88Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N15 | C8 | sing | 1.40Å | 1.41Å | |
| C12 | C10 | sing | 1.51Å | 1.47Å | |
| O16 | C11 | doub | 1.21Å | 1.22Å | |
| C10 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | N14 | sing | 1.35Å | 1.36Å | Aromatic |
| C11 | C13 | sing | 1.51Å | 1.50Å | |
| C11 | C7 | sing | 1.46Å | 1.44Å | |
| C7 | C5 | sing | 1.47Å | 1.42Å | Aromatic |
| N14 | C9 | sing | 1.37Å | 1.37Å | Aromatic |
| C8 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C9 | doub | 1.36Å | 1.38Å | Aromatic |
| C9 | C6 | sing | 1.48Å | 1.44Å | |
| C6 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| N14 | H12 | sing | 0.97Å | 1.00Å | |
| N15 | H13 | sing | 0.97Å | 1.00Å | |
| N15 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N15 | C8 | C6 | 121.9° | 120.2° |
| N15 | C8 | C4 | 119.5° | 120.1° |
| C8 | N15 | H13 | 109.5° | 120.0° |
| C8 | N15 | H14 | 109.5° | 120.0° |
| C12 | C10 | C7 | 133.1° | 125.8° |
| C12 | C10 | N14 | 119.6° | 125.8° |
| C10 | C12 | H9 | 109.5° | 109.5° |
| C10 | C12 | H10 | 109.5° | 109.4° |
| C10 | C12 | H11 | 109.5° | 109.5° |
| O16 | C11 | C13 | 120.4° | 120.0° |
| O16 | C11 | C7 | 122.9° | 120.1° |
| C7 | C10 | N14 | 107.3° | 108.4° |
| C10 | C7 | C11 | 127.0° | 126.9° |
| C10 | C7 | C5 | 106.4° | 106.1° |
| C10 | N14 | C9 | 111.3° | 110.4° |
| C10 | N14 | H12 | 124.3° | 124.8° |
| C13 | C11 | C7 | 116.7° | 120.0° |
| C11 | C13 | H3 | 109.5° | 109.5° |
| C11 | C13 | H4 | 109.5° | 109.5° |
| C11 | C13 | H5 | 109.5° | 109.4° |
| C11 | C7 | C5 | 126.5° | 127.0° |
| C7 | C5 | C9 | 108.8° | 106.3° |
| C7 | C5 | H2 | 125.6° | 126.9° |
| N14 | C9 | C5 | 106.0° | 108.8° |
| N14 | C9 | C6 | 122.5° | 125.6° |
| C9 | N14 | H12 | 124.3° | 124.8° |
| C6 | C8 | C4 | 118.5° | 119.7° |
| C8 | C6 | C9 | 121.9° | 120.2° |
| C8 | C6 | C3 | 120.1° | 119.7° |
| C8 | C4 | C2 | 121.2° | 120.1° |
| C8 | C4 | H1 | 119.4° | 120.0° |
| C5 | C9 | C6 | 131.2° | 125.6° |
| C9 | C5 | H2 | 125.6° | 126.9° |
| C9 | C6 | C3 | 117.8° | 120.1° |
| C6 | C3 | C1 | 121.0° | 119.9° |
| C6 | C3 | H8 | 119.5° | 120.0° |
| C4 | C2 | C1 | 120.0° | 120.4° |
| C2 | C4 | H1 | 119.4° | 119.9° |
| C4 | C2 | H7 | 120.0° | 119.9° |
| C3 | C1 | C2 | 119.1° | 120.3° |
| C3 | C1 | H6 | 120.5° | 119.9° |
| C1 | C3 | H8 | 119.5° | 120.0° |
| C2 | C1 | H6 | 120.5° | 119.8° |
| C1 | C2 | H7 | 120.0° | 119.8° |
| H3 | C13 | H4 | 109.5° | 109.4° |
| H3 | C13 | H5 | 109.5° | 109.5° |
| H4 | C13 | H5 | 109.4° | 109.5° |
| H9 | C12 | H10 | 109.5° | 109.5° |
| H9 | C12 | H11 | 109.5° | 109.5° |
| H10 | C12 | H11 | 109.4° | 109.4° |
| H13 | N15 | H14 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N15 | C8 | C6 | C4 | 179.9° | 180.0° |
| N15 | C8 | C6 | C9 | 5.5° | 0.2° |
| N15 | C8 | C6 | C3 | 179.9° | 180.0° |
| N15 | C8 | C4 | C2 | 179.2° | 180.0° |
| N15 | C8 | C4 | H1 | 0.8° | 0.3° |
| C8 | N15 | H13 | H14 | 120.0° | 180.0° |
| C12 | C10 | C7 | N14 | 178.3° | 179.9° |
| C12 | C10 | C7 | C11 | 3.1° | 0.1° |
| C12 | C10 | C7 | C5 | 179.8° | 179.9° |
| C12 | C10 | N14 | C9 | 179.6° | 180.0° |
| C10 | C12 | H9 | H10 | 120.0° | 120.0° |
| C10 | C12 | H9 | H11 | 120.0° | 120.0° |
| C10 | C12 | H10 | H11 | 120.0° | 119.9° |
| C12 | C10 | N14 | H12 | 0.4° | 0.1° |
| O16 | C11 | C7 | C10 | 10.7° | 0.0° |
| O16 | C11 | C13 | C7 | 179.0° | 180.0° |
| O16 | C11 | C7 | C5 | 165.3° | 180.0° |
| O16 | C11 | C13 | H3 | 0.0° | 119.9° |
| O16 | C11 | C13 | H4 | 120.0° | 0.0° |
| O16 | C11 | C13 | H5 | 120.0° | 120.0° |
| C10 | C7 | C11 | C13 | 168.2° | 180.0° |
| C10 | C7 | C11 | C5 | 176.0° | 180.0° |
| C7 | C10 | N14 | C9 | 1.9° | 0.0° |
| C10 | C7 | C5 | C9 | 1.4° | 0.0° |
| C10 | C7 | C5 | H2 | 178.6° | 179.8° |
| C7 | C10 | C12 | H9 | 91.2° | 90.0° |
| C7 | C10 | C12 | H10 | 148.8° | 150.0° |
| C7 | C10 | C12 | H11 | 28.8° | 30.1° |
| C7 | C10 | N14 | H12 | 178.2° | 180.0° |
| N14 | C10 | C7 | C11 | 178.6° | 180.0° |
| N14 | C10 | C7 | C5 | 2.0° | 0.0° |
| C10 | N14 | C9 | H12 | 180.0° | 180.0° |
| C10 | N14 | C9 | C5 | 1.0° | 0.1° |
| C10 | N14 | C9 | C6 | 173.4° | 179.7° |
| N14 | C10 | C12 | H9 | 90.7° | 89.9° |
| N14 | C10 | C12 | H10 | 29.3° | 30.1° |
| N14 | C10 | C12 | H11 | 149.2° | 150.0° |
| C13 | C11 | C7 | C5 | 15.7° | 0.0° |
| C11 | C13 | H3 | H4 | 120.0° | 120.0° |
| C11 | C13 | H3 | H5 | 120.0° | 120.0° |
| C11 | C13 | H4 | H5 | 120.0° | 120.0° |
| C11 | C7 | C5 | C9 | 178.1° | 180.0° |
| C11 | C7 | C5 | H2 | 1.9° | 0.2° |
| C7 | C11 | C13 | H3 | 179.0° | 60.0° |
| C7 | C11 | C13 | H4 | 59.0° | 180.0° |
| C7 | C11 | C13 | H5 | 61.0° | 60.0° |
| C7 | C5 | C9 | N14 | 0.3° | 0.1° |
| C7 | C5 | C9 | H2 | 180.0° | 179.8° |
| C7 | C5 | C9 | C6 | 174.0° | 179.7° |
| N14 | C9 | C6 | C8 | 42.6° | 139.4° |
| N14 | C9 | C5 | C6 | 173.7° | 179.7° |
| N14 | C9 | C6 | C3 | 132.1° | 40.4° |
| N14 | C9 | C5 | H2 | 179.7° | 179.8° |
| C8 | C6 | C9 | C5 | 144.6° | 40.2° |
| C8 | C6 | C9 | C3 | 174.7° | 179.8° |
| C6 | C8 | C4 | C2 | 0.7° | 0.0° |
| C8 | C6 | C3 | C1 | 1.3° | 0.2° |
| C6 | C8 | C4 | H1 | 179.3° | 179.7° |
| C8 | C6 | C3 | H8 | 178.7° | 180.0° |
| C6 | C8 | N15 | H13 | 180.0° | 0.0° |
| C6 | C8 | N15 | H14 | 60.0° | 180.0° |
| C4 | C8 | C6 | C9 | 174.6° | 179.8° |
| C4 | C8 | C6 | C3 | 0.0° | 0.0° |
| C8 | C4 | C2 | H1 | 180.0° | 179.8° |
| C8 | C4 | C2 | C1 | 0.2° | 0.2° |
| C8 | C4 | C2 | H7 | 179.8° | 179.7° |
| C4 | C8 | N15 | H13 | 0.1° | 180.0° |
| C4 | C8 | N15 | H14 | 119.9° | 0.0° |
| C5 | C9 | C6 | C3 | 40.7° | 140.0° |
| C5 | C9 | N14 | H12 | 179.1° | 180.0° |
| C9 | C6 | C3 | C1 | 176.1° | 180.0° |
| C6 | C9 | C5 | H2 | 6.0° | 0.1° |
| C9 | C6 | C3 | H8 | 3.9° | 0.2° |
| C6 | C9 | N14 | H12 | 6.5° | 0.3° |
| C6 | C3 | C1 | H8 | 180.0° | 179.7° |
| C6 | C3 | C1 | C2 | 1.8° | 0.4° |
| C6 | C3 | C1 | H6 | 178.2° | 180.0° |
| C4 | C2 | C1 | C3 | 1.0° | 0.4° |
| C4 | C2 | C1 | H7 | 180.0° | 179.9° |
| C4 | C2 | C1 | H6 | 179.0° | 179.9° |
| C3 | C1 | C2 | H6 | 180.0° | 179.5° |
| C3 | C1 | C2 | H7 | 179.0° | 179.5° |
| C1 | C2 | C4 | H1 | 179.8° | 179.9° |
| C2 | C1 | C3 | H8 | 178.2° | 179.8° |
| H1 | C4 | C2 | H7 | 0.2° | 0.0° |
| H3 | C13 | H4 | H5 | 120.0° | 120.0° |
| H6 | C1 | C2 | H7 | 1.0° | 0.0° |
| H6 | C1 | C3 | H8 | 1.8° | 0.3° |
| H9 | C12 | H10 | H11 | 120.0° | 120.0° |
