7Y8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| N4 | C2 | sing | 1.47Å | 1.47Å | |
| C11 | C8 | sing | 1.51Å | 1.50Å | |
| C11 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | O16 | sing | 1.36Å | 1.37Å | |
| C8 | C2 | sing | 1.53Å | 1.58Å | |
| C8 | O10 | sing | 1.43Å | 1.21Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| N4 | H9 | sing | 1.01Å | 1.00Å | |
| N4 | H10 | sing | 1.01Å | 1.00Å | |
| O16 | H12 | sing | 0.97Å | 0.95Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| O10 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C13 | C14 | 119.8° | 120.1° |
| C13 | C12 | C11 | 120.8° | 120.1° |
| C13 | C12 | H5 | 119.6° | 120.0° |
| C12 | C13 | H6 | 120.1° | 120.0° |
| C13 | C14 | C15 | 118.0° | 119.9° |
| C14 | C13 | H6 | 120.1° | 119.9° |
| C13 | C14 | H7 | 121.0° | 120.0° |
| C12 | C11 | C8 | 119.1° | 120.0° |
| C12 | C11 | C17 | 120.5° | 120.1° |
| C11 | C12 | H5 | 119.6° | 119.9° |
| C14 | C15 | C17 | 122.4° | 119.9° |
| C14 | C15 | O16 | 119.8° | 120.0° |
| C15 | C14 | H7 | 121.0° | 120.1° |
| N4 | C2 | C8 | 106.9° | 109.5° |
| N4 | C2 | C1 | 106.1° | 109.4° |
| N4 | C2 | H4 | 110.7° | 109.5° |
| C2 | N4 | H9 | 109.5° | 111.0° |
| C2 | N4 | H10 | 109.5° | 111.0° |
| C8 | C11 | C17 | 120.4° | 119.9° |
| C11 | C8 | C2 | 115.7° | 109.4° |
| C11 | C8 | O10 | 121.8° | 109.5° |
| C11 | C8 | H13 | 91.2° | 109.5° |
| C11 | C17 | C15 | 118.4° | 119.9° |
| C11 | C17 | H8 | 120.8° | 120.1° |
| C17 | C15 | O16 | 117.7° | 120.1° |
| C15 | C17 | H8 | 120.8° | 120.0° |
| C15 | O16 | H12 | 109.5° | 114.0° |
| C2 | C8 | O10 | 122.3° | 109.5° |
| C8 | C2 | C1 | 113.6° | 109.5° |
| C8 | C2 | H4 | 109.3° | 109.5° |
| C2 | C8 | H13 | 91.2° | 109.5° |
| O10 | C8 | H13 | 91.6° | 109.5° |
| C8 | O10 | H11 | 109.5° | 114.0° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 110.1° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H9 | N4 | H10 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C13 | C14 | H6 | 180.0° | 179.9° |
| C13 | C12 | C11 | H5 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.5° | 0.0° |
| C13 | C12 | C11 | C8 | 178.2° | 180.0° |
| C13 | C12 | C11 | C17 | 0.4° | 0.2° |
| C12 | C13 | C14 | H7 | 179.6° | 179.9° |
| C14 | C13 | C12 | C11 | 0.6° | 0.1° |
| C13 | C14 | C15 | H7 | 180.0° | 179.9° |
| C13 | C14 | C15 | C17 | 0.0° | 0.3° |
| C13 | C14 | C15 | O16 | 179.1° | 180.0° |
| C14 | C13 | C12 | H5 | 179.3° | 180.0° |
| C12 | C11 | C8 | C17 | 177.8° | 179.8° |
| C12 | C11 | C17 | C15 | 0.0° | 0.5° |
| C12 | C11 | C8 | C2 | 122.5° | 85.2° |
| C12 | C11 | C8 | O10 | 53.0° | 34.7° |
| C11 | C12 | C13 | H6 | 179.4° | 180.0° |
| C12 | C11 | C17 | H8 | 180.0° | 179.7° |
| C12 | C11 | C8 | H13 | 145.6° | 154.8° |
| C14 | C15 | C17 | C11 | 0.2° | 0.6° |
| C14 | C15 | C17 | O16 | 179.0° | 179.7° |
| C15 | C14 | C13 | H6 | 179.6° | 180.0° |
| C14 | C15 | C17 | H8 | 179.8° | 179.7° |
| C14 | C15 | O16 | H12 | 180.0° | 89.9° |
| N4 | C2 | C8 | C11 | 80.7° | 55.0° |
| N4 | C2 | C8 | C1 | 116.7° | 120.0° |
| N4 | C2 | C8 | H4 | 119.9° | 120.1° |
| N4 | C2 | C8 | O10 | 94.7° | 65.0° |
| N4 | C2 | C1 | H4 | 119.9° | 120.0° |
| N4 | C2 | C1 | H1 | 180.0° | 60.0° |
| N4 | C2 | C1 | H2 | 60.0° | 60.0° |
| N4 | C2 | C1 | H3 | 60.0° | 180.0° |
| C2 | N4 | H9 | H10 | 120.0° | 124.0° |
| N4 | C2 | C8 | H13 | 172.7° | 175.0° |
| C8 | C11 | C17 | C15 | 177.8° | 179.7° |
| C11 | C8 | C2 | O10 | 175.4° | 120.0° |
| C11 | C8 | C2 | H13 | 92.0° | 120.0° |
| C11 | C8 | O10 | H13 | 92.4° | 120.0° |
| C11 | C8 | C2 | C1 | 162.5° | 175.0° |
| C11 | C8 | C2 | H4 | 39.2° | 65.1° |
| C8 | C11 | C12 | H5 | 1.7° | 0.0° |
| C8 | C11 | C17 | H8 | 2.2° | 0.0° |
| C11 | C8 | O10 | H11 | 180.0° | 60.0° |
| C11 | C17 | C15 | H8 | 180.0° | 179.8° |
| C11 | C17 | C15 | O16 | 178.8° | 179.8° |
| C17 | C11 | C8 | C2 | 55.4° | 95.0° |
| C17 | C11 | C8 | O10 | 129.2° | 145.0° |
| C17 | C11 | C12 | H5 | 179.6° | 179.8° |
| C17 | C11 | C8 | H13 | 36.5° | 25.0° |
| C17 | C15 | C14 | H7 | 180.0° | 179.8° |
| C17 | C15 | O16 | H12 | 1.0° | 89.8° |
| O16 | C15 | C14 | H7 | 1.0° | 0.1° |
| O16 | C15 | C17 | H8 | 1.2° | 0.0° |
| C2 | C8 | O10 | H13 | 92.4° | 120.0° |
| C8 | C2 | C1 | H4 | 122.9° | 120.0° |
| C8 | C2 | C1 | H1 | 62.8° | 60.0° |
| C8 | C2 | C1 | H2 | 57.2° | 180.0° |
| C8 | C2 | C1 | H3 | 177.1° | 60.0° |
| C8 | C2 | N4 | H9 | 180.0° | 176.0° |
| C8 | C2 | N4 | H10 | 60.0° | 60.0° |
| C2 | C8 | O10 | H11 | 4.8° | 60.0° |
| O10 | C8 | C2 | C1 | 22.0° | 55.0° |
| O10 | C8 | C2 | H4 | 145.4° | 175.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | N4 | H9 | 58.4° | 64.0° |
| C1 | C2 | N4 | H10 | 61.6° | 60.0° |
| C1 | C2 | C8 | H13 | 70.6° | 65.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 60.1° | 180.0° |
| H2 | C1 | C2 | H4 | 179.9° | 60.0° |
| H3 | C1 | C2 | H4 | 59.9° | 60.0° |
| H4 | C2 | N4 | H9 | 61.0° | 56.0° |
| H4 | C2 | N4 | H10 | 179.0° | 180.0° |
| H4 | C2 | C8 | H13 | 52.8° | 54.9° |
| H5 | C12 | C13 | H6 | 0.7° | 0.0° |
| H6 | C13 | C14 | H7 | 0.4° | 0.0° |
| H13 | C8 | O10 | H11 | 87.6° | 180.0° |
