DTC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C10 | sing | 1.36Å | 1.42Å | |
| O5 | C6 | sing | 1.35Å | 1.43Å | |
| C10 | C9 | doub | 1.40Å | 1.46Å | Aromatic |
| C10 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| C9 | C8 | sing | 1.48Å | 1.42Å | |
| C9 | C1 | sing | 1.40Å | 1.42Å | Aromatic |
| C8 | O17 | doub | 1.21Å | 1.40Å | |
| C8 | C7 | sing | 1.52Å | 1.44Å | |
| C7 | C15 | sing | 1.53Å | 1.57Å | |
| C7 | C6 | sing | 1.52Å | 1.45Å | |
| C7 | HC7 | sing | 1.09Å | 1.10Å | |
| C15 | C13 | sing | 1.53Å | 1.42Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C6 | O16 | doub | 1.21Å | 1.40Å | |
| C1 | C2 | doub | 1.38Å | 1.42Å | Aromatic |
| C1 | HC1 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | sing | 1.39Å | 1.42Å | Aromatic |
| C2 | HC2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.38Å | 1.43Å | Aromatic |
| C3 | HC3 | sing | 1.08Å | 1.08Å | |
| C4 | HC4 | sing | 1.08Å | 1.08Å | |
| C5 | C20 | doub | 1.40Å | 1.44Å | Aromatic |
| C5 | C16 | sing | 1.38Å | 1.43Å | Aromatic |
| C5 | HC5 | sing | 1.08Å | 1.08Å | |
| C20 | C19 | sing | 1.40Å | 1.43Å | Aromatic |
| C20 | C14 | sing | 1.47Å | 1.44Å | |
| C19 | C18 | doub | 1.39Å | 1.43Å | Aromatic |
| C19 | O21 | sing | 1.36Å | 1.44Å | |
| C18 | C17 | sing | 1.38Å | 1.43Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | C16 | doub | 1.39Å | 1.43Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| O21 | C12 | sing | 1.35Å | 1.43Å | |
| C12 | O32 | doub | 1.21Å | 1.41Å | |
| C12 | C13 | sing | 1.52Å | 1.42Å | |
| C13 | C14 | sing | 1.52Å | 1.55Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | O38 | doub | 1.21Å | 1.38Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | O5 | C6 | 121.0° | 118.1° |
| O5 | C10 | C9 | 119.9° | 121.2° |
| O5 | C10 | C4 | 120.1° | 119.6° |
| O5 | C6 | C7 | 119.9° | 117.9° |
| O5 | C6 | O16 | 118.5° | 121.1° |
| C9 | C10 | C4 | 120.0° | 119.2° |
| C10 | C9 | C8 | 118.8° | 119.6° |
| C10 | C9 | C1 | 118.6° | 120.1° |
| C10 | C4 | C3 | 120.6° | 120.1° |
| C10 | C4 | HC4 | 119.7° | 119.9° |
| C8 | C9 | C1 | 122.6° | 120.2° |
| C9 | C8 | O17 | 119.7° | 121.8° |
| C9 | C8 | C7 | 121.5° | 116.4° |
| C9 | C1 | C2 | 120.8° | 119.7° |
| C9 | C1 | HC1 | 119.6° | 120.2° |
| O17 | C8 | C7 | 118.7° | 121.8° |
| C8 | C7 | C15 | 117.8° | 110.1° |
| C8 | C7 | C6 | 118.9° | 106.2° |
| C8 | C7 | HC7 | 126.6° | 110.1° |
| C15 | C7 | C6 | 123.1° | 110.1° |
| C15 | C7 | HC7 | 80.5° | 110.1° |
| C7 | C15 | C13 | 119.9° | 109.5° |
| C7 | C15 | H151 | 106.1° | 109.4° |
| C7 | C15 | H152 | 106.2° | 109.5° |
| C6 | C7 | HC7 | 69.7° | 110.2° |
| C7 | C6 | O16 | 121.7° | 121.1° |
| C13 | C15 | H151 | 106.1° | 109.5° |
| C13 | C15 | H152 | 106.1° | 109.5° |
| C15 | C13 | C12 | 118.7° | 110.1° |
| C15 | C13 | C14 | 123.5° | 110.1° |
| C15 | C13 | H13 | 73.1° | 110.1° |
| H151 | C15 | H152 | 112.6° | 109.5° |
| C2 | C1 | HC1 | 119.6° | 120.1° |
| C1 | C2 | C3 | 120.1° | 120.1° |
| C1 | C2 | HC2 | 119.9° | 119.9° |
| C3 | C2 | HC2 | 120.0° | 119.9° |
| C2 | C3 | C4 | 119.9° | 120.7° |
| C2 | C3 | HC3 | 120.1° | 119.7° |
| C4 | C3 | HC3 | 120.0° | 119.6° |
| C3 | C4 | HC4 | 119.7° | 120.0° |
| C20 | C5 | C16 | 121.1° | 119.7° |
| C20 | C5 | HC5 | 119.5° | 120.1° |
| C5 | C20 | C19 | 118.5° | 120.1° |
| C5 | C20 | C14 | 122.2° | 120.3° |
| C16 | C5 | HC5 | 119.5° | 120.1° |
| C5 | C16 | C17 | 119.6° | 120.1° |
| C5 | C16 | H16 | 120.2° | 119.9° |
| C19 | C20 | C14 | 119.2° | 119.6° |
| C20 | C19 | C18 | 120.6° | 119.2° |
| C20 | C19 | O21 | 120.4° | 121.2° |
| C20 | C14 | C13 | 119.9° | 116.5° |
| C20 | C14 | O38 | 119.3° | 121.8° |
| C18 | C19 | O21 | 118.7° | 119.6° |
| C19 | C18 | C17 | 120.1° | 120.2° |
| C19 | C18 | H18 | 119.9° | 119.9° |
| C19 | O21 | C12 | 122.5° | 118.0° |
| C17 | C18 | H18 | 119.9° | 119.9° |
| C18 | C17 | C16 | 119.6° | 120.6° |
| C18 | C17 | H17 | 120.2° | 119.7° |
| C16 | C17 | H17 | 120.2° | 119.7° |
| C17 | C16 | H16 | 120.2° | 119.9° |
| O21 | C12 | O32 | 118.7° | 121.1° |
| O21 | C12 | C13 | 120.4° | 117.9° |
| O32 | C12 | C13 | 120.9° | 121.0° |
| C12 | C13 | C14 | 117.5° | 106.1° |
| C12 | C13 | H13 | 121.6° | 110.2° |
| C14 | C13 | H13 | 83.0° | 110.2° |
| C13 | C14 | O38 | 120.7° | 121.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C10 | C9 | C4 | 179.7° | 179.9° |
| O5 | C10 | C9 | C8 | 0.7° | 1.1° |
| O5 | C10 | C9 | C1 | 179.8° | 179.2° |
| C10 | O5 | C6 | C7 | 1.1° | 44.7° |
| C10 | O5 | C6 | O16 | 179.8° | 135.2° |
| O5 | C10 | C4 | C3 | 179.5° | 179.5° |
| O5 | C10 | C4 | HC4 | 0.5° | 0.6° |
| C6 | O5 | C10 | C9 | 1.3° | 16.3° |
| C6 | O5 | C10 | C4 | 178.5° | 163.8° |
| O5 | C6 | C7 | C8 | 0.4° | 52.7° |
| O5 | C6 | C7 | C15 | 175.7° | 66.5° |
| O5 | C6 | C7 | O16 | 178.6° | 179.9° |
| O5 | C6 | C7 | HC7 | 121.1° | 171.9° |
| C10 | C9 | C8 | C1 | 179.5° | 179.7° |
| C10 | C9 | C8 | O17 | 179.6° | 166.3° |
| C10 | C9 | C8 | C7 | 0.1° | 13.6° |
| C10 | C9 | C1 | C2 | 0.8° | 0.5° |
| C10 | C9 | C1 | HC1 | 179.2° | 179.5° |
| C9 | C10 | C4 | C3 | 0.2° | 0.4° |
| C9 | C10 | C4 | HC4 | 179.8° | 179.5° |
| C4 | C10 | C9 | C8 | 179.1° | 179.0° |
| C4 | C10 | C9 | C1 | 0.5° | 0.7° |
| C10 | C4 | C3 | C2 | 0.6° | 0.0° |
| C10 | C4 | C3 | HC4 | 180.0° | 180.0° |
| C10 | C4 | C3 | HC3 | 179.4° | 180.0° |
| C9 | C8 | O17 | C7 | 179.6° | 179.9° |
| C9 | C8 | C7 | C15 | 175.4° | 83.7° |
| C9 | C8 | C7 | C6 | 0.2° | 35.5° |
| C9 | C8 | C7 | HC7 | 85.4° | 154.8° |
| C8 | C9 | C1 | C2 | 178.7° | 179.2° |
| C8 | C9 | C1 | HC1 | 1.3° | 0.8° |
| C1 | C9 | C8 | O17 | 0.1° | 13.4° |
| C1 | C9 | C8 | C7 | 179.5° | 166.7° |
| C9 | C1 | C2 | HC1 | 180.0° | 180.0° |
| C9 | C1 | C2 | C3 | 0.5° | 0.0° |
| C9 | C1 | C2 | HC2 | 179.5° | 180.0° |
| O17 | C8 | C7 | C15 | 4.1° | 96.4° |
| O17 | C8 | C7 | C6 | 179.8° | 144.5° |
| O17 | C8 | C7 | HC7 | 95.1° | 25.2° |
| C8 | C7 | C15 | C6 | 175.4° | 116.8° |
| C8 | C7 | C15 | HC7 | 126.5° | 121.5° |
| C8 | C7 | C6 | HC7 | 121.5° | 119.2° |
| C8 | C7 | C15 | C13 | 109.2° | 174.9° |
| C8 | C7 | C15 | H151 | 10.8° | 55.0° |
| C8 | C7 | C15 | H152 | 130.8° | 65.0° |
| C8 | C7 | C6 | O16 | 179.0° | 127.3° |
| C15 | C7 | C6 | HC7 | 63.2° | 121.6° |
| C7 | C15 | C13 | H151 | 120.0° | 119.9° |
| C7 | C15 | C13 | H152 | 120.0° | 120.0° |
| C7 | C15 | H151 | H152 | 115.7° | 120.0° |
| C15 | C7 | C6 | O16 | 5.7° | 113.6° |
| C7 | C15 | C13 | C12 | 161.6° | 65.1° |
| C7 | C15 | C13 | C14 | 24.9° | 178.3° |
| C7 | C15 | C13 | H13 | 44.3° | 56.6° |
| C6 | C7 | C15 | C13 | 75.4° | 68.3° |
| C6 | C7 | C15 | H151 | 164.6° | 171.7° |
| C6 | C7 | C15 | H152 | 44.6° | 51.7° |
| HC7 | C7 | C15 | C13 | 17.3° | 53.4° |
| HC7 | C7 | C15 | H151 | 137.3° | 66.6° |
| HC7 | C7 | C15 | H152 | 102.7° | 173.5° |
| HC7 | C7 | C6 | O16 | 57.5° | 8.1° |
| C13 | C15 | H151 | H152 | 115.7° | 120.1° |
| C15 | C13 | C14 | C20 | 177.8° | 83.6° |
| C15 | C13 | C12 | O21 | 177.5° | 66.5° |
| C15 | C13 | C12 | O32 | 0.3° | 113.4° |
| C15 | C13 | C12 | C14 | 173.9° | 119.1° |
| C15 | C13 | C12 | H13 | 87.0° | 121.6° |
| C15 | C13 | C14 | H13 | 64.3° | 121.6° |
| C15 | C13 | C14 | O38 | 0.6° | 96.4° |
| H151 | C15 | C13 | C12 | 78.4° | 175.0° |
| H151 | C15 | C13 | C14 | 95.1° | 58.3° |
| H151 | C15 | C13 | H13 | 164.3° | 63.4° |
| H152 | C15 | C13 | C12 | 41.6° | 55.0° |
| H152 | C15 | C13 | C14 | 145.0° | 61.7° |
| H152 | C15 | C13 | H13 | 75.7° | 176.6° |
| C1 | C2 | C3 | HC2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.2° |
| C1 | C2 | C3 | HC3 | 179.8° | 179.8° |
| HC1 | C1 | C2 | C3 | 179.5° | 180.0° |
| HC1 | C1 | C2 | HC2 | 0.5° | 0.0° |
| C2 | C3 | C4 | HC3 | 180.0° | 180.0° |
| C2 | C3 | C4 | HC4 | 179.4° | 180.0° |
| HC2 | C2 | C3 | C4 | 179.8° | 179.7° |
| HC2 | C2 | C3 | HC3 | 0.2° | 0.3° |
| HC3 | C3 | C4 | HC4 | 0.6° | 0.0° |
| C20 | C5 | C16 | HC5 | 180.0° | 179.7° |
| C5 | C20 | C19 | C14 | 177.7° | 179.6° |
| C5 | C20 | C19 | C18 | 5.6° | 0.8° |
| C5 | C20 | C19 | O21 | 178.4° | 178.7° |
| C20 | C5 | C16 | C17 | 3.9° | 0.1° |
| C20 | C5 | C16 | H16 | 176.1° | 180.0° |
| C5 | C20 | C14 | C13 | 179.6° | 166.5° |
| C5 | C20 | C14 | O38 | 1.9° | 13.5° |
| C16 | C5 | C20 | C19 | 0.7° | 0.5° |
| C16 | C5 | C20 | C14 | 178.3° | 179.1° |
| C5 | C16 | C17 | C18 | 0.9° | 0.3° |
| C5 | C16 | C17 | H16 | 180.0° | 179.9° |
| C5 | C16 | C17 | H17 | 179.1° | 179.8° |
| HC5 | C5 | C20 | C19 | 179.3° | 179.8° |
| HC5 | C5 | C20 | C14 | 1.6° | 0.7° |
| HC5 | C5 | C16 | C17 | 176.1° | 179.7° |
| HC5 | C5 | C16 | H16 | 3.9° | 0.3° |
| C20 | C19 | C18 | O21 | 172.9° | 179.5° |
| C20 | C19 | C18 | C17 | 8.7° | 0.5° |
| C20 | C19 | C18 | H18 | 171.3° | 179.5° |
| C20 | C19 | O21 | C12 | 0.1° | 16.8° |
| C19 | C20 | C14 | C13 | 2.8° | 13.9° |
| C19 | C20 | C14 | O38 | 175.7° | 166.1° |
| C14 | C20 | C19 | C18 | 172.1° | 178.8° |
| C14 | C20 | C19 | O21 | 0.7° | 1.7° |
| C20 | C14 | C13 | C12 | 4.3° | 35.5° |
| C20 | C14 | C13 | O38 | 178.4° | 180.0° |
| C20 | C14 | C13 | H13 | 117.9° | 154.7° |
| C19 | C18 | C17 | H18 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 5.3° | 0.0° |
| C19 | C18 | C17 | H17 | 174.6° | 179.9° |
| C18 | C19 | O21 | C12 | 172.9° | 163.7° |
| O21 | C19 | C18 | C17 | 178.4° | 179.0° |
| O21 | C19 | C18 | H18 | 1.6° | 1.0° |
| C19 | O21 | C12 | O32 | 176.2° | 135.1° |
| C19 | O21 | C12 | C13 | 1.7° | 44.9° |
| C18 | C17 | C16 | H17 | 180.0° | 179.9° |
| C18 | C17 | C16 | H16 | 179.1° | 179.7° |
| H18 | C18 | C17 | C16 | 174.7° | 179.9° |
| H18 | C18 | C17 | H17 | 5.3° | 0.0° |
| H17 | C17 | C16 | H16 | 0.9° | 0.2° |
| O21 | C12 | O32 | C13 | 177.9° | 180.0° |
| O21 | C12 | C13 | C14 | 3.7° | 52.6° |
| O21 | C12 | C13 | H13 | 95.5° | 171.9° |
| O32 | C12 | C13 | C14 | 174.2° | 127.5° |
| O32 | C12 | C13 | H13 | 86.6° | 8.2° |
| C12 | C13 | C14 | H13 | 122.1° | 119.3° |
| C12 | C13 | C14 | O38 | 174.2° | 144.5° |
| H13 | C13 | C14 | O38 | 63.7° | 25.3° |
