Y32
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.37Å | Aromatic |
| O5 | C13 | sing | 1.36Å | 1.39Å | |
| O5 | C9 | sing | 1.36Å | 1.39Å | |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C18 | doub | 1.39Å | 1.37Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| O1 | C2 | doub | 1.22Å | 1.22Å | |
| O3 | C5 | doub | 1.21Å | 1.28Å | |
| C1 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.48Å | 1.49Å | |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | N1 | sing | 1.35Å | 1.31Å | |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| O2 | C5 | sing | 1.34Å | 1.27Å | |
| C5 | C3 | sing | 1.51Å | 1.55Å | |
| N1 | C3 | sing | 1.47Å | 1.45Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| N2 | C7 | sing | 1.35Å | 1.33Å | |
| C7 | O4 | doub | 1.21Å | 1.23Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| O2 | H11 | sing | 0.97Å | 0.95Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C13 | 118.6° | 119.9° |
| C14 | C15 | C16 | 120.6° | 120.0° |
| C14 | C15 | H8 | 119.7° | 120.0° |
| C15 | C14 | H16 | 120.7° | 120.0° |
| C14 | C13 | O5 | 119.8° | 120.1° |
| C14 | C13 | C18 | 121.7° | 119.9° |
| C13 | C14 | H16 | 120.7° | 120.0° |
| C13 | O5 | C9 | 121.1° | 118.1° |
| O5 | C13 | C18 | 118.2° | 120.0° |
| O5 | C9 | C10 | 119.7° | 120.0° |
| O5 | C9 | C8 | 118.9° | 119.9° |
| C15 | C16 | C17 | 119.1° | 120.1° |
| C16 | C15 | H8 | 119.7° | 120.0° |
| C15 | C16 | H17 | 120.5° | 119.9° |
| C13 | C18 | C17 | 118.8° | 119.9° |
| C13 | C18 | H18 | 120.6° | 120.0° |
| C10 | C9 | C8 | 121.2° | 120.1° |
| C9 | C10 | C11 | 119.2° | 120.2° |
| C9 | C10 | H7 | 120.4° | 119.9° |
| C9 | C8 | C1 | 119.0° | 119.8° |
| C9 | C8 | H6 | 120.5° | 120.1° |
| C10 | C11 | C12 | 120.4° | 120.2° |
| C11 | C10 | H7 | 120.4° | 119.8° |
| C10 | C11 | H14 | 119.8° | 119.9° |
| C8 | C1 | C12 | 120.0° | 119.7° |
| C8 | C1 | C2 | 116.2° | 120.1° |
| C1 | C8 | H6 | 120.5° | 120.1° |
| C11 | C12 | C1 | 119.9° | 120.0° |
| C12 | C11 | H14 | 119.8° | 119.9° |
| C11 | C12 | H15 | 120.0° | 120.0° |
| O1 | C2 | C1 | 121.6° | 120.0° |
| O1 | C2 | N1 | 121.1° | 120.0° |
| O3 | C5 | O2 | 125.9° | 120.0° |
| O3 | C5 | C3 | 116.7° | 120.0° |
| C12 | C1 | C2 | 123.6° | 120.2° |
| C1 | C12 | H15 | 120.0° | 120.0° |
| C1 | C2 | N1 | 117.3° | 120.0° |
| C16 | C17 | C18 | 120.9° | 120.1° |
| C16 | C17 | H9 | 119.5° | 120.0° |
| C17 | C16 | H17 | 120.5° | 120.0° |
| C2 | N1 | C3 | 120.4° | 120.0° |
| C2 | N1 | H1 | 119.8° | 120.1° |
| C18 | C17 | H9 | 119.6° | 119.9° |
| C17 | C18 | H18 | 120.6° | 120.1° |
| O2 | C5 | C3 | 117.4° | 120.0° |
| C5 | O2 | H11 | 109.5° | 117.0° |
| C5 | C3 | N1 | 109.8° | 109.5° |
| C5 | C3 | C4 | 114.0° | 109.5° |
| C5 | C3 | H10 | 107.7° | 109.5° |
| N1 | C3 | C4 | 108.3° | 109.5° |
| C3 | N1 | H1 | 119.8° | 119.9° |
| N1 | C3 | H10 | 109.0° | 109.5° |
| C3 | C4 | C6 | 110.0° | 109.5° |
| C3 | C4 | H2 | 109.4° | 109.5° |
| C3 | C4 | H3 | 109.3° | 109.4° |
| C4 | C3 | H10 | 107.9° | 109.4° |
| C4 | C6 | C7 | 111.7° | 109.5° |
| C6 | C4 | H2 | 109.3° | 109.5° |
| C6 | C4 | H3 | 109.3° | 109.5° |
| C4 | C6 | H4 | 108.9° | 109.5° |
| C4 | C6 | H5 | 108.9° | 109.4° |
| C6 | C7 | N2 | 118.0° | 120.0° |
| C6 | C7 | O4 | 117.9° | 120.0° |
| C7 | C6 | H4 | 108.9° | 109.5° |
| C7 | C6 | H5 | 108.9° | 109.5° |
| N2 | C7 | O4 | 123.8° | 120.0° |
| C7 | N2 | H12 | 120.0° | 120.0° |
| C7 | N2 | H13 | 120.0° | 120.0° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H12 | N2 | H13 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C13 | H16 | 180.0° | 179.9° |
| C15 | C14 | C13 | O5 | 176.4° | 179.8° |
| C14 | C15 | C16 | H8 | 180.0° | 179.7° |
| C15 | C14 | C13 | C18 | 2.6° | 0.0° |
| C14 | C15 | C16 | C17 | 3.7° | 0.3° |
| C14 | C15 | C16 | H17 | 176.3° | 179.7° |
| C14 | C13 | O5 | C18 | 174.0° | 179.8° |
| C14 | C13 | O5 | C9 | 129.0° | 67.6° |
| C13 | C14 | C15 | C16 | 2.8° | 0.0° |
| C14 | C13 | C18 | C17 | 3.3° | 0.3° |
| C13 | C14 | C15 | H8 | 177.2° | 179.7° |
| C14 | C13 | C18 | H18 | 176.7° | 179.8° |
| C13 | O5 | C9 | C10 | 147.9° | 173.8° |
| C13 | O5 | C9 | C8 | 36.3° | 6.2° |
| O5 | C13 | C18 | C17 | 177.2° | 179.9° |
| O5 | C13 | C14 | H16 | 3.6° | 0.3° |
| O5 | C13 | C18 | H18 | 2.8° | 0.0° |
| C9 | O5 | C13 | C18 | 57.0° | 112.6° |
| O5 | C9 | C10 | C8 | 175.8° | 180.0° |
| O5 | C9 | C10 | C11 | 177.1° | 179.4° |
| O5 | C9 | C8 | C1 | 179.8° | 180.0° |
| O5 | C9 | C8 | H6 | 0.2° | 0.3° |
| O5 | C9 | C10 | H7 | 2.9° | 0.2° |
| C15 | C16 | C17 | H17 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 4.4° | 0.6° |
| C15 | C16 | C17 | H9 | 175.6° | 180.0° |
| C16 | C15 | C14 | H16 | 177.2° | 179.9° |
| C13 | C18 | C17 | C16 | 4.2° | 0.6° |
| C13 | C18 | C17 | H18 | 180.0° | 180.0° |
| C13 | C18 | C17 | H9 | 175.8° | 180.0° |
| C18 | C13 | C14 | H16 | 177.4° | 179.9° |
| C9 | C10 | C11 | H7 | 180.0° | 179.2° |
| C10 | C9 | C8 | C1 | 4.4° | 0.0° |
| C9 | C10 | C11 | C12 | 1.9° | 0.9° |
| C10 | C9 | C8 | H6 | 175.6° | 179.7° |
| C9 | C10 | C11 | H14 | 178.1° | 179.2° |
| C8 | C9 | C10 | C11 | 1.3° | 0.6° |
| C9 | C8 | C1 | H6 | 180.0° | 179.7° |
| C9 | C8 | C1 | C12 | 4.2° | 0.2° |
| C9 | C8 | C1 | C2 | 179.7° | 179.7° |
| C8 | C9 | C10 | H7 | 178.6° | 179.8° |
| C10 | C11 | C12 | H14 | 180.0° | 179.9° |
| C10 | C11 | C12 | C1 | 2.0° | 0.6° |
| C10 | C11 | C12 | H15 | 178.0° | 179.4° |
| C8 | C1 | C12 | C11 | 1.1° | 0.1° |
| C8 | C1 | C2 | O1 | 32.3° | 0.1° |
| C8 | C1 | C12 | C2 | 175.1° | 179.9° |
| C8 | C1 | C2 | N1 | 148.3° | 180.0° |
| C8 | C1 | C12 | H15 | 178.9° | 180.0° |
| C11 | C12 | C1 | H15 | 180.0° | 179.9° |
| C11 | C12 | C1 | C2 | 176.2° | 180.0° |
| C12 | C11 | C10 | H7 | 178.1° | 179.9° |
| O1 | C2 | C1 | C12 | 143.0° | 180.0° |
| O1 | C2 | C1 | N1 | 179.5° | 180.0° |
| O1 | C2 | N1 | C3 | 2.0° | 0.0° |
| O1 | C2 | N1 | H1 | 178.0° | 179.7° |
| O3 | C5 | O2 | C3 | 178.6° | 180.0° |
| O3 | C5 | C3 | N1 | 46.0° | 0.0° |
| O3 | C5 | C3 | C4 | 75.6° | 120.0° |
| O3 | C5 | C3 | H10 | 164.6° | 120.0° |
| O3 | C5 | O2 | H11 | 0.0° | 0.0° |
| C12 | C1 | C2 | N1 | 36.4° | 0.1° |
| C12 | C1 | C8 | H6 | 175.8° | 179.9° |
| C1 | C12 | C11 | H14 | 178.0° | 179.5° |
| C1 | C2 | N1 | C3 | 178.5° | 180.0° |
| C1 | C2 | N1 | H1 | 1.5° | 0.3° |
| C2 | C1 | C8 | H6 | 0.3° | 0.0° |
| C2 | C1 | C12 | H15 | 3.8° | 0.1° |
| C16 | C17 | C18 | H9 | 180.0° | 179.4° |
| C17 | C16 | C15 | H8 | 176.3° | 180.0° |
| C16 | C17 | C18 | H18 | 175.8° | 179.5° |
| C2 | N1 | C3 | C5 | 57.4° | 85.3° |
| C2 | N1 | C3 | H1 | 180.0° | 179.7° |
| C2 | N1 | C3 | C4 | 177.5° | 154.7° |
| C2 | N1 | C3 | H10 | 60.4° | 34.7° |
| C18 | C17 | C16 | H17 | 175.6° | 179.4° |
| O2 | C5 | C3 | N1 | 135.2° | 180.0° |
| O2 | C5 | C3 | C4 | 103.1° | 60.0° |
| O2 | C5 | C3 | H10 | 16.7° | 60.0° |
| C5 | C3 | N1 | C4 | 125.0° | 120.0° |
| C5 | C3 | N1 | H10 | 117.8° | 120.0° |
| C5 | C3 | C4 | H10 | 119.7° | 120.0° |
| C5 | C3 | C4 | C6 | 75.8° | 175.0° |
| C5 | C3 | N1 | H1 | 122.6° | 95.0° |
| C5 | C3 | C4 | H2 | 164.1° | 55.0° |
| C5 | C3 | C4 | H3 | 44.3° | 65.0° |
| C3 | C5 | O2 | H11 | 178.6° | 180.0° |
| N1 | C3 | C4 | H10 | 117.9° | 120.0° |
| N1 | C3 | C4 | C6 | 161.7° | 65.0° |
| N1 | C3 | C4 | H2 | 41.6° | 175.0° |
| N1 | C3 | C4 | H3 | 78.2° | 55.0° |
| C3 | C4 | C6 | H2 | 120.1° | 120.0° |
| C3 | C4 | C6 | H3 | 120.1° | 120.0° |
| C3 | C4 | C6 | C7 | 95.1° | 180.0° |
| C4 | C3 | N1 | H1 | 2.4° | 25.0° |
| C3 | C4 | H2 | H3 | 119.8° | 120.0° |
| C3 | C4 | C6 | H4 | 144.6° | 60.0° |
| C3 | C4 | C6 | H5 | 25.3° | 60.0° |
| C4 | C6 | C7 | H4 | 120.3° | 120.0° |
| C4 | C6 | C7 | H5 | 120.4° | 119.9° |
| C4 | C6 | C7 | N2 | 102.9° | 180.0° |
| C4 | C6 | C7 | O4 | 83.5° | 0.0° |
| C6 | C4 | H2 | H3 | 119.7° | 120.0° |
| C4 | C6 | H4 | H5 | 119.0° | 119.9° |
| C6 | C4 | C3 | H10 | 43.9° | 55.0° |
| C6 | C7 | N2 | O4 | 173.2° | 179.9° |
| C7 | C6 | C4 | H2 | 25.0° | 60.0° |
| C7 | C6 | C4 | H3 | 144.8° | 60.0° |
| C7 | C6 | H4 | H5 | 119.0° | 120.0° |
| C6 | C7 | N2 | H12 | 173.2° | 0.1° |
| C6 | C7 | N2 | H13 | 6.8° | 180.0° |
| N2 | C7 | C6 | H4 | 136.8° | 60.0° |
| N2 | C7 | C6 | H5 | 17.5° | 60.1° |
| C7 | N2 | H12 | H13 | 180.0° | 179.9° |
| O4 | C7 | C6 | H4 | 36.8° | 120.0° |
| O4 | C7 | C6 | H5 | 156.1° | 120.0° |
| O4 | C7 | N2 | H12 | 0.0° | 180.0° |
| O4 | C7 | N2 | H13 | 180.0° | 0.1° |
| H1 | N1 | C3 | H10 | 119.6° | 145.0° |
| H2 | C4 | C6 | H4 | 95.3° | 60.0° |
| H2 | C4 | C6 | H5 | 145.4° | 180.0° |
| H2 | C4 | C3 | H10 | 76.2° | 65.0° |
| H3 | C4 | C6 | H4 | 24.5° | 180.0° |
| H3 | C4 | C6 | H5 | 94.8° | 60.0° |
| H3 | C4 | C3 | H10 | 163.9° | 175.0° |
| H7 | C10 | C11 | H14 | 1.9° | 0.0° |
| H8 | C15 | C14 | H16 | 2.8° | 0.3° |
| H8 | C15 | C16 | H17 | 3.7° | 0.0° |
| H9 | C17 | C16 | H17 | 4.4° | 0.0° |
| H9 | C17 | C18 | H18 | 4.2° | 0.1° |
| H14 | C11 | C12 | H15 | 2.0° | 0.5° |
