.2° | 109.5° |
| C18 | C15 | C14 | 107.9° | 109.5° |
| C18 | C15 | H12 | 107.4° | 109.5° |
| C15 | C18 | H19 | 108.9° | 109.5° |
| C15 | C18 | H20 | 108.9° | 109.5° |
| C16 | N02 | C17 | 109.0° | 111.0° |
| C16 | N02 | C15 | 114.9° | 111.0° |
| N02 | C16 | H13 | 109.5° | 109.5° |
| N02 | C16 | H14 | 109.5° | 109.5° |
| N02 | C16 | H15 | 109.5° | 109.5° |
| C17 | N02 | C15 | 113.1° | 111.0° |
| N02 | C17 | H16 | 109.5° | 109.5° |
| N02 | C17 | H17 | 109.5° | 109.4° |
| N02 | C17 | H18 | 109.5° | 109.5° |
| N02 | C15 | C14 | 110.7° | 109.5° |
| N02 | C15 | H12 | 108.1° | 109.4° |
| C15 | C14 | N01 | 107.2° | 109.5° |
| C15 | C14 | H10 | 110.0° | 109.5° |
| C15 | C14 | H11 | 110.0° | 109.4° |
| C14 | C15 | H12 | 107.2° | 109.5° |
| C14 | N01 | C01 | 123.1° | 120.0° |
| N01 | C14 | H10 | 110.0° | 109.5° |
| N01 | C14 | H11 | 110.0° | 109.5° |
| C14 | N01 | H25 | 118.4° | 120.0° |
| N01 | C01 | O01 | 122.1° | 120.0° |
| N01 | C01 | C02 | 115.6° | 120.0° |
| C01 | N01 | H25 | 118.5° | 120.0° |
| O01 | C01 | C02 | 122.3° | 120.1° |
| C01 | C02 | C03 | 120.5° | 120.0° |
| C01 | C02 | H1 | 119.8° | 120.0° |
| C02 | C03 | C04 | 123.9° | 120.0° |
| C03 | C02 | H1 | 119.7° | 120.0° |
| C02 | C03 | H2 | 118.0° | 120.0° |
| C03 | C04 | C05 | 120.3° | 120.8° |
| C03 | C04 | C13 | 121.8° | 120.7° |
| C04 | C03 | H2 | 118.1° | 120.0° |
| C05 | C04 | C13 | 117.9° | 118.6° |
| C04 | C05 | C06 | 122.5° | 120.6° |
| C04 | C05 | H3 | 118.7° | 119.7° |
| C04 | C13 | C12 | 123.9° | 121.5° |
| C04 | C13 | C08 | 118.7° | 118.9° |
| C05 | C06 | C07 | 119.8° | 121.9° |
| C06 | C05 | H3 | 118.7° | 119.8° |
| C05 | C06 | H4 | 120.1° | 119.0° |
| C06 | C07 | C08 | 119.7° | 120.7° |
| C07 | C06 | H4 | 120.1° | 119.1° |
| C06 | C07 | H5 | 120.1° | 119.7° |
| C12 | C13 | C08 | 117.5° | 119.6° |
| C13 | C12 | C11 | 121.1° | 119.6° |
| C13 | C12 | H9 | 119.5° | 120.2° |
| C13 | C08 | C07 | 121.4° | 119.4° |
| C13 | C08 | C09 | 121.4° | 119.2° |
| C12 | C11 | C10 | 120.0° | 120.9° |
| C12 | C11 | H8 | 120.0° | 119.5° |
| C11 | C12 | H9 | 119.5° | 120.2° |
| C07 | C08 | C09 | 117.2° | 121.3° |
| C08 | C07 | H5 | 120.2° | 119.6° |
| C08 | C09 | C10 | 120.0° | 119.6° |
| C08 | C09 | H6 | 120.0° | 120.2° |
| C11 | C10 | C09 | 120.0° | 121.0° |
| C11 | C10 | H7 | 120.0° | 119.5° |
| C10 | C11 | H8 | 120.0° | 119.6° |
| C10 | C09 | H6 | 120.0° | 120.2° |
| C09 | C10 | H7 | 120.0° | 119.5° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.4° |
| H13 | C16 | H15 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H16 | C17 | H17 | 109.4° | 109.4° |
| H16 | C17 | H18 | 109.5° | 109.5° |
| H17 | C17 | H18 | 109.4° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | C22 | H23 | 180.0° | 179.5° |
| C24 | C23 | C22 | O02 | 179.9° | 179.8° |
| C23 | C24 | C19 | H24 | 180.0° | 179.5° |
| C24 | C23 | C22 | C21 | 0.1° | 0.2° |
| C23 | C24 | C19 | C20 | 0.5° | 0.5° |
| C23 | C24 | C19 | C18 | 179.6° | 179.8° |
| C23 | C22 | O02 | C21 | 179.9° | 180.0° |
| C22 | C23 | C24 | C19 | 0.2° | 0.5° |
| C23 | C22 | C21 | C20 | 0.2° | 0.0° |
| C23 | C22 | C21 | H22 | 179.8° | 180.0° |
| C22 | C23 | C24 | H24 | 179.8° | 180.0° |
| C23 | C22 | O02 | H27 | 180.0° | 90.0° |
| O02 | C22 | C21 | C20 | 179.9° | 180.0° |
| O02 | C22 | C21 | H22 | 0.1° | 0.0° |
| O02 | C22 | C23 | H23 | 0.0° | 0.2° |
| C24 | C19 | C20 | C21 | 0.6° | 0.3° |
| C24 | C19 | C20 | C18 | 179.1° | 179.8° |
| C24 | C19 | C18 | C15 | 111.1° | 95.9° |
| C24 | C19 | C18 | H19 | 9.2° | 144.1° |
| C24 | C19 | C18 | H20 | 128.6° | 24.1° |
| C24 | C19 | C20 | H21 | 179.4° | 179.8° |
| C19 | C24 | C23 | H23 | 179.8° | 180.0° |
| C22 | C21 | C20 | H22 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 0.5° | 0.0° |
| C22 | C21 | C20 | H21 | 179.5° | 179.9° |
| C21 | C22 | C23 | H23 | 179.9° | 179.8° |
| C21 | C22 | O02 | H27 | 0.1° | 90.0° |
| C21 | C20 | C19 | H21 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 179.7° | 180.0° |
| C20 | C19 | C18 | C15 | 69.8° | 84.4° |
| C20 | C19 | C18 | H19 | 169.9° | 35.6° |
| C20 | C19 | C18 | H20 | 50.5° | 155.6° |
| C19 | C20 | C21 | H22 | 179.5° | 180.0° |
| C20 | C19 | C24 | H24 | 179.5° | 180.0° |
| C19 | C18 | C15 | H19 | 120.3° | 120.0° |
| C19 | C18 | C15 | H20 | 120.3° | 120.0° |
| C19 | C18 | C15 | N02 | 126.9° | 174.2° |
| C19 | C18 | C15 | C14 | 108.8° | 65.8° |
| C19 | C18 | C15 | H12 | 6.5° | 54.3° |
| C19 | C18 | H19 | H20 | 119.0° | 120.0° |
| C18 | C19 | C20 | H21 | 0.3° | 0.1° |
| C18 | C19 | C24 | H24 | 0.4° | 0.2° |
| C18 | C15 | N02 | C16 | 64.2° | 51.3° |
| C18 | C15 | N02 | C17 | 61.8° | 72.6° |
| C18 | C15 | N02 | C14 | 122.8° | 120.0° |
| C18 | C15 | N02 | H12 | 120.1° | 120.0° |
| C18 | C15 | C14 | H12 | 115.4° | 120.0° |
| C18 | C15 | C14 | N01 | 175.1° | 175.0° |
| C18 | C15 | C14 | H10 | 65.3° | 65.1° |
| C18 | C15 | C14 | H11 | 55.5° | 55.0° |
| C15 | C18 | H19 | H20 | 119.0° | 120.0° |
| C16 | N02 | C17 | C15 | 129.1° | 123.9° |
| C16 | N02 | C15 | C14 | 58.6° | 68.7° |
| C16 | N02 | C15 | H12 | 175.7° | 171.3° |
| N02 | C16 | H13 | H14 | 120.0° | 120.0° |
| N02 | C16 | H13 | H15 | 120.0° | 120.0° |
| N02 | C16 | H14 | H15 | 120.0° | 120.0° |
| C16 | N02 | C17 | H16 | 180.0° | 178.4° |
| C16 | N02 | C17 | H17 | 60.0° | 61.7° |
| C16 | N02 | C17 | H18 | 60.0° | 58.3° |
| C17 | N02 | C15 | C14 | 175.4° | 167.3° |
| C17 | N02 | C15 | H12 | 58.3° | 47.3° |
| C17 | N02 | C16 | H13 | 180.0° | 57.5° |
| C17 | N02 | C16 | H14 | 60.0° | 62.4° |
| C17 | N02 | C16 | H15 | 60.0° | 177.5° |
| N02 | C17 | H16 | H17 | 120.0° | 119.9° |
| N02 | C17 | H16 | H18 | 120.0° | 120.1° |
| N02 | C17 | H17 | H18 | 120.0° | 120.0° |
| N02 | C15 | C14 | H12 | 117.7° | 119.9° |
| N02 | C15 | C14 | N01 | 48.1° | 55.0° |
| N02 | C15 | C14 | H10 | 167.8° | 174.9° |
| N02 | C15 | C14 | H11 | 71.5° | 65.0° |
| C15 | N02 | C16 | H13 | 51.9° | 66.4° |
| C15 | N02 | C16 | H14 | 68.1° | 173.7° |
| C15 | N02 | C16 | H15 | 171.9° | 53.6° |
| C15 | N02 | C17 | H16 | 50.9° | 54.4° |
| C15 | N02 | C17 | H17 | 170.9° | 174.4° |
| C15 | N02 | C17 | H18 | 69.2° | 65.6° |
| N02 | C15 | C18 | H19 | 112.7° | 54.2° |
| N02 | C15 | C18 | H20 | 6.6° | 65.8° |
| C15 | C14 | N01 | H10 | 119.7° | 120.0° |
| C15 | C14 | N01 | H11 | 119.6° | 119.9° |
| C15 | C14 | N01 | C01 | 116.0° | 180.0° |
| C15 | C14 | H10 | H11 | 121.0° | 120.0° |
| C14 | C15 | C18 | H19 | 11.6° | 174.2° |
| C14 | C15 | C18 | H20 | 130.9° | 54.3° |
| C15 | C14 | N01 | H25 | 64.0° | 0.1° |
| C14 | N01 | C01 | H25 | 180.0° | 179.9° |
| C14 | N01 | C01 | O01 | 1.2° | 0.3° |
| C14 | N01 | C01 | C02 | 179.1° | 180.0° |
| N01 | C14 | H10 | H11 | 121.0° | 120.0° |
| N01 | C14 | C15 | H12 | 69.5° | 65.0° |
| N01 | C01 | O01 | C02 | 179.7° | 179.8° |
| N01 | C01 | C02 | C03 | 179.7° | 180.0° |
| N01 | C01 | C02 | H1 | 0.3° | 0.0° |
| C01 | N01 | C14 | H10 | 3.7° | 60.0° |
| C01 | N01 | C14 | H11 | 124.4° | 60.1° |
| O01 | C01 | C02 | C03 | 0.0° | 0.2° |
| O01 | C01 | C02 | H1 | 180.0° | 179.8° |
| O01 | C01 | N01 | H25 | 178.7° | 179.8° |
| C01 | C02 | C03 | H1 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 179.9° | 180.0° |
| C01 | C02 | C03 | H2 | 0.1° | 0.0° |
| C02 | C01 | N01 | H25 | 0.9° | 0.0° |
| C02 | C03 | C04 | H2 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.1° | 0.0° |
| C02 | C03 | C04 | C13 | 179.9° | 179.7° |
| C03 | C04 | C05 | C13 | 180.0° | 179.7° |
| C03 | C04 | C05 | C06 | 180.0° | 180.0° |
| C03 | C04 | C13 | C12 | 0.1° | 0.6° |
| C03 | C04 | C13 | C08 | 180.0° | 179.7° |
| C04 | C03 | C02 | H1 | 0.0° | 0.0° |
| C03 | C04 | C05 | H3 | 0.0° | 0.1° |
| C04 | C05 | C06 | H3 | 180.0° | 179.9° |
| C04 | C05 | C06 | C07 | 0.1° | 0.1° |
| C05 | C04 | C13 | C12 | 179.9° | 179.7° |
| C05 | C04 | C13 | C08 | 0.0° | 0.6° |
| C05 | C04 | C03 | H2 | 179.9° | 180.0° |
| C04 | C05 | C06 | H4 | 179.9° | 180.0° |
| C13 | C04 | C05 | C06 | 0.0° | 0.4° |
| C04 | C13 | C12 | C08 | 180.0° | 179.1° |
| C04 | C13 | C12 | C11 | 179.9° | 179.7° |
| C04 | C13 | C08 | C07 | 0.1° | 0.6° |
| C04 | C13 | C08 | C09 | 179.9° | 179.7° |
| C13 | C04 | C03 | H2 | 0.1° | 0.3° |
| C13 | C04 | C05 | H3 | 180.0° | 179.7° |
| C04 | C13 | C12 | H9 | 0.1° | 0.7° |
| C05 | C06 | C07 | H4 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 0.1° | 0.1° |
| C05 | C06 | C07 | H5 | 179.9° | 180.0° |
| C06 | C07 | C08 | C13 | 0.1° | 0.3° |
| C06 | C07 | C08 | H5 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 180.0° | 179.9° |
| C07 | C06 | C05 | H3 | 179.9° | 180.0° |
| C13 | C12 | C11 | H9 | 180.0° | 179.7° |
| C12 | C13 | C08 | C07 | 179.9° | 179.7° |
| C12 | C13 | C08 | C09 | 0.0° | 0.6° |
| C13 | C12 | C11 | C10 | 0.1° | 0.3° |
| C13 | C12 | C11 | H8 | 179.9° | 179.7° |
| C08 | C13 | C12 | C11 | 0.0° | 0.6° |
| C13 | C08 | C07 | C09 | 179.9° | 179.7° |
| C13 | C08 | C09 | C10 | 0.1° | 0.2° |
| C13 | C08 | C07 | H5 | 179.9° | 179.8° |
| C13 | C08 | C09 | H6 | 179.9° | 179.7° |
| C08 | C13 | C12 | H9 | 180.0° | 179.7° |
| C12 | C11 | C10 | H8 | 180.0° | 180.0° |
| C12 | C11 | C10 | C09 | 0.1° | 0.0° |
| C12 | C11 | C10 | H7 | 179.9° | 180.0° |
| C07 | C08 | C09 | C10 | 179.8° | 180.0° |
| C08 | C07 | C06 | H4 | 179.9° | 180.0° |
| C07 | C08 | C09 | H6 | 0.2° | 0.0° |
| C08 | C09 | C10 | C11 | 0.1° | 0.0° |
| C08 | C09 | C10 | H6 | 180.0° | 180.0° |
| C09 | C08 | C07 | H5 | 0.0° | 0.0° |
| C08 | C09 | C10 | H7 | 179.9° | 180.0° |
| C11 | C10 | C09 | H7 | 180.0° | 180.0° |
| C11 | C10 | C09 | H6 | 179.9° | 180.0° |
| C10 | C11 | C12 | H9 | 179.9° | 180.0° |
| C09 | C10 | C11 | H8 | 179.9° | 180.0° |
| H1 | C02 | C03 | H2 | 179.9° | 180.0° |
| H3 | C05 | C06 | H4 | 0.1° | 0.1° |
| H4 | C06 | C07 | H5 | 0.1° | 0.1° |
| H6 | C09 | C10 | H7 | 0.1° | 0.0° |
| H7 | C10 | C11 | H8 | 0.1° | 0.0° |
| H8 | C11 | C12 | H9 | 0.1° | 0.0° |
| H10 | C14 | C15 | H12 | 50.1° | 55.0° |
| H10 | C14 | N01 | H25 | 176.3° | 119.9° |
| H11 | C14 | C15 | H12 | 170.8° | 175.1° |
| H11 | C14 | N01 | H25 | 55.6° | 120.0° |
| H12 | C15 | C18 | H19 | 126.8° | 65.7° |
| H12 | C15 | C18 | H20 | 113.8° | 174.3° |
| H13 | C16 | H14 | H15 | 120.0° | 120.0° |
| H16 | C17 | H17 | H18 | 120.0° | 120.0° |
| H21 | C20 | C21 | H22 | 0.5° | 0.1° |
| H23 | C23 | C24 | H24 | 0.2° | 0.5° |
