A0Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.56Å | |
| C8 | O7 | sing | 1.43Å | 1.50Å | |
| O7 | C3 | sing | 1.36Å | 1.36Å | |
| N18 | C19 | doub | 1.32Å | 1.34Å | Aromatic |
| N18 | C17 | sing | 1.32Å | 1.34Å | Aromatic |
| C19 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | N12 | sing | 1.40Å | 1.42Å | |
| C14 | C15 | doub | 1.39Å | 1.35Å | Aromatic |
| N12 | C11 | sing | 1.35Å | 1.37Å | |
| C16 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C11 | sing | 1.47Å | 1.50Å | |
| C2 | C1 | doub | 1.40Å | 1.37Å | Aromatic |
| C11 | O13 | doub | 1.22Å | 1.23Å | |
| C6 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | N10 | sing | 1.40Å | 1.46Å | |
| N10 | C29 | sing | 1.47Å | 1.47Å | |
| N10 | C25 | sing | 1.47Å | 1.49Å | |
| C29 | C28 | sing | 1.53Å | 1.51Å | |
| C28 | N27 | sing | 1.47Å | 1.47Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C26 | N27 | sing | 1.47Å | 1.45Å | |
| N27 | C30 | sing | 1.47Å | 1.48Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| N12 | H6 | sing | 0.97Å | 1.00Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | C20 | 121.1° | 120.0° |
| C21 | C22 | C23 | 117.2° | 120.0° |
| C22 | C21 | H12 | 119.5° | 120.0° |
| C21 | C22 | H13 | 121.4° | 120.0° |
| C21 | C20 | C9 | 120.8° | 120.0° |
| C21 | C20 | H11 | 119.6° | 120.0° |
| C20 | C21 | H12 | 119.4° | 120.0° |
| C22 | C23 | C24 | 121.7° | 120.0° |
| C23 | C22 | H13 | 121.4° | 120.0° |
| C22 | C23 | H14 | 119.1° | 120.0° |
| C20 | C9 | C24 | 118.9° | 120.0° |
| C20 | C9 | C8 | 118.5° | 120.0° |
| C9 | C20 | H11 | 119.6° | 120.0° |
| C23 | C24 | C9 | 120.2° | 120.0° |
| C24 | C23 | H14 | 119.1° | 120.0° |
| C23 | C24 | H15 | 119.9° | 120.0° |
| C24 | C9 | C8 | 122.6° | 120.0° |
| C9 | C24 | H15 | 119.9° | 120.0° |
| C9 | C8 | O7 | 102.4° | 109.4° |
| C9 | C8 | H4 | 111.2° | 109.5° |
| C9 | C8 | H5 | 111.2° | 109.5° |
| C8 | O7 | C3 | 121.1° | 117.0° |
| O7 | C8 | H4 | 111.2° | 109.5° |
| O7 | C8 | H5 | 111.2° | 109.5° |
| O7 | C3 | C4 | 122.4° | 120.1° |
| O7 | C3 | C2 | 118.0° | 120.1° |
| C19 | N18 | C17 | 122.9° | 121.8° |
| N18 | C19 | C14 | 121.2° | 120.6° |
| N18 | C19 | H10 | 119.4° | 119.7° |
| N18 | C17 | C16 | 117.5° | 120.9° |
| N18 | C17 | H9 | 121.3° | 119.6° |
| C19 | C14 | N12 | 119.4° | 120.4° |
| C19 | C14 | C15 | 115.5° | 119.1° |
| C14 | C19 | H10 | 119.4° | 119.7° |
| C17 | C16 | C15 | 119.5° | 119.3° |
| C17 | C16 | H8 | 120.3° | 120.3° |
| C16 | C17 | H9 | 121.2° | 119.6° |
| C3 | C4 | C5 | 122.9° | 120.2° |
| C4 | C3 | C2 | 119.6° | 119.8° |
| C3 | C4 | H2 | 118.6° | 119.9° |
| C4 | C5 | C6 | 117.0° | 120.3° |
| C5 | C4 | H2 | 118.6° | 119.9° |
| C4 | C5 | H3 | 121.5° | 119.8° |
| C3 | C2 | C11 | 123.9° | 120.2° |
| C3 | C2 | C1 | 117.3° | 119.7° |
| N12 | C14 | C15 | 125.1° | 120.5° |
| C14 | N12 | C11 | 131.1° | 120.0° |
| C14 | N12 | H6 | 114.4° | 120.0° |
| C14 | C15 | C16 | 123.3° | 118.3° |
| C14 | C15 | H7 | 118.4° | 120.8° |
| N12 | C11 | C2 | 120.0° | 120.0° |
| N12 | C11 | O13 | 121.1° | 119.9° |
| C11 | N12 | H6 | 114.5° | 120.0° |
| C16 | C15 | H7 | 118.4° | 120.8° |
| C15 | C16 | H8 | 120.2° | 120.4° |
| C5 | C6 | C1 | 118.9° | 120.2° |
| C5 | C6 | N10 | 121.9° | 119.9° |
| C6 | C5 | H3 | 121.5° | 119.9° |
| C11 | C2 | C1 | 118.8° | 120.2° |
| C2 | C11 | O13 | 118.9° | 120.1° |
| C2 | C1 | C6 | 124.3° | 119.8° |
| C2 | C1 | H1 | 117.8° | 120.1° |
| C1 | C6 | N10 | 119.1° | 119.9° |
| C6 | C1 | H1 | 117.8° | 120.1° |
| C6 | N10 | C29 | 120.7° | 111.0° |
| C6 | N10 | C25 | 117.2° | 111.0° |
| C29 | N10 | C25 | 118.2° | 110.9° |
| N10 | C29 | C28 | 110.8° | 109.3° |
| N10 | C29 | H23 | 109.2° | 109.5° |
| N10 | C29 | H24 | 109.1° | 109.5° |
| N10 | C25 | C26 | 111.4° | 109.4° |
| N10 | C25 | H16 | 109.0° | 109.4° |
| N10 | C25 | H17 | 109.0° | 109.5° |
| C29 | C28 | N27 | 110.3° | 109.4° |
| C29 | C28 | H21 | 109.3° | 109.5° |
| C29 | C28 | H22 | 109.3° | 109.5° |
| C28 | C29 | H23 | 109.1° | 109.5° |
| C28 | C29 | H24 | 109.2° | 109.5° |
| C28 | N27 | C26 | 109.8° | 110.9° |
| C28 | N27 | C30 | 111.8° | 111.0° |
| N27 | C28 | H21 | 109.3° | 109.4° |
| N27 | C28 | H22 | 109.3° | 109.5° |
| C25 | C26 | N27 | 109.0° | 109.4° |
| C26 | C25 | H16 | 109.0° | 109.5° |
| C26 | C25 | H17 | 109.0° | 109.5° |
| C25 | C26 | H18 | 109.6° | 109.5° |
| C25 | C26 | H19 | 109.6° | 109.5° |
| C26 | N27 | C30 | 108.0° | 111.0° |
| N27 | C26 | H18 | 109.6° | 109.5° |
| N27 | C26 | H19 | 109.6° | 109.5° |
| N27 | C30 | H25 | 109.5° | 109.5° |
| N27 | C30 | H26 | 109.4° | 109.4° |
| N27 | C30 | H27 | 109.5° | 109.5° |
| H4 | C8 | H5 | 109.5° | 109.5° |
| H16 | C25 | H17 | 109.4° | 109.5° |
| H18 | C26 | H19 | 109.5° | 109.5° |
| H21 | C28 | H22 | 109.4° | 109.5° |
| H23 | C29 | H24 | 109.4° | 109.5° |
| H25 | C30 | H26 | 109.5° | 109.5° |
| H25 | C30 | H27 | 109.5° | 109.5° |
| H26 | C30 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | C20 | H12 | 180.0° | 179.9° |
| C21 | C22 | C23 | H13 | 180.0° | 180.0° |
| C22 | C21 | C20 | C9 | 1.5° | 0.0° |
| C21 | C22 | C23 | C24 | 1.4° | 0.1° |
| C22 | C21 | C20 | H11 | 178.5° | 180.0° |
| C21 | C22 | C23 | H14 | 178.5° | 180.0° |
| C20 | C21 | C22 | C23 | 1.5° | 0.0° |
| C21 | C20 | C9 | H11 | 180.0° | 180.0° |
| C21 | C20 | C9 | C24 | 1.3° | 0.0° |
| C21 | C20 | C9 | C8 | 178.0° | 179.7° |
| C20 | C21 | C22 | H13 | 178.4° | 180.0° |
| C22 | C23 | C24 | H14 | 180.0° | 179.9° |
| C22 | C23 | C24 | C9 | 1.3° | 0.1° |
| C23 | C22 | C21 | H12 | 178.5° | 180.0° |
| C22 | C23 | C24 | H15 | 178.7° | 179.7° |
| C20 | C9 | C24 | C23 | 1.2° | 0.0° |
| C20 | C9 | C24 | C8 | 179.3° | 179.7° |
| C20 | C9 | C8 | O7 | 85.7° | 89.7° |
| C20 | C9 | C8 | H4 | 33.2° | 150.2° |
| C20 | C9 | C8 | H5 | 155.4° | 30.3° |
| C9 | C20 | C21 | H12 | 178.5° | 179.9° |
| C20 | C9 | C24 | H15 | 178.8° | 179.7° |
| C23 | C24 | C9 | H15 | 180.0° | 179.6° |
| C23 | C24 | C9 | C8 | 178.1° | 179.7° |
| C24 | C23 | C22 | H13 | 178.5° | 179.9° |
| C24 | C9 | C8 | O7 | 93.6° | 90.0° |
| C24 | C9 | C8 | H4 | 147.6° | 30.0° |
| C24 | C9 | C8 | H5 | 25.3° | 150.0° |
| C24 | C9 | C20 | H11 | 178.7° | 180.0° |
| C9 | C24 | C23 | H14 | 178.7° | 180.0° |
| C9 | C8 | O7 | H4 | 118.8° | 120.0° |
| C9 | C8 | O7 | H5 | 118.9° | 120.0° |
| C9 | C8 | O7 | C3 | 168.9° | 180.0° |
| C9 | C8 | H4 | H5 | 123.3° | 120.0° |
| C8 | C9 | C20 | H11 | 2.0° | 0.3° |
| C8 | C9 | C24 | H15 | 1.9° | 0.0° |
| C8 | O7 | C3 | C4 | 2.0° | 0.0° |
| C8 | O7 | C3 | C2 | 176.9° | 180.0° |
| O7 | C8 | H4 | H5 | 123.3° | 120.0° |
| O7 | C3 | C4 | C2 | 178.9° | 180.0° |
| O7 | C3 | C4 | C5 | 179.6° | 180.0° |
| O7 | C3 | C2 | C11 | 1.6° | 0.0° |
| O7 | C3 | C2 | C1 | 179.7° | 180.0° |
| O7 | C3 | C4 | H2 | 0.4° | 0.0° |
| C3 | O7 | C8 | H4 | 72.3° | 60.0° |
| C3 | O7 | C8 | H5 | 50.0° | 60.0° |
| N18 | C19 | C14 | H10 | 180.0° | 179.6° |
| C19 | N18 | C17 | C16 | 5.2° | 0.3° |
| N18 | C19 | C14 | N12 | 179.2° | 179.7° |
| N18 | C19 | C14 | C15 | 2.2° | 0.5° |
| C19 | N18 | C17 | H9 | 174.8° | 179.8° |
| C17 | N18 | C19 | C14 | 4.8° | 0.5° |
| N18 | C17 | C16 | H9 | 180.0° | 179.9° |
| N18 | C17 | C16 | C15 | 3.3° | 0.0° |
| N18 | C17 | C16 | H8 | 176.7° | 180.0° |
| C17 | N18 | C19 | H10 | 175.2° | 179.9° |
| C19 | C14 | N12 | C15 | 178.4° | 179.8° |
| C19 | C14 | N12 | C11 | 169.9° | 145.3° |
| C19 | C14 | C15 | C16 | 0.4° | 0.2° |
| C19 | C14 | N12 | H6 | 10.1° | 34.8° |
| C19 | C14 | C15 | H7 | 179.6° | 179.8° |
| C17 | C16 | C15 | C14 | 1.0° | 0.1° |
| C17 | C16 | C15 | H8 | 180.0° | 180.0° |
| C17 | C16 | C15 | H7 | 179.0° | 180.0° |
| C3 | C4 | C5 | H2 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 1.5° | 0.2° |
| C4 | C3 | C2 | C11 | 177.4° | 180.0° |
| C4 | C3 | C2 | C1 | 0.8° | 0.0° |
| C3 | C4 | C5 | H3 | 178.5° | 180.0° |
| C5 | C4 | C3 | C2 | 1.5° | 0.0° |
| C4 | C5 | C6 | H3 | 180.0° | 179.8° |
| C4 | C5 | C6 | C1 | 0.8° | 0.5° |
| C4 | C5 | C6 | N10 | 176.1° | 180.0° |
| C3 | C2 | C11 | N12 | 12.3° | 180.0° |
| C3 | C2 | C11 | C1 | 178.2° | 179.9° |
| C3 | C2 | C11 | O13 | 167.9° | 0.0° |
| C3 | C2 | C1 | C6 | 0.2° | 0.3° |
| C3 | C2 | C1 | H1 | 179.8° | 180.0° |
| C2 | C3 | C4 | H2 | 178.5° | 180.0° |
| C14 | N12 | C11 | H6 | 180.0° | 179.9° |
| N12 | C14 | C15 | C16 | 178.9° | 180.0° |
| C14 | N12 | C11 | C2 | 163.9° | 175.3° |
| C14 | N12 | C11 | O13 | 16.3° | 4.7° |
| N12 | C14 | C15 | H7 | 1.1° | 0.0° |
| N12 | C14 | C19 | H10 | 0.8° | 0.2° |
| C15 | C14 | N12 | C11 | 8.6° | 34.9° |
| C14 | C15 | C16 | H7 | 180.0° | 179.9° |
| C15 | C14 | N12 | H6 | 171.4° | 145.0° |
| C14 | C15 | C16 | H8 | 179.0° | 180.0° |
| C15 | C14 | C19 | H10 | 177.8° | 180.0° |
| N12 | C11 | C2 | O13 | 179.8° | 180.0° |
| N12 | C11 | C2 | C1 | 165.8° | 0.0° |
| C15 | C16 | C17 | H9 | 176.7° | 179.9° |
| C5 | C6 | C1 | C2 | 0.2° | 0.5° |
| C5 | C6 | C1 | N10 | 176.9° | 179.5° |
| C5 | C6 | N10 | C29 | 3.1° | 0.0° |
| C5 | C6 | N10 | C25 | 160.6° | 123.8° |
| C5 | C6 | C1 | H1 | 179.8° | 179.8° |
| C6 | C5 | C4 | H2 | 178.5° | 179.7° |
| C11 | C2 | C1 | C6 | 178.1° | 179.7° |
| C11 | C2 | C1 | H1 | 1.9° | 0.0° |
| C2 | C11 | N12 | H6 | 16.0° | 4.7° |
| C1 | C2 | C11 | O13 | 13.9° | 180.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C2 | C1 | C6 | N10 | 176.7° | 179.9° |
| O13 | C11 | N12 | H6 | 163.7° | 175.2° |
| C1 | C6 | N10 | C29 | 173.8° | 179.5° |
| C1 | C6 | N10 | C25 | 16.2° | 56.7° |
| C1 | C6 | C5 | H3 | 179.2° | 179.7° |
| C6 | N10 | C29 | C25 | 157.3° | 123.9° |
| C6 | N10 | C29 | C28 | 160.4° | 176.8° |
| C6 | N10 | C25 | C26 | 160.7° | 176.8° |
| N10 | C6 | C1 | H1 | 3.3° | 0.2° |
| N10 | C6 | C5 | H3 | 3.9° | 0.2° |
| C6 | N10 | C25 | H16 | 79.0° | 63.2° |
| C6 | N10 | C25 | H17 | 40.3° | 56.8° |
| C6 | N10 | C29 | H23 | 40.2° | 56.9° |
| C6 | N10 | C29 | H24 | 79.3° | 63.2° |
| N10 | C29 | C28 | H23 | 120.2° | 119.9° |
| N10 | C29 | C28 | H24 | 120.2° | 120.0° |
| N10 | C29 | C28 | N27 | 52.7° | 58.4° |
| C29 | N10 | C25 | C26 | 41.2° | 59.3° |
| C29 | N10 | C25 | H16 | 79.1° | 60.6° |
| C29 | N10 | C25 | H17 | 161.5° | 179.3° |
| N10 | C29 | C28 | H21 | 67.5° | 178.3° |
| N10 | C29 | C28 | H22 | 172.8° | 61.6° |
| N10 | C29 | H23 | H24 | 119.4° | 120.1° |
| C25 | N10 | C29 | C28 | 42.2° | 59.3° |
| N10 | C25 | C26 | H16 | 120.3° | 119.9° |
| N10 | C25 | C26 | H17 | 120.3° | 120.0° |
| N10 | C25 | C26 | N27 | 50.4° | 58.4° |
| N10 | C25 | H16 | H17 | 119.1° | 120.0° |
| N10 | C25 | C26 | H18 | 170.3° | 178.3° |
| N10 | C25 | C26 | H19 | 69.5° | 61.6° |
| C25 | N10 | C29 | H23 | 162.4° | 179.3° |
| C25 | N10 | C29 | H24 | 78.0° | 60.7° |
| C29 | C28 | N27 | H21 | 120.2° | 119.9° |
| C29 | C28 | N27 | H22 | 120.2° | 120.0° |
| C29 | C28 | N27 | C26 | 66.4° | 59.4° |
| C29 | C28 | N27 | C30 | 173.7° | 176.8° |
| C29 | C28 | H21 | H22 | 119.6° | 120.1° |
| C28 | C29 | H23 | H24 | 119.4° | 120.1° |
| C28 | N27 | C26 | C25 | 64.1° | 59.3° |
| C28 | N27 | C26 | C30 | 122.2° | 123.8° |
| C28 | N27 | C26 | H18 | 175.9° | 179.3° |
| C28 | N27 | C26 | H19 | 55.8° | 60.6° |
| N27 | C28 | H21 | H22 | 119.6° | 120.1° |
| N27 | C28 | C29 | H23 | 172.9° | 178.4° |
| N27 | C28 | C29 | H24 | 67.6° | 61.5° |
| C28 | N27 | C30 | H25 | 180.0° | 63.8° |
| C28 | N27 | C30 | H26 | 60.0° | 56.2° |
| C28 | N27 | C30 | H27 | 60.0° | 176.2° |
| C25 | C26 | N27 | H18 | 119.9° | 120.0° |
| C25 | C26 | N27 | H19 | 119.9° | 119.9° |
| C25 | C26 | N27 | C30 | 173.7° | 176.8° |
| C26 | C25 | H16 | H17 | 119.1° | 120.1° |
| C25 | C26 | H18 | H19 | 120.3° | 120.0° |
| N27 | C26 | C25 | H16 | 69.9° | 61.6° |
| N27 | C26 | C25 | H17 | 170.7° | 178.4° |
| N27 | C26 | H18 | H19 | 120.2° | 120.1° |
| C26 | N27 | C28 | H21 | 53.7° | 179.3° |
| C26 | N27 | C28 | H22 | 173.4° | 60.7° |
| C26 | N27 | C30 | H25 | 59.1° | 60.0° |
| C26 | N27 | C30 | H26 | 61.0° | 180.0° |
| C26 | N27 | C30 | H27 | 179.0° | 60.0° |
| C30 | N27 | C26 | H18 | 53.8° | 56.9° |
| C30 | N27 | C26 | H19 | 66.4° | 63.2° |
| C30 | N27 | C28 | H21 | 66.2° | 56.9° |
| C30 | N27 | C28 | H22 | 53.5° | 63.2° |
| N27 | C30 | H25 | H26 | 120.0° | 120.0° |
| N27 | C30 | H25 | H27 | 120.0° | 120.0° |
| N27 | C30 | H26 | H27 | 120.0° | 120.0° |
| H2 | C4 | C5 | H3 | 1.5° | 0.1° |
| H7 | C15 | C16 | H8 | 1.0° | 0.0° |
| H8 | C16 | C17 | H9 | 3.3° | 0.0° |
| H11 | C20 | C21 | H12 | 1.5° | 0.0° |
| H12 | C21 | C22 | H13 | 1.6° | 0.0° |
| H13 | C22 | C23 | H14 | 1.5° | 0.0° |
| H14 | C23 | C24 | H15 | 1.3° | 0.3° |
| H16 | C25 | C26 | H18 | 50.0° | 58.4° |
| H16 | C25 | C26 | H19 | 170.1° | 178.5° |
| H17 | C25 | C26 | H18 | 69.3° | 61.6° |
| H17 | C25 | C26 | H19 | 50.8° | 58.4° |
| H21 | C28 | C29 | H23 | 52.7° | 61.7° |
| H21 | C28 | C29 | H24 | 172.3° | 58.4° |
| H22 | C28 | C29 | H23 | 67.0° | 58.3° |
| H22 | C28 | C29 | H24 | 52.6° | 178.4° |
| H25 | C30 | H26 | H27 | 120.0° | 120.0° |
