A1IY7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | sing | 1.36Å | 1.40Å | |
| C03 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.40Å | 1.39Å | Aromatic |
| N06 | C05 | sing | 1.35Å | 1.32Å | Aromatic |
| N07 | N06 | sing | 1.40Å | 1.34Å | Aromatic |
| C08 | N07 | doub | 1.32Å | 1.35Å | Aromatic |
| C09 | C08 | sing | 1.41Å | 1.42Å | Aromatic |
| C10 | C09 | doub | 1.36Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.36Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.41Å | 1.42Å | Aromatic |
| C05 | C04 | sing | 1.48Å | 1.53Å | |
| C14 | C04 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.53Å | |
| C02 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C05 | C13 | doub | 1.40Å | 1.45Å | Aromatic |
| C08 | C13 | sing | 1.47Å | 1.38Å | Aromatic |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C09 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| N06 | H3 | sing | 0.97Å | 1.00Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 120.0° | 120.0° |
| O01 | C02 | C16 | 119.9° | 120.0° |
| C02 | O01 | H1 | 109.5° | 113.9° |
| C02 | C03 | C04 | 120.1° | 119.8° |
| C03 | C02 | C16 | 120.1° | 120.0° |
| C02 | C03 | H2 | 119.9° | 120.1° |
| C03 | C04 | C05 | 121.3° | 120.1° |
| C03 | C04 | C14 | 119.6° | 119.7° |
| C04 | C03 | H2 | 119.9° | 120.2° |
| C05 | N06 | N07 | 108.9° | 109.9° |
| N06 | C05 | C04 | 124.5° | 126.2° |
| N06 | C05 | C13 | 107.8° | 107.5° |
| C05 | N06 | H3 | 125.5° | 125.1° |
| N06 | N07 | C08 | 111.0° | 109.3° |
| N07 | N06 | H3 | 125.6° | 125.1° |
| N07 | C08 | C09 | 132.3° | 134.5° |
| N07 | C08 | C13 | 107.3° | 106.9° |
| C08 | C09 | C10 | 120.0° | 119.6° |
| C09 | C08 | C13 | 120.4° | 118.5° |
| C08 | C09 | H4 | 120.0° | 120.2° |
| C09 | C10 | C11 | 119.8° | 121.8° |
| C09 | C10 | H5 | 120.1° | 119.1° |
| C10 | C09 | H4 | 120.0° | 120.3° |
| C10 | C11 | C12 | 120.2° | 121.7° |
| C11 | C10 | H5 | 120.1° | 119.2° |
| C10 | C11 | H6 | 119.9° | 119.2° |
| C11 | C12 | C13 | 120.2° | 119.5° |
| C12 | C11 | H6 | 119.9° | 119.1° |
| C11 | C12 | H7 | 119.9° | 120.3° |
| C12 | C13 | C05 | 135.6° | 134.8° |
| C12 | C13 | C08 | 119.4° | 118.9° |
| C13 | C12 | H7 | 119.9° | 120.2° |
| C05 | C04 | C14 | 119.1° | 120.1° |
| C04 | C05 | C13 | 127.8° | 126.3° |
| C04 | C14 | C15 | 120.4° | 120.0° |
| C04 | C14 | H8 | 119.8° | 120.0° |
| C14 | C15 | C16 | 119.9° | 120.2° |
| C14 | C15 | H9 | 120.0° | 119.9° |
| C15 | C14 | H8 | 119.8° | 120.0° |
| C15 | C16 | C17 | 119.9° | 119.8° |
| C15 | C16 | C02 | 119.9° | 120.3° |
| C16 | C15 | H9 | 120.0° | 119.9° |
| C17 | C16 | C02 | 120.2° | 119.9° |
| C16 | C17 | H11 | 109.5° | 109.5° |
| C16 | C17 | H12 | 109.4° | 109.5° |
| C16 | C17 | H10 | 109.5° | 109.5° |
| C05 | C13 | C08 | 105.0° | 106.4° |
| H11 | C17 | H12 | 109.5° | 109.5° |
| H11 | C17 | H10 | 109.5° | 109.5° |
| H12 | C17 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | C16 | 180.0° | 179.9° |
| O01 | C02 | C03 | C04 | 179.9° | 179.8° |
| O01 | C02 | C16 | C15 | 180.0° | 180.0° |
| O01 | C02 | C16 | C17 | 0.0° | 0.1° |
| O01 | C02 | C03 | H2 | 0.1° | 0.1° |
| C02 | C03 | C04 | H2 | 180.0° | 179.7° |
| C02 | C03 | C04 | C05 | 180.0° | 179.9° |
| C02 | C03 | C04 | C14 | 0.2° | 0.5° |
| C03 | C02 | C16 | C15 | 0.0° | 0.1° |
| C03 | C02 | C16 | C17 | 180.0° | 180.0° |
| C03 | C02 | O01 | H1 | 180.0° | 90.0° |
| C03 | C04 | C05 | N06 | 154.4° | 45.0° |
| C03 | C04 | C05 | C14 | 179.8° | 179.5° |
| C03 | C04 | C14 | C15 | 0.2° | 0.5° |
| C04 | C03 | C02 | C16 | 0.1° | 0.3° |
| C03 | C04 | C05 | C13 | 26.0° | 135.0° |
| C03 | C04 | C14 | H8 | 179.8° | 179.5° |
| C05 | N06 | N07 | H3 | 180.0° | 179.8° |
| C05 | N06 | N07 | C08 | 0.1° | 0.1° |
| N06 | C05 | C13 | C12 | 180.0° | 180.0° |
| N06 | C05 | C04 | C13 | 179.6° | 180.0° |
| N06 | C05 | C04 | C14 | 25.4° | 134.5° |
| N06 | C05 | C13 | C08 | 0.1° | 0.3° |
| N06 | N07 | C08 | C09 | 179.9° | 179.4° |
| N07 | N06 | C05 | C04 | 179.8° | 179.8° |
| N07 | N06 | C05 | C13 | 0.1° | 0.2° |
| N06 | N07 | C08 | C13 | 0.1° | 0.1° |
| N07 | C08 | C09 | C13 | 179.9° | 179.3° |
| N07 | C08 | C09 | C10 | 180.0° | 179.9° |
| N07 | C08 | C13 | C12 | 180.0° | 180.0° |
| N07 | C08 | C13 | C05 | 0.0° | 0.2° |
| N07 | C08 | C09 | H4 | 0.1° | 0.2° |
| C08 | N07 | N06 | H3 | 179.8° | 179.9° |
| C08 | C09 | C10 | H4 | 180.0° | 179.9° |
| C08 | C09 | C10 | C11 | 0.0° | 0.3° |
| C09 | C08 | C13 | C12 | 0.1° | 0.5° |
| C09 | C08 | C13 | C05 | 179.9° | 179.7° |
| C08 | C09 | C10 | H5 | 180.0° | 180.0° |
| C09 | C10 | C11 | H5 | 180.0° | 179.7° |
| C09 | C10 | C11 | C12 | 0.0° | 0.0° |
| C10 | C09 | C08 | C13 | 0.1° | 0.6° |
| C09 | C10 | C11 | H6 | 180.0° | 180.0° |
| C10 | C11 | C12 | H6 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.0° |
| C11 | C10 | C09 | H4 | 180.0° | 179.8° |
| C10 | C11 | C12 | H7 | 179.9° | 179.8° |
| C11 | C12 | C13 | H7 | 180.0° | 179.8° |
| C11 | C12 | C13 | C05 | 179.9° | 180.0° |
| C11 | C12 | C13 | C08 | 0.0° | 0.2° |
| C12 | C11 | C10 | H5 | 180.0° | 179.7° |
| C12 | C13 | C05 | C04 | 0.3° | 0.0° |
| C12 | C13 | C05 | C08 | 179.9° | 179.7° |
| C13 | C12 | C11 | H6 | 180.0° | 180.0° |
| C05 | C04 | C14 | C15 | 180.0° | 180.0° |
| C04 | C05 | C13 | C08 | 179.8° | 179.8° |
| C05 | C04 | C03 | H2 | 0.0° | 0.3° |
| C05 | C04 | C14 | H8 | 0.0° | 0.0° |
| C04 | C05 | N06 | H3 | 0.1° | 0.0° |
| C04 | C14 | C15 | H8 | 180.0° | 180.0° |
| C04 | C14 | C15 | C16 | 0.1° | 0.3° |
| C14 | C04 | C05 | C13 | 154.2° | 45.5° |
| C04 | C14 | C15 | H9 | 179.9° | 180.0° |
| C14 | C04 | C03 | H2 | 179.8° | 179.8° |
| C14 | C15 | C16 | H9 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 180.0° | 180.0° |
| C14 | C15 | C16 | C02 | 0.0° | 0.1° |
| C15 | C16 | C17 | C02 | 179.9° | 179.9° |
| C15 | C16 | C17 | H11 | 90.0° | 90.0° |
| C15 | C16 | C17 | H12 | 150.0° | 30.0° |
| C15 | C16 | C17 | H10 | 30.0° | 150.0° |
| C16 | C15 | C14 | H8 | 179.9° | 179.7° |
| C17 | C16 | C15 | H9 | 0.0° | 0.3° |
| C16 | C17 | H11 | H12 | 120.0° | 120.0° |
| C16 | C17 | H11 | H10 | 120.0° | 120.0° |
| C16 | C17 | H12 | H10 | 120.0° | 120.0° |
| C02 | C16 | C15 | H9 | 180.0° | 179.8° |
| C02 | C16 | C17 | H11 | 90.0° | 90.1° |
| C02 | C16 | C17 | H12 | 30.0° | 149.9° |
| C02 | C16 | C17 | H10 | 150.0° | 30.0° |
| C16 | C02 | C03 | H2 | 179.9° | 180.0° |
| C16 | C02 | O01 | H1 | 0.0° | 90.1° |
| C05 | C13 | C12 | H7 | 0.0° | 0.2° |
| C13 | C05 | N06 | H3 | 179.8° | 180.0° |
| C13 | C08 | C09 | H4 | 179.9° | 179.5° |
| C08 | C13 | C12 | H7 | 180.0° | 180.0° |
| H5 | C10 | C09 | H4 | 0.0° | 0.1° |
| H5 | C10 | C11 | H6 | 0.0° | 0.3° |
| H9 | C15 | C14 | H8 | 0.1° | 0.1° |
| H11 | C17 | H12 | H10 | 120.0° | 120.0° |
| H6 | C11 | C12 | H7 | 0.0° | 0.2° |
