A6Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | N19 | sing | 1.32Å | 1.40Å | Aromatic |
| C21 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| N19 | C12 | doub | 1.32Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| C9 | O22 | sing | 1.43Å | 1.43Å | |
| C9 | C2 | sing | 1.51Å | 1.55Å | |
| N2 | C2 | doub | 1.30Å | 1.39Å | Aromatic |
| N2 | C3 | sing | 1.36Å | 1.42Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | N3 | sing | 1.36Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.40Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.37Å | 1.37Å | Aromatic |
| C3 | C8 | sing | 1.41Å | 1.42Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| N3 | C8 | sing | 1.38Å | 1.36Å | Aromatic |
| N3 | C24 | sing | 1.46Å | 1.49Å | |
| C8 | C7 | doub | 1.39Å | 1.37Å | Aromatic |
| C32 | C30 | sing | 1.51Å | 1.51Å | |
| C31 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C26 | sing | 1.51Å | 1.54Å | |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C25 | sing | 1.51Å | 1.51Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.08Å | 1.08Å | |
| C29 | H11 | sing | 1.08Å | 1.08Å | |
| C31 | H12 | sing | 1.08Å | 1.08Å | |
| C32 | H13 | sing | 1.09Å | 1.10Å | |
| C32 | H14 | sing | 1.09Å | 1.10Å | |
| C32 | H15 | sing | 1.09Å | 1.10Å | |
| O22 | H16 | sing | 0.97Å | 0.95Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C20 | N19 | 120.4° | 120.7° |
| C20 | C21 | C10 | 120.3° | 119.2° |
| C21 | C20 | H7 | 119.8° | 119.7° |
| C20 | C21 | H18 | 119.8° | 120.4° |
| C20 | N19 | C12 | 120.1° | 121.7° |
| N19 | C20 | H7 | 119.8° | 119.6° |
| C21 | C10 | C9 | 119.2° | 120.8° |
| C21 | C10 | C11 | 118.4° | 118.4° |
| C10 | C21 | H18 | 119.8° | 120.4° |
| N19 | C12 | C11 | 120.1° | 120.8° |
| N19 | C12 | H6 | 119.9° | 119.6° |
| C9 | C10 | C11 | 122.4° | 120.8° |
| C10 | C9 | O22 | 111.4° | 109.5° |
| C10 | C9 | C2 | 108.2° | 109.5° |
| C10 | C9 | H17 | 108.1° | 109.5° |
| C10 | C11 | C12 | 120.7° | 119.2° |
| C10 | C11 | H3 | 119.7° | 120.4° |
| O22 | C9 | C2 | 112.3° | 109.5° |
| C9 | O22 | H16 | 109.5° | 114.0° |
| O22 | C9 | H17 | 109.2° | 109.4° |
| C9 | C2 | N2 | 120.1° | 124.9° |
| C9 | C2 | N3 | 131.0° | 124.9° |
| C2 | C9 | H17 | 107.6° | 109.5° |
| C2 | N2 | C3 | 105.8° | 109.6° |
| N2 | C2 | N3 | 107.4° | 110.1° |
| N2 | C3 | C4 | 130.9° | 133.6° |
| N2 | C3 | C8 | 109.5° | 106.9° |
| C12 | C11 | H3 | 119.6° | 120.4° |
| C11 | C12 | H6 | 119.9° | 119.6° |
| C2 | N3 | C8 | 112.0° | 107.3° |
| C2 | N3 | C24 | 120.2° | 126.4° |
| C3 | C4 | C5 | 120.0° | 119.9° |
| C4 | C3 | C8 | 119.5° | 119.4° |
| C3 | C4 | H5 | 120.0° | 120.0° |
| C4 | C5 | C6 | 120.1° | 120.7° |
| C4 | C5 | H4 | 119.9° | 119.6° |
| C5 | C4 | H5 | 120.0° | 120.1° |
| C3 | C8 | N3 | 104.6° | 106.0° |
| C3 | C8 | C7 | 120.8° | 119.8° |
| C5 | C6 | C7 | 121.2° | 120.4° |
| C5 | C6 | H2 | 119.4° | 119.8° |
| C6 | C5 | H4 | 120.0° | 119.7° |
| C8 | N3 | C24 | 127.4° | 126.3° |
| N3 | C8 | C7 | 134.6° | 134.1° |
| N3 | C24 | C26 | 111.0° | 109.5° |
| N3 | C24 | H8 | 109.1° | 109.5° |
| N3 | C24 | H9 | 109.1° | 109.5° |
| C8 | C7 | C6 | 118.5° | 119.7° |
| C8 | C7 | H1 | 120.8° | 120.2° |
| C32 | C30 | C31 | 119.8° | 120.0° |
| C32 | C30 | C29 | 120.4° | 120.0° |
| C30 | C32 | H13 | 109.5° | 109.4° |
| C30 | C32 | H14 | 109.5° | 109.5° |
| C30 | C32 | H15 | 109.4° | 109.5° |
| C30 | C31 | C26 | 121.1° | 120.0° |
| C31 | C30 | C29 | 119.8° | 120.0° |
| C30 | C31 | H12 | 119.5° | 120.0° |
| C31 | C26 | C24 | 118.3° | 120.0° |
| C31 | C26 | C27 | 118.6° | 120.0° |
| C26 | C31 | H12 | 119.4° | 120.0° |
| C24 | C26 | C27 | 123.2° | 120.0° |
| C26 | C24 | H8 | 109.1° | 109.5° |
| C26 | C24 | H9 | 109.1° | 109.5° |
| C6 | C7 | H1 | 120.7° | 120.1° |
| C7 | C6 | H2 | 119.4° | 119.8° |
| C30 | C29 | C28 | 119.6° | 120.0° |
| C30 | C29 | H11 | 120.2° | 120.0° |
| C26 | C27 | C28 | 120.2° | 120.0° |
| C26 | C27 | C25 | 121.6° | 120.0° |
| C29 | C28 | C27 | 120.7° | 120.0° |
| C29 | C28 | H10 | 119.6° | 120.0° |
| C28 | C29 | H11 | 120.2° | 120.0° |
| C28 | C27 | C25 | 118.2° | 120.0° |
| C27 | C28 | H10 | 119.6° | 120.0° |
| C27 | C25 | H19 | 109.5° | 109.5° |
| C27 | C25 | H20 | 109.5° | 109.4° |
| C27 | C25 | H21 | 109.5° | 109.5° |
| H8 | C24 | H9 | 109.4° | 109.4° |
| H13 | C32 | H14 | 109.4° | 109.5° |
| H13 | C32 | H15 | 109.5° | 109.5° |
| H14 | C32 | H15 | 109.5° | 109.5° |
| H19 | C25 | H20 | 109.5° | 109.5° |
| H19 | C25 | H21 | 109.4° | 109.5° |
| H20 | C25 | H21 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C20 | N19 | H7 | 180.0° | 179.8° |
| C20 | C21 | C10 | H18 | 180.0° | 179.8° |
| C21 | C20 | N19 | C12 | 0.7° | 0.2° |
| C20 | C21 | C10 | C9 | 178.6° | 180.0° |
| C20 | C21 | C10 | C11 | 1.1° | 0.0° |
| N19 | C20 | C21 | C10 | 1.3° | 0.2° |
| C20 | N19 | C12 | C11 | 0.2° | 0.0° |
| C20 | N19 | C12 | H6 | 179.8° | 180.0° |
| N19 | C20 | C21 | H18 | 178.7° | 180.0° |
| C21 | C10 | C9 | C11 | 177.4° | 180.0° |
| C21 | C10 | C9 | O22 | 169.3° | 46.5° |
| C21 | C10 | C9 | C2 | 66.8° | 73.5° |
| C21 | C10 | C11 | C12 | 0.6° | 0.2° |
| C21 | C10 | C11 | H3 | 179.5° | 180.0° |
| C10 | C21 | C20 | H7 | 178.7° | 180.0° |
| C21 | C10 | C9 | H17 | 49.4° | 166.5° |
| N19 | C12 | C11 | C10 | 0.1° | 0.2° |
| N19 | C12 | C11 | H6 | 180.0° | 180.0° |
| N19 | C12 | C11 | H3 | 179.9° | 180.0° |
| C12 | N19 | C20 | H7 | 179.2° | 179.9° |
| C10 | C9 | O22 | C2 | 121.5° | 120.0° |
| C10 | C9 | O22 | H17 | 119.3° | 120.0° |
| C10 | C9 | C2 | H17 | 116.6° | 120.0° |
| C10 | C9 | C2 | N2 | 98.7° | 41.0° |
| C9 | C10 | C11 | C12 | 177.9° | 179.8° |
| C10 | C9 | C2 | N3 | 65.2° | 139.0° |
| C9 | C10 | C11 | H3 | 2.1° | 0.1° |
| C10 | C9 | O22 | H16 | 180.0° | 60.0° |
| C9 | C10 | C21 | H18 | 1.4° | 0.2° |
| C11 | C10 | C9 | O22 | 13.3° | 133.5° |
| C11 | C10 | C9 | C2 | 110.5° | 106.4° |
| C10 | C11 | C12 | H3 | 180.0° | 179.7° |
| C10 | C11 | C12 | H6 | 179.9° | 179.7° |
| C11 | C10 | C9 | H17 | 133.3° | 13.6° |
| C11 | C10 | C21 | H18 | 178.8° | 179.8° |
| O22 | C9 | C2 | H17 | 120.1° | 120.0° |
| O22 | C9 | C2 | N2 | 138.0° | 79.1° |
| O22 | C9 | C2 | N3 | 58.1° | 101.0° |
| C9 | C2 | N2 | N3 | 167.3° | 179.9° |
| C9 | C2 | N2 | C3 | 174.8° | 180.0° |
| C9 | C2 | N3 | C8 | 173.6° | 179.8° |
| C9 | C2 | N3 | C24 | 12.7° | 0.0° |
| C2 | C9 | O22 | H16 | 58.5° | 60.0° |
| C2 | N2 | C3 | C4 | 176.3° | 180.0° |
| C2 | N2 | C3 | C8 | 4.7° | 0.3° |
| N2 | C2 | N3 | C8 | 8.2° | 0.2° |
| N2 | C2 | N3 | C24 | 178.1° | 180.0° |
| N2 | C2 | C9 | H17 | 17.9° | 161.0° |
| C3 | N2 | C2 | N3 | 7.5° | 0.1° |
| N2 | C3 | C4 | C8 | 179.0° | 179.7° |
| N2 | C3 | C4 | C5 | 179.1° | 180.0° |
| N2 | C3 | C8 | N3 | 0.1° | 0.3° |
| N2 | C3 | C8 | C7 | 179.2° | 179.7° |
| N2 | C3 | C4 | H5 | 0.9° | 0.3° |
| C2 | N3 | C8 | C3 | 5.0° | 0.3° |
| C2 | N3 | C8 | C24 | 173.2° | 179.8° |
| C2 | N3 | C8 | C7 | 176.0° | 179.5° |
| C2 | N3 | C24 | C26 | 128.8° | 85.9° |
| C2 | N3 | C24 | H8 | 8.5° | 34.2° |
| C2 | N3 | C24 | H9 | 111.0° | 154.1° |
| N3 | C2 | C9 | H17 | 178.2° | 19.0° |
| C3 | C4 | C5 | H5 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C4 | C3 | C8 | N3 | 179.1° | 179.9° |
| C4 | C3 | C8 | C7 | 0.0° | 0.5° |
| C3 | C4 | C5 | H4 | 179.9° | 180.0° |
| C5 | C4 | C3 | C8 | 0.1° | 0.2° |
| C4 | C5 | C6 | H4 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.0° | 0.0° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C3 | C8 | N3 | C7 | 178.9° | 179.2° |
| C3 | C8 | N3 | C24 | 178.3° | 179.9° |
| C3 | C8 | C7 | C6 | 0.1° | 0.5° |
| C3 | C8 | C7 | H1 | 180.0° | 179.7° |
| C8 | C3 | C4 | H5 | 179.9° | 180.0° |
| C5 | C6 | C7 | C8 | 0.1° | 0.3° |
| C5 | C6 | C7 | H2 | 180.0° | 180.0° |
| C5 | C6 | C7 | H1 | 179.9° | 180.0° |
| C6 | C5 | C4 | H5 | 179.9° | 179.7° |
| C8 | N3 | C24 | C26 | 58.5° | 93.9° |
| N3 | C8 | C7 | C6 | 178.9° | 179.7° |
| N3 | C8 | C7 | H1 | 1.2° | 0.6° |
| C8 | N3 | C24 | H8 | 178.7° | 146.0° |
| C8 | N3 | C24 | H9 | 61.8° | 26.1° |
| C24 | N3 | C8 | C7 | 2.8° | 0.7° |
| N3 | C24 | C26 | C31 | 58.6° | 72.3° |
| N3 | C24 | C26 | H8 | 120.3° | 120.0° |
| N3 | C24 | C26 | H9 | 120.2° | 120.0° |
| N3 | C24 | C26 | C27 | 122.7° | 107.7° |
| N3 | C24 | H8 | H9 | 119.3° | 119.9° |
| C8 | C7 | C6 | H1 | 180.0° | 179.8° |
| C8 | C7 | C6 | H2 | 179.9° | 179.8° |
| C32 | C30 | C31 | C29 | 179.9° | 179.7° |
| C32 | C30 | C31 | C26 | 179.3° | 180.0° |
| C32 | C30 | C29 | C28 | 179.6° | 179.7° |
| C32 | C30 | C29 | H11 | 0.4° | 0.3° |
| C32 | C30 | C31 | H12 | 0.7° | 0.0° |
| C30 | C32 | H13 | H14 | 120.0° | 120.0° |
| C30 | C32 | H13 | H15 | 120.0° | 120.0° |
| C30 | C32 | H14 | H15 | 120.0° | 120.0° |
| C30 | C31 | C26 | H12 | 180.0° | 180.0° |
| C30 | C31 | C26 | C24 | 179.3° | 179.7° |
| C30 | C31 | C26 | C27 | 0.5° | 0.2° |
| C31 | C30 | C29 | C28 | 0.2° | 0.1° |
| C31 | C30 | C29 | H11 | 179.8° | 180.0° |
| C31 | C30 | C32 | H13 | 90.1° | 89.3° |
| C31 | C30 | C32 | H14 | 149.9° | 150.8° |
| C31 | C30 | C32 | H15 | 29.9° | 30.7° |
| C31 | C26 | C24 | C27 | 178.7° | 179.9° |
| C26 | C31 | C30 | C29 | 0.6° | 0.2° |
| C31 | C26 | C27 | C28 | 0.1° | 0.1° |
| C31 | C26 | C27 | C25 | 178.9° | 180.0° |
| C31 | C26 | C24 | H8 | 61.7° | 47.8° |
| C31 | C26 | C24 | H9 | 178.8° | 167.7° |
| C24 | C26 | C27 | C28 | 178.8° | 180.0° |
| C24 | C26 | C27 | C25 | 0.2° | 0.1° |
| C26 | C24 | H8 | H9 | 119.3° | 120.0° |
| C24 | C26 | C31 | H12 | 0.7° | 0.3° |
| C7 | C6 | C5 | H4 | 180.0° | 179.9° |
| C30 | C29 | C28 | H11 | 180.0° | 179.9° |
| C30 | C29 | C28 | C27 | 0.2° | 0.4° |
| C30 | C29 | C28 | H10 | 179.9° | 180.0° |
| C29 | C30 | C31 | H12 | 179.5° | 179.7° |
| C29 | C30 | C32 | H13 | 90.1° | 91.0° |
| C29 | C30 | C32 | H14 | 29.9° | 29.0° |
| C29 | C30 | C32 | H15 | 149.9° | 149.0° |
| C26 | C27 | C28 | C29 | 0.2° | 0.4° |
| C26 | C27 | C28 | C25 | 179.0° | 179.9° |
| C27 | C26 | C24 | H8 | 117.0° | 132.3° |
| C27 | C26 | C24 | H9 | 2.5° | 12.3° |
| C26 | C27 | C28 | H10 | 179.8° | 180.0° |
| C27 | C26 | C31 | H12 | 179.5° | 179.7° |
| C26 | C27 | C25 | H19 | 90.5° | 87.6° |
| C26 | C27 | C25 | H20 | 149.4° | 152.4° |
| C26 | C27 | C25 | H21 | 29.5° | 32.5° |
| C29 | C28 | C27 | H10 | 180.0° | 179.6° |
| C29 | C28 | C27 | C25 | 179.2° | 179.7° |
| C27 | C28 | C29 | H11 | 179.8° | 179.7° |
| C28 | C27 | C25 | H19 | 90.5° | 92.3° |
| C28 | C27 | C25 | H20 | 29.6° | 27.7° |
| C28 | C27 | C25 | H21 | 149.6° | 147.6° |
| C25 | C27 | C28 | H10 | 0.8° | 0.1° |
| C27 | C25 | H19 | H20 | 120.0° | 119.9° |
| C27 | C25 | H19 | H21 | 120.0° | 120.0° |
| C27 | C25 | H20 | H21 | 120.0° | 119.9° |
| H1 | C7 | C6 | H2 | 0.1° | 0.0° |
| H2 | C6 | C5 | H4 | 0.0° | 0.0° |
| H3 | C11 | C12 | H6 | 0.1° | 0.0° |
| H4 | C5 | C4 | H5 | 0.1° | 0.2° |
| H7 | C20 | C21 | H18 | 1.3° | 0.1° |
| H10 | C28 | C29 | H11 | 0.1° | 0.1° |
| H13 | C32 | H14 | H15 | 120.0° | 120.0° |
| H16 | O22 | C9 | H17 | 60.7° | 180.0° |
| H19 | C25 | H20 | H21 | 119.9° | 120.1° |
