T56
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O19 | N18 | sing | 1.42Å | 1.42Å | |
| O01 | C02 | doub | 1.22Å | 1.18Å | |
| C02 | N18 | sing | 1.35Å | 1.46Å | |
| C02 | C03 | sing | 1.46Å | 1.53Å | |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.42Å | Aromatic |
| O16 | C15 | sing | 1.35Å | 1.38Å | Aromatic |
| O16 | C17 | sing | 1.35Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C04 | C03 | doub | 1.35Å | 1.32Å | |
| C04 | C05 | sing | 1.47Å | 1.53Å | |
| C15 | C10 | doub | 1.40Å | 1.37Å | Aromatic |
| C17 | C05 | doub | 1.41Å | 1.43Å | Aromatic |
| C17 | C09 | sing | 1.40Å | 1.37Å | Aromatic |
| C05 | C06 | sing | 1.40Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.48Å | 1.46Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C09 | C08 | doub | 1.39Å | 1.41Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| C07 | H4 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| N18 | H10 | sing | 0.97Å | 1.00Å | |
| O19 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O19 | N18 | C02 | 125.5° | 120.0° |
| O19 | N18 | H10 | 117.2° | 120.0° |
| N18 | O19 | H11 | 109.5° | 114.0° |
| O01 | C02 | N18 | 119.3° | 120.0° |
| O01 | C02 | C03 | 121.7° | 120.0° |
| N18 | C02 | C03 | 119.0° | 120.0° |
| C02 | N18 | H10 | 117.2° | 120.0° |
| C02 | C03 | C04 | 120.8° | 120.0° |
| C02 | C03 | H1 | 119.6° | 119.9° |
| C13 | C14 | C15 | 120.0° | 120.1° |
| C14 | C13 | C12 | 119.9° | 120.6° |
| C14 | C13 | H8 | 120.0° | 119.7° |
| C13 | C14 | H9 | 120.0° | 120.0° |
| C14 | C15 | O16 | 131.8° | 132.4° |
| C14 | C15 | C10 | 120.1° | 119.2° |
| C15 | C14 | H9 | 120.0° | 119.9° |
| C15 | O16 | C17 | 110.0° | 111.6° |
| O16 | C15 | C10 | 108.1° | 108.4° |
| O16 | C17 | C05 | 131.8° | 132.4° |
| O16 | C17 | C09 | 107.7° | 108.6° |
| C13 | C12 | C11 | 120.1° | 120.1° |
| C13 | C12 | H7 | 119.9° | 120.0° |
| C12 | C13 | H8 | 120.0° | 119.7° |
| C03 | C04 | C05 | 121.7° | 120.0° |
| C04 | C03 | H1 | 119.6° | 120.0° |
| C03 | C04 | H2 | 119.2° | 120.0° |
| C04 | C05 | C17 | 120.2° | 120.1° |
| C04 | C05 | C06 | 120.0° | 120.2° |
| C05 | C04 | H2 | 119.1° | 120.0° |
| C15 | C10 | C09 | 107.0° | 105.7° |
| C15 | C10 | C11 | 119.9° | 120.2° |
| C05 | C17 | C09 | 120.5° | 119.0° |
| C17 | C05 | C06 | 119.8° | 119.7° |
| C17 | C09 | C10 | 107.2° | 105.7° |
| C17 | C09 | C08 | 119.3° | 120.4° |
| C05 | C06 | C07 | 119.5° | 120.4° |
| C05 | C06 | H3 | 120.3° | 119.8° |
| C12 | C11 | C10 | 120.0° | 119.7° |
| C12 | C11 | H6 | 120.0° | 120.1° |
| C11 | C12 | H7 | 120.0° | 119.9° |
| C09 | C10 | C11 | 133.1° | 134.1° |
| C10 | C09 | C08 | 133.5° | 133.9° |
| C10 | C11 | H6 | 120.0° | 120.1° |
| C09 | C08 | C07 | 120.0° | 120.1° |
| C09 | C08 | H5 | 120.0° | 120.0° |
| C06 | C07 | C08 | 121.1° | 120.4° |
| C07 | C06 | H3 | 120.3° | 119.8° |
| C06 | C07 | H4 | 119.5° | 119.8° |
| C08 | C07 | H4 | 119.4° | 119.8° |
| C07 | C08 | H5 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O19 | N18 | C02 | O01 | 0.8° | 0.3° |
| O19 | N18 | C02 | H10 | 180.0° | 180.0° |
| O19 | N18 | C02 | C03 | 179.4° | 180.0° |
| O01 | C02 | N18 | C03 | 178.7° | 179.6° |
| O01 | C02 | C03 | C04 | 48.2° | 0.4° |
| O01 | C02 | C03 | H1 | 131.8° | 179.7° |
| O01 | C02 | N18 | H10 | 179.2° | 179.7° |
| N18 | C02 | C03 | C04 | 130.4° | 180.0° |
| N18 | C02 | C03 | H1 | 49.6° | 0.1° |
| C02 | N18 | O19 | H11 | 0.3° | 180.0° |
| C02 | C03 | C04 | H1 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 178.2° | 180.0° |
| C02 | C03 | C04 | H2 | 1.8° | 0.1° |
| C03 | C02 | N18 | H10 | 0.5° | 0.1° |
| C13 | C14 | C15 | H9 | 180.0° | 179.9° |
| C13 | C14 | C15 | O16 | 179.8° | 180.0° |
| C14 | C13 | C12 | H8 | 180.0° | 180.0° |
| C13 | C14 | C15 | C10 | 0.2° | 0.0° |
| C14 | C13 | C12 | C11 | 0.0° | 0.0° |
| C14 | C13 | C12 | H7 | 179.9° | 180.0° |
| C14 | C15 | O16 | C10 | 180.0° | 179.9° |
| C14 | C15 | O16 | C17 | 179.9° | 179.6° |
| C15 | C14 | C13 | C12 | 0.1° | 0.0° |
| C14 | C15 | C10 | C09 | 179.9° | 179.9° |
| C14 | C15 | C10 | C11 | 0.1° | 0.0° |
| C15 | C14 | C13 | H8 | 179.9° | 180.0° |
| C15 | O16 | C17 | C05 | 179.8° | 179.5° |
| C15 | O16 | C17 | C09 | 0.1° | 0.4° |
| O16 | C15 | C10 | C09 | 0.1° | 0.0° |
| O16 | C15 | C10 | C11 | 179.9° | 180.0° |
| O16 | C15 | C14 | H9 | 0.2° | 0.1° |
| O16 | C17 | C05 | C04 | 1.0° | 0.7° |
| C17 | O16 | C15 | C10 | 0.1° | 0.3° |
| O16 | C17 | C05 | C09 | 179.6° | 179.0° |
| O16 | C17 | C05 | C06 | 179.9° | 179.5° |
| O16 | C17 | C09 | C10 | 0.1° | 0.4° |
| O16 | C17 | C09 | C08 | 179.9° | 179.8° |
| C13 | C12 | C11 | H7 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 0.1° | 0.0° |
| C13 | C12 | C11 | H6 | 179.9° | 180.0° |
| C12 | C13 | C14 | H9 | 179.9° | 180.0° |
| C03 | C04 | C05 | H2 | 180.0° | 180.0° |
| C03 | C04 | C05 | C17 | 148.2° | 179.8° |
| C03 | C04 | C05 | C06 | 30.7° | 0.0° |
| C04 | C05 | C17 | C06 | 178.9° | 179.8° |
| C04 | C05 | C17 | C09 | 179.4° | 179.7° |
| C04 | C05 | C06 | C07 | 179.5° | 180.0° |
| C05 | C04 | C03 | H1 | 1.7° | 0.0° |
| C04 | C05 | C06 | H3 | 0.5° | 0.0° |
| C15 | C10 | C09 | C17 | 0.0° | 0.2° |
| C15 | C10 | C11 | C12 | 0.0° | 0.0° |
| C15 | C10 | C09 | C11 | 179.9° | 180.0° |
| C15 | C10 | C09 | C08 | 179.9° | 180.0° |
| C15 | C10 | C11 | H6 | 180.0° | 180.0° |
| C10 | C15 | C14 | H9 | 179.8° | 180.0° |
| C05 | C17 | C09 | C10 | 179.8° | 179.6° |
| C05 | C17 | C09 | C08 | 0.1° | 0.6° |
| C17 | C05 | C06 | C07 | 0.6° | 0.3° |
| C17 | C05 | C04 | H2 | 31.8° | 0.3° |
| C17 | C05 | C06 | H3 | 179.4° | 179.7° |
| C09 | C17 | C05 | C06 | 0.5° | 0.6° |
| C17 | C09 | C10 | C08 | 179.9° | 179.8° |
| C17 | C09 | C10 | C11 | 179.9° | 179.7° |
| C17 | C09 | C08 | C07 | 0.0° | 0.3° |
| C17 | C09 | C08 | H5 | 179.9° | 179.7° |
| C05 | C06 | C07 | H3 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 0.4° | 0.0° |
| C06 | C05 | C04 | H2 | 149.3° | 180.0° |
| C05 | C06 | C07 | H4 | 179.6° | 180.0° |
| C12 | C11 | C10 | C09 | 179.9° | 179.9° |
| C12 | C11 | C10 | H6 | 180.0° | 180.0° |
| C11 | C12 | C13 | H8 | 180.0° | 180.0° |
| C10 | C09 | C08 | C07 | 180.0° | 179.9° |
| C10 | C09 | C08 | H5 | 0.0° | 0.1° |
| C09 | C10 | C11 | H6 | 0.1° | 0.1° |
| C11 | C10 | C09 | C08 | 0.0° | 0.1° |
| C10 | C11 | C12 | H7 | 179.9° | 180.0° |
| C09 | C08 | C07 | C06 | 0.1° | 0.0° |
| C09 | C08 | C07 | H5 | 180.0° | 180.0° |
| C09 | C08 | C07 | H4 | 179.9° | 180.0° |
| C06 | C07 | C08 | H4 | 180.0° | 180.0° |
| C06 | C07 | C08 | H5 | 179.9° | 180.0° |
| C08 | C07 | C06 | H3 | 179.6° | 180.0° |
| H1 | C03 | C04 | H2 | 178.2° | 180.0° |
| H3 | C06 | C07 | H4 | 0.4° | 0.0° |
| H4 | C07 | C08 | H5 | 0.1° | 0.0° |
| H6 | C11 | C12 | H7 | 0.1° | 0.0° |
| H7 | C12 | C13 | H8 | 0.1° | 0.0° |
| H8 | C13 | C14 | H9 | 0.1° | 0.0° |
| H10 | N18 | O19 | H11 | 179.6° | 0.0° |
