T8E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C16 | sing | 1.51Å | 1.52Å | |
| C16 | O18 | doub | 1.21Å | 1.23Å | |
| C16 | C13 | sing | 1.47Å | 1.40Å | |
| C14 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.37Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.38Å | Aromatic |
| C15 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C11 | doub | 1.37Å | 1.39Å | Aromatic |
| S03 | C02 | sing | 1.81Å | 1.80Å | |
| C10 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | N09 | sing | 1.39Å | 1.38Å | |
| N09 | C07 | sing | 1.35Å | 1.38Å | |
| C07 | O08 | doub | 1.21Å | 1.24Å | |
| C07 | C02 | sing | 1.51Å | 1.54Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| N09 | H12 | sing | 0.97Å | 1.00Å | |
| S03 | H13 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C16 | O18 | 119.6° | 120.0° |
| C17 | C16 | C13 | 117.5° | 120.0° |
| C16 | C17 | H2 | 109.5° | 109.5° |
| C16 | C17 | H3 | 109.4° | 109.5° |
| C16 | C17 | H4 | 109.5° | 109.4° |
| O18 | C16 | C13 | 122.9° | 120.0° |
| C16 | C13 | C14 | 121.6° | 120.1° |
| C16 | C13 | C12 | 120.2° | 120.1° |
| C13 | C14 | C15 | 119.7° | 119.9° |
| C14 | C13 | C12 | 118.3° | 119.8° |
| C13 | C14 | H11 | 120.1° | 120.1° |
| C14 | C15 | C10 | 122.6° | 120.1° |
| C14 | C15 | H1 | 118.7° | 120.0° |
| C15 | C14 | H11 | 120.2° | 120.0° |
| C13 | C12 | C11 | 121.6° | 119.9° |
| C13 | C12 | H10 | 119.2° | 120.1° |
| C15 | C10 | C11 | 116.3° | 120.2° |
| C15 | C10 | N09 | 117.9° | 119.9° |
| C10 | C15 | H1 | 118.7° | 119.9° |
| C12 | C11 | C10 | 121.6° | 120.1° |
| C12 | C11 | H9 | 119.2° | 119.9° |
| C11 | C12 | H10 | 119.2° | 120.0° |
| S03 | C02 | C07 | 112.9° | 109.5° |
| S03 | C02 | C01 | 108.8° | 109.5° |
| S03 | C02 | H8 | 105.9° | 109.5° |
| C02 | S03 | H13 | 102.0° | 103.0° |
| C11 | C10 | N09 | 125.9° | 119.9° |
| C10 | C11 | H9 | 119.2° | 120.0° |
| C10 | N09 | C07 | 124.2° | 120.0° |
| C10 | N09 | H12 | 117.9° | 120.0° |
| N09 | C07 | O08 | 125.8° | 120.0° |
| N09 | C07 | C02 | 114.7° | 120.0° |
| C07 | N09 | H12 | 117.9° | 119.9° |
| O08 | C07 | C02 | 119.4° | 120.0° |
| C07 | C02 | C01 | 111.6° | 109.4° |
| C07 | C02 | H8 | 108.6° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.4° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C01 | C02 | H8 | 108.7° | 109.5° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H2 | C17 | H4 | 109.4° | 109.4° |
| H3 | C17 | H4 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.4° |
| H5 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H7 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C16 | O18 | C13 | 179.7° | 180.0° |
| C17 | C16 | C13 | C14 | 14.1° | 0.5° |
| C17 | C16 | C13 | C12 | 166.6° | 180.0° |
| C16 | C17 | H2 | H3 | 120.0° | 120.1° |
| C16 | C17 | H2 | H4 | 120.0° | 119.9° |
| C16 | C17 | H3 | H4 | 120.0° | 120.0° |
| O18 | C16 | C13 | C14 | 165.6° | 179.5° |
| O18 | C16 | C13 | C12 | 13.7° | 0.0° |
| O18 | C16 | C17 | H2 | 0.0° | 89.9° |
| O18 | C16 | C17 | H3 | 120.0° | 150.0° |
| O18 | C16 | C17 | H4 | 120.0° | 30.0° |
| C16 | C13 | C14 | C12 | 179.3° | 179.5° |
| C16 | C13 | C14 | C15 | 179.5° | 179.8° |
| C16 | C13 | C12 | C11 | 179.7° | 180.0° |
| C13 | C16 | C17 | H2 | 179.7° | 90.1° |
| C13 | C16 | C17 | H3 | 60.3° | 30.0° |
| C13 | C16 | C17 | H4 | 59.7° | 150.0° |
| C16 | C13 | C12 | H10 | 0.3° | 0.5° |
| C16 | C13 | C14 | H11 | 0.4° | 0.6° |
| C13 | C14 | C15 | H11 | 180.0° | 179.2° |
| C13 | C14 | C15 | C10 | 0.2° | 0.5° |
| C14 | C13 | C12 | C11 | 0.4° | 0.5° |
| C13 | C14 | C15 | H1 | 179.8° | 179.6° |
| C14 | C13 | C12 | H10 | 179.6° | 180.0° |
| C15 | C14 | C13 | C12 | 0.3° | 0.7° |
| C14 | C15 | C10 | H1 | 180.0° | 179.9° |
| C14 | C15 | C10 | C11 | 0.4° | 0.1° |
| C14 | C15 | C10 | N09 | 178.5° | 179.7° |
| C13 | C12 | C11 | H10 | 180.0° | 179.6° |
| C13 | C12 | C11 | C10 | 0.2° | 0.0° |
| C13 | C12 | C11 | H9 | 179.9° | 180.0° |
| C12 | C13 | C14 | H11 | 179.7° | 179.9° |
| C15 | C10 | C11 | C12 | 0.2° | 0.2° |
| C15 | C10 | C11 | N09 | 178.8° | 179.8° |
| C15 | C10 | N09 | C07 | 156.4° | 33.8° |
| C15 | C10 | C11 | H9 | 179.7° | 179.8° |
| C10 | C15 | C14 | H11 | 179.9° | 179.7° |
| C15 | C10 | N09 | H12 | 23.6° | 146.2° |
| C12 | C11 | C10 | H9 | 180.0° | 180.0° |
| C12 | C11 | C10 | N09 | 178.6° | 180.0° |
| S03 | C02 | C07 | N09 | 99.1° | 94.9° |
| S03 | C02 | C07 | O08 | 82.9° | 85.0° |
| S03 | C02 | C07 | C01 | 123.0° | 120.0° |
| S03 | C02 | C07 | H8 | 117.2° | 120.0° |
| S03 | C02 | C01 | H8 | 114.9° | 120.0° |
| S03 | C02 | C01 | H5 | 180.0° | 179.9° |
| S03 | C02 | C01 | H6 | 60.0° | 60.0° |
| S03 | C02 | C01 | H7 | 60.0° | 60.0° |
| C11 | C10 | N09 | C07 | 22.4° | 146.5° |
| C11 | C10 | C15 | H1 | 179.6° | 180.0° |
| C10 | C11 | C12 | H10 | 179.8° | 179.6° |
| C11 | C10 | N09 | H12 | 157.6° | 33.5° |
| C10 | N09 | C07 | H12 | 180.0° | 180.0° |
| C10 | N09 | C07 | O08 | 4.7° | 5.3° |
| C10 | N09 | C07 | C02 | 177.4° | 174.7° |
| N09 | C10 | C15 | H1 | 1.5° | 0.2° |
| N09 | C10 | C11 | H9 | 1.4° | 0.0° |
| N09 | C07 | O08 | C02 | 177.8° | 179.9° |
| N09 | C07 | C02 | C01 | 138.0° | 145.0° |
| N09 | C07 | C02 | H8 | 18.1° | 25.1° |
| O08 | C07 | C02 | C01 | 40.0° | 35.0° |
| O08 | C07 | C02 | H8 | 159.9° | 155.0° |
| O08 | C07 | N09 | H12 | 175.3° | 174.7° |
| C07 | C02 | C01 | H8 | 119.8° | 119.9° |
| C07 | C02 | C01 | H5 | 54.7° | 60.0° |
| C07 | C02 | C01 | H6 | 174.7° | 180.0° |
| C07 | C02 | C01 | H7 | 65.3° | 60.0° |
| C02 | C07 | N09 | H12 | 2.6° | 5.3° |
| C07 | C02 | S03 | H13 | 180.0° | 60.1° |
| C02 | C01 | H5 | H6 | 120.0° | 119.9° |
| C02 | C01 | H5 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C01 | C02 | S03 | H13 | 55.5° | 59.9° |
| H1 | C15 | C14 | H11 | 0.2° | 0.4° |
| H2 | C17 | H3 | H4 | 120.0° | 120.0° |
| H5 | C01 | H6 | H7 | 120.0° | 120.1° |
| H5 | C01 | C02 | H8 | 65.1° | 59.9° |
| H6 | C01 | C02 | H8 | 54.9° | 60.0° |
| H7 | C01 | C02 | H8 | 174.8° | 180.0° |
| H8 | C02 | S03 | H13 | 61.2° | 179.9° |
| H9 | C11 | C12 | H10 | 0.2° | 0.4° |
