T8U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C6 | sing | 1.34Å | 1.40Å | |
| O24 | C9 | doub | 1.22Å | 1.21Å | |
| C23 | C15 | sing | 1.51Å | 1.54Å | |
| C6 | C1 | sing | 1.50Å | 1.52Å | |
| C6 | C5 | doub | 1.38Å | 1.33Å | |
| C9 | C5 | sing | 1.47Å | 1.51Å | |
| C9 | C10 | sing | 1.48Å | 1.52Å | |
| O20 | C16 | doub | 1.22Å | 1.19Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.47Å | 1.52Å | |
| C15 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.38Å | Aromatic |
| C16 | C14 | sing | 1.47Å | 1.38Å | |
| C16 | N18 | sing | 1.35Å | 1.32Å | |
| C14 | C13 | doub | 1.41Å | 1.38Å | Aromatic |
| C32 | N18 | sing | 1.46Å | 1.46Å | |
| C32 | C25 | sing | 1.51Å | 1.52Å | |
| C4 | O8 | doub | 1.21Å | 1.18Å | |
| C4 | C3 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| N18 | C19 | sing | 1.34Å | 1.35Å | |
| C11 | C12 | doub | 1.37Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | N17 | sing | 1.38Å | 1.33Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | N17 | sing | 1.34Å | 1.36Å | |
| C19 | O21 | doub | 1.22Å | 1.19Å | |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| N17 | C22 | sing | 1.46Å | 1.46Å | |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | F31 | sing | 1.35Å | 1.36Å | |
| C22 | H1 | sing | 1.09Å | 1.10Å | |
| C22 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C26 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.08Å | 1.08Å | |
| C29 | H19 | sing | 1.08Å | 1.08Å | |
| C30 | H20 | sing | 1.08Å | 1.08Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| O7 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C6 | C1 | 117.5° | 118.7° |
| O7 | C6 | C5 | 121.0° | 118.7° |
| C6 | O7 | H23 | 109.5° | 117.0° |
| O24 | C9 | C5 | 118.7° | 120.0° |
| O24 | C9 | C10 | 114.8° | 120.0° |
| C23 | C15 | C10 | 115.5° | 120.4° |
| C23 | C15 | C14 | 124.3° | 120.4° |
| C15 | C23 | H15 | 109.5° | 109.5° |
| C15 | C23 | H16 | 109.5° | 109.5° |
| C15 | C23 | H17 | 109.5° | 109.5° |
| C1 | C6 | C5 | 121.2° | 122.6° |
| C6 | C1 | C2 | 113.0° | 111.1° |
| C6 | C1 | H5 | 108.6° | 109.2° |
| C6 | C1 | H6 | 108.6° | 109.1° |
| C6 | C5 | C9 | 120.0° | 120.0° |
| C6 | C5 | C4 | 119.8° | 120.0° |
| C5 | C9 | C10 | 126.4° | 120.0° |
| C9 | C5 | C4 | 119.5° | 119.9° |
| C9 | C10 | C15 | 120.0° | 119.9° |
| C9 | C10 | C11 | 118.9° | 120.0° |
| O20 | C16 | C14 | 124.2° | 120.9° |
| O20 | C16 | N18 | 114.6° | 120.9° |
| C1 | C2 | C3 | 112.3° | 109.2° |
| C2 | C1 | H5 | 108.6° | 109.1° |
| C2 | C1 | H6 | 108.6° | 109.1° |
| C1 | C2 | H7 | 108.7° | 109.5° |
| C1 | C2 | H8 | 108.8° | 109.5° |
| C5 | C4 | O8 | 120.3° | 121.2° |
| C5 | C4 | C3 | 118.6° | 117.6° |
| C10 | C15 | C14 | 120.2° | 119.2° |
| C15 | C10 | C11 | 120.9° | 120.1° |
| C15 | C14 | C16 | 124.2° | 121.7° |
| C15 | C14 | C13 | 118.3° | 120.1° |
| C10 | C11 | C12 | 118.9° | 120.6° |
| C10 | C11 | H13 | 120.5° | 119.7° |
| C14 | C16 | N18 | 121.2° | 118.2° |
| C16 | C14 | C13 | 117.5° | 118.2° |
| C16 | N18 | C32 | 116.2° | 119.4° |
| C16 | N18 | C19 | 120.5° | 121.2° |
| C14 | C13 | C12 | 120.7° | 119.8° |
| C14 | C13 | N17 | 120.6° | 118.7° |
| N18 | C32 | C25 | 120.0° | 109.5° |
| C32 | N18 | C19 | 123.2° | 119.4° |
| N18 | C32 | H21 | 106.8° | 109.5° |
| N18 | C32 | H22 | 106.8° | 109.5° |
| C32 | C25 | C26 | 118.6° | 119.9° |
| C32 | C25 | C30 | 120.7° | 120.0° |
| C25 | C32 | H21 | 106.8° | 109.5° |
| C25 | C32 | H22 | 106.8° | 109.5° |
| O8 | C4 | C3 | 121.1° | 121.2° |
| C4 | C3 | C2 | 111.2° | 107.5° |
| C4 | C3 | H9 | 109.0° | 109.8° |
| C4 | C3 | H10 | 109.0° | 109.8° |
| C3 | C2 | H7 | 108.8° | 109.5° |
| C3 | C2 | H8 | 108.7° | 109.5° |
| C2 | C3 | H9 | 109.0° | 109.9° |
| C2 | C3 | H10 | 109.0° | 109.9° |
| N18 | C19 | N17 | 119.3° | 122.9° |
| N18 | C19 | O21 | 120.7° | 118.6° |
| C11 | C12 | C13 | 120.8° | 120.1° |
| C12 | C11 | H13 | 120.5° | 119.7° |
| C11 | C12 | H14 | 119.6° | 120.0° |
| C12 | C13 | N17 | 118.6° | 121.5° |
| C13 | C12 | H14 | 119.6° | 119.9° |
| C13 | N17 | C19 | 120.8° | 120.7° |
| C13 | N17 | C22 | 120.2° | 119.6° |
| C26 | C25 | C30 | 120.6° | 120.1° |
| C25 | C26 | C27 | 119.9° | 120.0° |
| C25 | C26 | H4 | 120.0° | 120.0° |
| C25 | C30 | C29 | 119.4° | 120.0° |
| C25 | C30 | H20 | 120.3° | 120.0° |
| N17 | C19 | O21 | 120.0° | 118.5° |
| C19 | N17 | C22 | 118.9° | 119.7° |
| C26 | C27 | C28 | 119.7° | 119.9° |
| C27 | C26 | H4 | 120.0° | 119.9° |
| C26 | C27 | H18 | 120.2° | 120.0° |
| C30 | C29 | C28 | 120.0° | 120.0° |
| C30 | C29 | H19 | 120.0° | 120.0° |
| C29 | C30 | H20 | 120.3° | 120.0° |
| N17 | C22 | H1 | 109.5° | 109.4° |
| N17 | C22 | H2 | 109.5° | 109.5° |
| N17 | C22 | H3 | 109.5° | 109.5° |
| C27 | C28 | C29 | 120.3° | 120.0° |
| C27 | C28 | F31 | 119.6° | 120.0° |
| C28 | C27 | H18 | 120.2° | 120.1° |
| C29 | C28 | F31 | 120.1° | 120.0° |
| C28 | C29 | H19 | 120.0° | 120.0° |
| H1 | C22 | H2 | 109.4° | 109.4° |
| H1 | C22 | H3 | 109.5° | 109.5° |
| H2 | C22 | H3 | 109.5° | 109.5° |
| H5 | C1 | H6 | 109.5° | 109.2° |
| H7 | C2 | H8 | 109.5° | 109.5° |
| H9 | C3 | H10 | 109.5° | 109.9° |
| H15 | C23 | H16 | 109.5° | 109.4° |
| H15 | C23 | H17 | 109.5° | 109.5° |
| H16 | C23 | H17 | 109.4° | 109.5° |
| H21 | C32 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C6 | C1 | C5 | 174.0° | 179.9° |
| O7 | C6 | C5 | C9 | 3.4° | 0.6° |
| O7 | C6 | C1 | C2 | 159.2° | 157.9° |
| O7 | C6 | C5 | C4 | 167.1° | 179.4° |
| O7 | C6 | C1 | H5 | 80.3° | 37.5° |
| O7 | C6 | C1 | H6 | 38.7° | 81.7° |
| O24 | C9 | C5 | C6 | 5.2° | 66.1° |
| O24 | C9 | C5 | C10 | 176.0° | 179.9° |
| O24 | C9 | C5 | C4 | 165.4° | 114.0° |
| O24 | C9 | C10 | C15 | 78.6° | 5.5° |
| O24 | C9 | C10 | C11 | 96.2° | 174.8° |
| C23 | C15 | C10 | C9 | 4.5° | 0.3° |
| C23 | C15 | C10 | C14 | 179.2° | 180.0° |
| C23 | C15 | C10 | C11 | 179.2° | 180.0° |
| C23 | C15 | C14 | C16 | 0.7° | 0.0° |
| C23 | C15 | C14 | C13 | 179.7° | 180.0° |
| C15 | C23 | H15 | H16 | 120.0° | 120.0° |
| C15 | C23 | H15 | H17 | 120.0° | 120.0° |
| C15 | C23 | H16 | H17 | 120.0° | 120.0° |
| C1 | C6 | C5 | C9 | 170.3° | 179.4° |
| C6 | C1 | C2 | H5 | 120.5° | 120.4° |
| C6 | C1 | C2 | H6 | 120.5° | 120.3° |
| C1 | C6 | C5 | C4 | 19.2° | 0.5° |
| C6 | C1 | C2 | C3 | 50.0° | 53.4° |
| C6 | C1 | H5 | H6 | 118.4° | 119.2° |
| C6 | C1 | C2 | H7 | 170.4° | 173.3° |
| C6 | C1 | C2 | H8 | 70.4° | 66.5° |
| C1 | C6 | O7 | H23 | 172.9° | 178.8° |
| C6 | C5 | C9 | C4 | 170.6° | 179.9° |
| C6 | C5 | C9 | C10 | 170.8° | 113.8° |
| C5 | C6 | C1 | C2 | 14.8° | 22.0° |
| C6 | C5 | C4 | O8 | 161.6° | 168.3° |
| C6 | C5 | C4 | C3 | 17.9° | 11.8° |
| C5 | C6 | C1 | H5 | 105.7° | 142.4° |
| C5 | C6 | C1 | H6 | 135.3° | 98.4° |
| C5 | C6 | O7 | H23 | 1.0° | 1.3° |
| C5 | C9 | C10 | C15 | 105.4° | 174.6° |
| C5 | C9 | C10 | C11 | 79.9° | 5.1° |
| C9 | C5 | C4 | O8 | 9.0° | 11.8° |
| C9 | C5 | C4 | C3 | 171.5° | 168.2° |
| C10 | C9 | C5 | C4 | 18.7° | 66.1° |
| C9 | C10 | C15 | C11 | 174.7° | 179.7° |
| C9 | C10 | C15 | C14 | 176.3° | 179.7° |
| C9 | C10 | C11 | C12 | 175.9° | 179.7° |
| C9 | C10 | C11 | H13 | 4.0° | 0.4° |
| O20 | C16 | C14 | C15 | 1.5° | 0.1° |
| O20 | C16 | C14 | N18 | 178.2° | 179.9° |
| O20 | C16 | C14 | C13 | 179.5° | 180.0° |
| O20 | C16 | N18 | C32 | 2.5° | 0.1° |
| O20 | C16 | N18 | C19 | 179.9° | 180.0° |
| C1 | C2 | C3 | C4 | 49.8° | 63.2° |
| C1 | C2 | C3 | H7 | 120.4° | 119.9° |
| C1 | C2 | C3 | H8 | 120.4° | 119.9° |
| C2 | C1 | H5 | H6 | 118.4° | 119.2° |
| C1 | C2 | H7 | H8 | 118.7° | 120.1° |
| C1 | C2 | C3 | H9 | 170.1° | 56.3° |
| C1 | C2 | C3 | H10 | 70.5° | 177.2° |
| C5 | C4 | O8 | C3 | 179.5° | 180.0° |
| C5 | C4 | C3 | C2 | 17.3° | 42.7° |
| C5 | C4 | C3 | H9 | 137.6° | 76.8° |
| C5 | C4 | C3 | H10 | 102.9° | 162.2° |
| C10 | C15 | C14 | C16 | 179.9° | 179.9° |
| C10 | C15 | C14 | C13 | 1.2° | 0.0° |
| C15 | C10 | C11 | C12 | 1.2° | 0.0° |
| C15 | C10 | C11 | H13 | 178.8° | 180.0° |
| C10 | C15 | C23 | H15 | 89.7° | 86.3° |
| C10 | C15 | C23 | H16 | 150.3° | 153.7° |
| C10 | C15 | C23 | H17 | 30.4° | 33.7° |
| C14 | C15 | C10 | C11 | 1.6° | 0.0° |
| C15 | C14 | C16 | C13 | 179.0° | 179.9° |
| C15 | C14 | C16 | N18 | 179.7° | 180.0° |
| C15 | C14 | C13 | C12 | 0.4° | 0.0° |
| C15 | C14 | C13 | N17 | 179.9° | 180.0° |
| C14 | C15 | C23 | H15 | 89.5° | 93.7° |
| C14 | C15 | C23 | H16 | 30.5° | 26.2° |
| C14 | C15 | C23 | H17 | 150.5° | 146.2° |
| C10 | C11 | C12 | H13 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.4° | 0.0° |
| C10 | C11 | C12 | H14 | 179.6° | 180.0° |
| C14 | C16 | N18 | C32 | 179.1° | 180.0° |
| C14 | C16 | N18 | C19 | 1.8° | 0.1° |
| C16 | C14 | C13 | C12 | 179.4° | 179.9° |
| C16 | C14 | C13 | N17 | 0.8° | 0.0° |
| N18 | C16 | C14 | C13 | 1.3° | 0.1° |
| C16 | N18 | C32 | C19 | 177.3° | 179.9° |
| C16 | N18 | C32 | C25 | 129.0° | 90.0° |
| C16 | N18 | C19 | N17 | 1.7° | 0.1° |
| C16 | N18 | C19 | O21 | 179.0° | 180.0° |
| C16 | N18 | C32 | H21 | 109.5° | 30.0° |
| C16 | N18 | C32 | H22 | 7.5° | 150.0° |
| C14 | C13 | C12 | C11 | 0.0° | 0.0° |
| C14 | C13 | C12 | N17 | 179.8° | 180.0° |
| C14 | C13 | N17 | C19 | 0.8° | 0.0° |
| C14 | C13 | N17 | C22 | 180.0° | 179.9° |
| C14 | C13 | C12 | H14 | 180.0° | 180.0° |
| N18 | C32 | C25 | H21 | 121.5° | 120.0° |
| N18 | C32 | C25 | H22 | 121.5° | 120.0° |
| N18 | C32 | C25 | C26 | 108.4° | 90.0° |
| N18 | C32 | C25 | C30 | 74.0° | 90.0° |
| C32 | N18 | C19 | N17 | 178.8° | 180.0° |
| C32 | N18 | C19 | O21 | 1.9° | 0.1° |
| N18 | C32 | H21 | H22 | 115.2° | 120.0° |
| C25 | C32 | N18 | C19 | 53.7° | 90.1° |
| C32 | C25 | C26 | C30 | 177.6° | 180.0° |
| C32 | C25 | C26 | C27 | 178.9° | 180.0° |
| C32 | C25 | C30 | C29 | 178.8° | 180.0° |
| C32 | C25 | C26 | H4 | 1.1° | 0.2° |
| C32 | C25 | C30 | H20 | 1.2° | 0.0° |
| C25 | C32 | H21 | H22 | 115.3° | 120.0° |
| O8 | C4 | C3 | C2 | 163.2° | 137.3° |
| O8 | C4 | C3 | H9 | 42.9° | 103.1° |
| O8 | C4 | C3 | H10 | 76.5° | 17.8° |
| C4 | C3 | C2 | H9 | 120.3° | 119.5° |
| C4 | C3 | C2 | H10 | 120.3° | 119.5° |
| C4 | C3 | C2 | H7 | 170.2° | 176.8° |
| C4 | C3 | C2 | H8 | 70.6° | 56.7° |
| C4 | C3 | H9 | H10 | 119.2° | 120.9° |
| C3 | C2 | C1 | H5 | 70.5° | 173.8° |
| C3 | C2 | C1 | H6 | 170.5° | 66.9° |
| C3 | C2 | H7 | H8 | 118.7° | 120.1° |
| C2 | C3 | H9 | H10 | 119.2° | 121.0° |
| N18 | C19 | N17 | C13 | 1.2° | 0.1° |
| N18 | C19 | N17 | O21 | 179.3° | 179.9° |
| N18 | C19 | N17 | C22 | 179.5° | 179.9° |
| C19 | N18 | C32 | H21 | 67.7° | 149.9° |
| C19 | N18 | C32 | H22 | 175.2° | 29.9° |
| C11 | C12 | C13 | H14 | 180.0° | 180.0° |
| C11 | C12 | C13 | N17 | 179.8° | 180.0° |
| C12 | C13 | N17 | C19 | 179.4° | 180.0° |
| C12 | C13 | N17 | C22 | 0.2° | 0.1° |
| C13 | C12 | C11 | H13 | 179.6° | 180.0° |
| C13 | N17 | C19 | C22 | 179.3° | 180.0° |
| C13 | N17 | C19 | O21 | 179.5° | 179.9° |
| C13 | N17 | C22 | H1 | 180.0° | 90.1° |
| C13 | N17 | C22 | H2 | 60.0° | 150.0° |
| C13 | N17 | C22 | H3 | 60.0° | 29.9° |
| N17 | C13 | C12 | H14 | 0.2° | 0.0° |
| C25 | C26 | C27 | H4 | 180.0° | 179.8° |
| C26 | C25 | C30 | C29 | 1.3° | 0.1° |
| C25 | C26 | C27 | C28 | 0.6° | 0.3° |
| C25 | C26 | C27 | H18 | 179.4° | 179.7° |
| C26 | C25 | C30 | H20 | 178.7° | 180.0° |
| C26 | C25 | C32 | H21 | 13.1° | 150.0° |
| C26 | C25 | C32 | H22 | 130.1° | 30.0° |
| C30 | C25 | C26 | C27 | 1.3° | 0.0° |
| C25 | C30 | C29 | H20 | 180.0° | 179.9° |
| C25 | C30 | C29 | C28 | 0.5° | 0.4° |
| C30 | C25 | C26 | H4 | 178.7° | 179.8° |
| C25 | C30 | C29 | H19 | 179.5° | 179.7° |
| C30 | C25 | C32 | H21 | 164.5° | 30.0° |
| C30 | C25 | C32 | H22 | 47.5° | 150.0° |
| C19 | N17 | C22 | H1 | 0.7° | 90.0° |
| C19 | N17 | C22 | H2 | 120.7° | 30.0° |
| C19 | N17 | C22 | H3 | 119.3° | 150.0° |
| O21 | C19 | N17 | C22 | 0.2° | 0.0° |
| C26 | C27 | C28 | H18 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.1° | 0.5° |
| C26 | C27 | C28 | F31 | 179.9° | 180.0° |
| C30 | C29 | C28 | C27 | 0.2° | 0.6° |
| C30 | C29 | C28 | H19 | 180.0° | 179.9° |
| C30 | C29 | C28 | F31 | 179.8° | 180.0° |
| N17 | C22 | H1 | H2 | 120.0° | 120.0° |
| N17 | C22 | H1 | H3 | 120.0° | 120.0° |
| N17 | C22 | H2 | H3 | 120.0° | 120.1° |
| C27 | C28 | C29 | F31 | 180.0° | 179.4° |
| C28 | C27 | C26 | H4 | 179.3° | 180.0° |
| C27 | C28 | C29 | H19 | 179.8° | 179.5° |
| C29 | C28 | C27 | H18 | 179.9° | 179.5° |
| C28 | C29 | C30 | H20 | 179.5° | 179.7° |
| F31 | C28 | C27 | H18 | 0.1° | 0.0° |
| F31 | C28 | C29 | H19 | 0.2° | 0.0° |
| H1 | C22 | H2 | H3 | 120.0° | 120.0° |
| H4 | C26 | C27 | H18 | 0.7° | 0.0° |
| H5 | C1 | C2 | H7 | 49.9° | 66.3° |
| H5 | C1 | C2 | H8 | 169.1° | 53.9° |
| H6 | C1 | C2 | H7 | 69.1° | 53.0° |
| H6 | C1 | C2 | H8 | 50.1° | 173.1° |
| H7 | C2 | C3 | H9 | 69.5° | 63.7° |
| H7 | C2 | C3 | H10 | 49.9° | 57.3° |
| H8 | C2 | C3 | H9 | 49.6° | 176.2° |
| H8 | C2 | C3 | H10 | 169.1° | 62.8° |
| H13 | C11 | C12 | H14 | 0.4° | 0.0° |
| H15 | C23 | H16 | H17 | 120.0° | 119.9° |
| H19 | C29 | C30 | H20 | 0.5° | 0.2° |
