R9T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | O22 | sing | 1.43Å | 1.40Å | |
| O22 | C14 | sing | 1.36Å | 1.41Å | |
| O23 | C25 | sing | 1.43Å | 1.40Å | |
| O23 | C15 | sing | 1.36Å | 1.41Å | |
| C14 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.54Å | |
| C1 | N10 | sing | 1.47Å | 1.48Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| N10 | C9 | sing | 1.47Å | 1.47Å | |
| C9 | C11 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.51Å | 1.57Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C8 | C3 | doub | 1.38Å | 1.32Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.44Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.45Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | O19 | sing | 1.36Å | 1.40Å | |
| C21 | O19 | sing | 1.43Å | 1.40Å | |
| C5 | O18 | sing | 1.36Å | 1.40Å | |
| O18 | C20 | sing | 1.43Å | 1.41Å | |
| N10 | H1 | sing | 1.01Å | 1.00Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.08Å | 1.08Å | |
| C4 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | O22 | C14 | 115.5° | 117.0° |
| O22 | C24 | H21 | 109.5° | 109.4° |
| O22 | C24 | H22 | 109.5° | 109.5° |
| O22 | C24 | H23 | 109.5° | 109.4° |
| O22 | C14 | C15 | 116.6° | 120.1° |
| O22 | C14 | C13 | 122.4° | 120.1° |
| C25 | O23 | C15 | 116.1° | 117.0° |
| O23 | C25 | H24 | 109.5° | 109.5° |
| O23 | C25 | H25 | 109.5° | 109.5° |
| O23 | C25 | H26 | 109.4° | 109.5° |
| O23 | C15 | C14 | 117.1° | 120.1° |
| O23 | C15 | C16 | 123.0° | 120.0° |
| C15 | C14 | C13 | 120.9° | 119.8° |
| C14 | C15 | C16 | 119.9° | 119.9° |
| C14 | C13 | C12 | 119.8° | 120.0° |
| C14 | C13 | H12 | 120.1° | 119.9° |
| C15 | C16 | C17 | 119.4° | 120.0° |
| C15 | C16 | H14 | 120.3° | 120.0° |
| C13 | C12 | C17 | 119.2° | 120.1° |
| C13 | C12 | C11 | 120.9° | 119.9° |
| C12 | C13 | H12 | 120.1° | 120.0° |
| C16 | C17 | C12 | 120.8° | 120.1° |
| C16 | C17 | H13 | 119.6° | 119.9° |
| C17 | C16 | H14 | 120.3° | 120.0° |
| C17 | C12 | C11 | 119.9° | 119.9° |
| C12 | C17 | H13 | 119.6° | 119.9° |
| C12 | C11 | C9 | 110.8° | 109.5° |
| C12 | C11 | H8 | 109.2° | 109.4° |
| C12 | C11 | H9 | 109.2° | 109.5° |
| N10 | C1 | C2 | 113.3° | 108.5° |
| C1 | N10 | C9 | 110.5° | 110.2° |
| C1 | N10 | H1 | 109.2° | 111.0° |
| N10 | C1 | H6 | 108.5° | 109.6° |
| N10 | C1 | H7 | 108.5° | 109.6° |
| C1 | C2 | C3 | 113.4° | 110.0° |
| C1 | C2 | H4 | 108.5° | 109.4° |
| C1 | C2 | H5 | 108.5° | 109.3° |
| C2 | C1 | H6 | 108.5° | 109.6° |
| C2 | C1 | H7 | 108.5° | 109.6° |
| N10 | C9 | C11 | 108.8° | 109.3° |
| N10 | C9 | C8 | 112.5° | 110.5° |
| C9 | N10 | H1 | 109.2° | 111.0° |
| N10 | C9 | H3 | 108.2° | 109.3° |
| C11 | C9 | C8 | 112.5° | 109.3° |
| C11 | C9 | H3 | 107.6° | 109.2° |
| C9 | C11 | H8 | 109.1° | 109.5° |
| C9 | C11 | H9 | 109.1° | 109.5° |
| C9 | C8 | C3 | 122.0° | 121.8° |
| C9 | C8 | C7 | 118.3° | 118.3° |
| C8 | C9 | H3 | 107.0° | 109.3° |
| C2 | C3 | C8 | 122.2° | 121.6° |
| C2 | C3 | C4 | 117.1° | 118.4° |
| C3 | C2 | H4 | 108.5° | 109.4° |
| C3 | C2 | H5 | 108.5° | 109.4° |
| C3 | C8 | C7 | 119.6° | 119.8° |
| C8 | C3 | C4 | 120.7° | 120.0° |
| C8 | C7 | C6 | 120.0° | 120.4° |
| C8 | C7 | H10 | 120.0° | 119.8° |
| C3 | C4 | C5 | 119.2° | 120.4° |
| C3 | C4 | H11 | 120.4° | 119.8° |
| C7 | C6 | C5 | 120.4° | 119.7° |
| C7 | C6 | O19 | 120.8° | 120.2° |
| C6 | C7 | H10 | 120.0° | 119.8° |
| C4 | C5 | C6 | 120.1° | 119.7° |
| C4 | C5 | O18 | 121.3° | 120.1° |
| C5 | C4 | H11 | 120.4° | 119.8° |
| C5 | C6 | O19 | 118.8° | 120.1° |
| C6 | C5 | O18 | 118.6° | 120.2° |
| C6 | O19 | C21 | 116.1° | 117.0° |
| O19 | C21 | H15 | 109.5° | 109.5° |
| O19 | C21 | H16 | 109.5° | 109.4° |
| O19 | C21 | H17 | 109.5° | 109.5° |
| C5 | O18 | C20 | 116.8° | 117.0° |
| O18 | C20 | H18 | 109.5° | 109.5° |
| O18 | C20 | H19 | 109.5° | 109.5° |
| O18 | C20 | H20 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.4° |
| H6 | C1 | H7 | 109.5° | 109.8° |
| H8 | C11 | H9 | 109.4° | 109.5° |
| H15 | C21 | H16 | 109.5° | 109.5° |
| H15 | C21 | H17 | 109.5° | 109.5° |
| H16 | C21 | H17 | 109.5° | 109.5° |
| H18 | C20 | H19 | 109.5° | 109.5° |
| H18 | C20 | H20 | 109.5° | 109.5° |
| H19 | C20 | H20 | 109.4° | 109.4° |
| H21 | C24 | H22 | 109.5° | 109.5° |
| H21 | C24 | H23 | 109.4° | 109.5° |
| H22 | C24 | H23 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.4° | 109.4° |
| H24 | C25 | H26 | 109.5° | 109.4° |
| H25 | C25 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | O22 | C14 | C15 | 176.4° | 180.0° |
| C24 | O22 | C14 | C13 | 4.2° | 0.0° |
| O22 | C24 | H21 | H22 | 120.0° | 120.0° |
| O22 | C24 | H21 | H23 | 120.0° | 120.0° |
| O22 | C24 | H22 | H23 | 120.0° | 120.0° |
| O22 | C14 | C15 | O23 | 0.8° | 0.0° |
| O22 | C14 | C15 | C13 | 179.4° | 180.0° |
| O22 | C14 | C15 | C16 | 179.8° | 179.7° |
| O22 | C14 | C13 | C12 | 179.8° | 180.0° |
| O22 | C14 | C13 | H12 | 0.2° | 0.0° |
| C14 | O22 | C24 | H21 | 180.0° | 180.0° |
| C14 | O22 | C24 | H22 | 60.0° | 60.0° |
| C14 | O22 | C24 | H23 | 60.0° | 60.0° |
| C25 | O23 | C15 | C14 | 150.9° | 180.0° |
| C25 | O23 | C15 | C16 | 29.7° | 0.3° |
| O23 | C25 | H24 | H25 | 120.0° | 120.1° |
| O23 | C25 | H24 | H26 | 120.0° | 120.0° |
| O23 | C25 | H25 | H26 | 120.0° | 120.0° |
| O23 | C15 | C14 | C16 | 179.4° | 179.7° |
| O23 | C15 | C14 | C13 | 179.8° | 180.0° |
| O23 | C15 | C16 | C17 | 179.4° | 179.8° |
| O23 | C15 | C16 | H14 | 0.7° | 0.2° |
| C15 | O23 | C25 | H24 | 180.0° | 180.0° |
| C15 | O23 | C25 | H25 | 60.0° | 60.0° |
| C15 | O23 | C25 | H26 | 60.0° | 60.1° |
| C15 | C14 | C13 | C12 | 0.8° | 0.0° |
| C14 | C15 | C16 | C17 | 0.0° | 0.5° |
| C15 | C14 | C13 | H12 | 179.2° | 180.0° |
| C14 | C15 | C16 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.4° | 0.3° |
| C14 | C13 | C12 | H12 | 180.0° | 180.0° |
| C14 | C13 | C12 | C17 | 0.8° | 0.0° |
| C14 | C13 | C12 | C11 | 179.4° | 179.7° |
| C15 | C16 | C17 | H14 | 180.0° | 179.5° |
| C15 | C16 | C17 | C12 | 0.0° | 0.5° |
| C15 | C16 | C17 | H13 | 180.0° | 179.5° |
| C13 | C12 | C17 | C16 | 0.4° | 0.2° |
| C13 | C12 | C17 | C11 | 178.6° | 179.7° |
| C13 | C12 | C11 | C9 | 62.4° | 89.7° |
| C13 | C12 | C11 | H8 | 177.4° | 150.3° |
| C13 | C12 | C11 | H9 | 57.8° | 30.3° |
| C13 | C12 | C17 | H13 | 179.6° | 179.8° |
| C16 | C17 | C12 | H13 | 180.0° | 180.0° |
| C16 | C17 | C12 | C11 | 179.0° | 180.0° |
| C17 | C12 | C11 | C9 | 119.0° | 90.0° |
| C17 | C12 | C11 | H8 | 1.2° | 30.0° |
| C17 | C12 | C11 | H9 | 120.8° | 150.0° |
| C17 | C12 | C13 | H12 | 179.2° | 180.0° |
| C12 | C17 | C16 | H14 | 180.0° | 180.0° |
| C12 | C11 | C9 | N10 | 70.8° | 65.0° |
| C12 | C11 | C9 | H8 | 120.2° | 120.0° |
| C12 | C11 | C9 | H9 | 120.2° | 120.0° |
| C12 | C11 | C9 | C8 | 163.8° | 174.0° |
| C12 | C11 | C9 | H3 | 46.2° | 54.5° |
| C12 | C11 | H8 | H9 | 119.4° | 120.0° |
| C11 | C12 | C13 | H12 | 0.6° | 0.3° |
| C11 | C12 | C17 | H13 | 1.0° | 0.0° |
| N10 | C1 | C2 | H6 | 120.6° | 119.7° |
| N10 | C1 | C2 | H7 | 120.6° | 119.7° |
| C1 | N10 | C9 | H1 | 120.1° | 123.5° |
| C1 | N10 | C9 | C11 | 173.4° | 172.8° |
| C1 | N10 | C9 | C8 | 48.1° | 52.6° |
| N10 | C1 | C2 | C3 | 39.6° | 50.4° |
| C1 | N10 | C9 | H3 | 69.9° | 67.7° |
| N10 | C1 | C2 | H4 | 160.2° | 69.8° |
| N10 | C1 | C2 | H5 | 81.0° | 170.5° |
| N10 | C1 | H6 | H7 | 118.2° | 120.5° |
| C2 | C1 | N10 | C9 | 59.3° | 71.3° |
| C1 | C2 | C3 | H4 | 120.6° | 120.1° |
| C1 | C2 | C3 | H5 | 120.6° | 120.0° |
| C1 | C2 | C3 | C8 | 10.5° | 17.0° |
| C1 | C2 | C3 | C4 | 170.0° | 163.3° |
| C2 | C1 | N10 | H1 | 60.9° | 52.2° |
| C1 | C2 | H4 | H5 | 118.2° | 119.6° |
| C2 | C1 | H6 | H7 | 118.3° | 120.5° |
| N10 | C9 | C11 | C8 | 125.4° | 121.0° |
| N10 | C9 | C11 | H3 | 117.0° | 119.5° |
| N10 | C9 | C8 | H3 | 118.7° | 120.3° |
| N10 | C9 | C8 | C3 | 20.3° | 17.6° |
| N10 | C9 | C8 | C7 | 160.7° | 162.5° |
| C9 | N10 | C1 | H6 | 61.3° | 48.4° |
| C9 | N10 | C1 | H7 | 179.9° | 169.0° |
| N10 | C9 | C11 | H8 | 49.4° | 175.0° |
| N10 | C9 | C11 | H9 | 168.9° | 55.0° |
| C11 | C9 | C8 | H3 | 118.0° | 119.5° |
| C11 | C9 | C8 | C3 | 143.7° | 137.9° |
| C11 | C9 | C8 | C7 | 37.4° | 42.2° |
| C11 | C9 | N10 | H1 | 53.3° | 49.4° |
| C9 | C11 | H8 | H9 | 119.4° | 120.0° |
| C9 | C8 | C3 | C2 | 1.2° | 0.6° |
| C9 | C8 | C3 | C7 | 178.9° | 179.9° |
| C9 | C8 | C3 | C4 | 179.4° | 179.7° |
| C9 | C8 | C7 | C6 | 178.7° | 179.8° |
| C8 | C9 | N10 | H1 | 72.1° | 70.9° |
| C8 | C9 | C11 | H8 | 76.0° | 54.0° |
| C8 | C9 | C11 | H9 | 43.6° | 66.0° |
| C9 | C8 | C7 | H10 | 1.3° | 0.2° |
| C2 | C3 | C8 | C4 | 179.4° | 179.7° |
| C2 | C3 | C8 | C7 | 179.9° | 179.5° |
| C2 | C3 | C4 | C5 | 179.6° | 179.6° |
| C3 | C2 | H4 | H5 | 118.2° | 119.8° |
| C3 | C2 | C1 | H6 | 81.0° | 69.2° |
| C3 | C2 | C1 | H7 | 160.2° | 170.1° |
| C2 | C3 | C4 | H11 | 0.4° | 0.4° |
| C3 | C8 | C7 | C6 | 0.3° | 0.1° |
| C8 | C3 | C4 | C5 | 1.0° | 0.1° |
| C3 | C8 | C9 | H3 | 98.3° | 102.6° |
| C8 | C3 | C2 | H4 | 131.1° | 103.1° |
| C8 | C3 | C2 | H5 | 110.1° | 137.0° |
| C3 | C8 | C7 | H10 | 179.7° | 179.9° |
| C8 | C3 | C4 | H11 | 179.0° | 179.9° |
| C7 | C8 | C3 | C4 | 0.5° | 0.2° |
| C8 | C7 | C6 | H10 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 0.6° | 0.0° |
| C8 | C7 | C6 | O19 | 179.9° | 180.0° |
| C7 | C8 | C9 | H3 | 80.6° | 77.3° |
| C3 | C4 | C5 | H11 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.6° | 0.1° |
| C3 | C4 | C5 | O18 | 179.6° | 180.0° |
| C4 | C3 | C2 | H4 | 49.5° | 76.6° |
| C4 | C3 | C2 | H5 | 69.4° | 43.3° |
| C7 | C6 | C5 | C4 | 0.2° | 0.1° |
| C7 | C6 | C5 | O19 | 179.4° | 180.0° |
| C7 | C6 | O19 | C21 | 6.1° | 0.0° |
| C7 | C6 | C5 | O18 | 179.7° | 179.9° |
| C4 | C5 | C6 | O18 | 179.8° | 179.9° |
| C4 | C5 | C6 | O19 | 179.6° | 179.9° |
| C4 | C5 | O18 | C20 | 24.1° | 0.0° |
| C5 | C6 | O19 | C21 | 173.4° | 180.0° |
| C6 | C5 | O18 | C20 | 156.1° | 180.0° |
| C5 | C6 | C7 | H10 | 179.4° | 179.9° |
| C6 | C5 | C4 | H11 | 179.4° | 180.0° |
| O19 | C6 | C5 | O18 | 0.2° | 0.0° |
| O19 | C6 | C7 | H10 | 0.1° | 0.0° |
| C6 | O19 | C21 | H15 | 180.0° | 60.0° |
| C6 | O19 | C21 | H16 | 60.0° | 60.0° |
| C6 | O19 | C21 | H17 | 60.0° | 180.0° |
| O19 | C21 | H15 | H16 | 120.0° | 120.0° |
| O19 | C21 | H15 | H17 | 120.0° | 120.0° |
| O19 | C21 | H16 | H17 | 120.0° | 120.0° |
| O18 | C5 | C4 | H11 | 0.5° | 0.0° |
| C5 | O18 | C20 | H18 | 180.0° | 60.0° |
| C5 | O18 | C20 | H19 | 60.0° | 180.0° |
| C5 | O18 | C20 | H20 | 60.0° | 60.0° |
| O18 | C20 | H18 | H19 | 120.0° | 120.0° |
| O18 | C20 | H18 | H20 | 120.0° | 120.1° |
| O18 | C20 | H19 | H20 | 120.0° | 120.0° |
| H1 | N10 | C9 | H3 | 169.9° | 168.8° |
| H1 | N10 | C1 | H6 | 178.6° | 171.8° |
| H1 | N10 | C1 | H7 | 59.7° | 67.5° |
| H3 | C9 | C11 | H8 | 166.4° | 65.5° |
| H3 | C9 | C11 | H9 | 74.1° | 174.5° |
| H4 | C2 | C1 | H6 | 39.6° | 170.6° |
| H4 | C2 | C1 | H7 | 79.2° | 50.0° |
| H5 | C2 | C1 | H6 | 158.4° | 50.9° |
| H5 | C2 | C1 | H7 | 39.6° | 69.8° |
| H13 | C17 | C16 | H14 | 0.1° | 0.1° |
| H15 | C21 | H16 | H17 | 120.0° | 120.0° |
| H18 | C20 | H19 | H20 | 120.0° | 120.0° |
| H21 | C24 | H22 | H23 | 119.9° | 120.1° |
| H24 | C25 | H25 | H26 | 120.0° | 119.9° |
