A1A8G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C7 | sing | 1.53Å | 1.56Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C5 | C4 | sing | 1.52Å | 1.55Å | |
| C3 | C4 | sing | 1.54Å | 1.56Å | |
| C3 | C2 | sing | 1.55Å | 1.59Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C4 | C9 | sing | 1.52Å | 1.54Å | |
| C4 | C10 | sing | 1.54Å | 1.57Å | |
| O1 | C1 | sing | 1.43Å | 1.40Å | |
| C1 | C2 | sing | 1.53Å | 1.57Å | |
| C10 | N1 | sing | 1.48Å | 1.48Å | |
| C2 | N1 | sing | 1.48Å | 1.49Å | |
| N1 | C11 | sing | 1.38Å | 1.45Å | |
| C11 | C14 | doub | 1.40Å | 1.43Å | Aromatic |
| C11 | N2 | sing | 1.33Å | 1.36Å | Aromatic |
| C15 | C14 | sing | 1.46Å | 1.45Å | Aromatic |
| C15 | C16 | doub | 1.34Å | 1.37Å | Aromatic |
| C14 | C13 | sing | 1.41Å | 1.40Å | Aromatic |
| N2 | C12 | doub | 1.32Å | 1.38Å | Aromatic |
| C16 | N4 | sing | 1.37Å | 1.42Å | Aromatic |
| C13 | N4 | sing | 1.37Å | 1.41Å | Aromatic |
| C13 | N3 | doub | 1.33Å | 1.37Å | Aromatic |
| C12 | N3 | sing | 1.31Å | 1.34Å | Aromatic |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| N4 | H22 | sing | 0.97Å | 1.00Å | |
| O1 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C6 | C5 | 116.2° | 109.4° |
| C6 | C7 | C8 | 116.4° | 109.6° |
| C7 | C6 | H9 | 107.7° | 109.5° |
| C7 | C6 | H10 | 107.8° | 109.5° |
| C6 | C7 | H11 | 107.7° | 109.4° |
| C6 | C7 | H12 | 107.7° | 109.4° |
| C6 | C5 | C4 | 116.8° | 109.6° |
| C5 | C6 | H9 | 107.8° | 109.5° |
| C5 | C6 | H10 | 107.8° | 109.5° |
| C6 | C5 | H8 | 107.6° | 109.4° |
| C6 | C5 | H7 | 107.6° | 109.4° |
| C7 | C8 | C9 | 115.8° | 109.4° |
| C8 | C7 | H11 | 107.7° | 109.5° |
| C8 | C7 | H12 | 107.7° | 109.4° |
| C7 | C8 | H14 | 107.9° | 109.5° |
| C7 | C8 | H13 | 107.9° | 109.5° |
| C5 | C4 | C3 | 107.8° | 110.2° |
| C5 | C4 | C9 | 105.1° | 111.2° |
| C5 | C4 | C10 | 127.5° | 110.6° |
| C4 | C5 | H8 | 107.6° | 109.5° |
| C4 | C5 | H7 | 107.6° | 109.5° |
| C4 | C3 | C2 | 107.6° | 101.6° |
| C3 | C4 | C9 | 116.6° | 110.2° |
| C3 | C4 | C10 | 100.6° | 103.7° |
| C4 | C3 | H6 | 109.9° | 110.9° |
| C4 | C3 | H5 | 109.9° | 111.0° |
| C3 | C2 | C1 | 110.9° | 110.4° |
| C3 | C2 | N1 | 107.1° | 104.9° |
| C2 | C3 | H6 | 109.9° | 111.0° |
| C2 | C3 | H5 | 110.0° | 111.0° |
| C3 | C2 | H1 | 109.0° | 110.3° |
| C8 | C9 | C4 | 113.9° | 109.6° |
| C8 | C9 | H15 | 108.3° | 109.5° |
| C8 | C9 | H16 | 108.3° | 109.4° |
| C9 | C8 | H14 | 107.9° | 109.5° |
| C9 | C8 | H13 | 107.9° | 109.5° |
| C9 | C4 | C10 | 100.1° | 110.7° |
| C4 | C9 | H15 | 108.3° | 109.4° |
| C4 | C9 | H16 | 108.4° | 109.5° |
| C4 | C10 | N1 | 110.9° | 107.1° |
| C4 | C10 | H18 | 109.1° | 110.0° |
| C4 | C10 | H17 | 109.1° | 110.1° |
| O1 | C1 | C2 | 106.4° | 109.5° |
| O1 | C1 | H3 | 110.3° | 109.5° |
| O1 | C1 | H4 | 110.2° | 109.4° |
| C1 | O1 | H2 | 109.5° | 114.0° |
| C1 | C2 | N1 | 110.2° | 110.4° |
| C2 | C1 | H3 | 110.2° | 109.5° |
| C2 | C1 | H4 | 110.3° | 109.4° |
| C1 | C2 | H1 | 109.2° | 110.3° |
| C10 | N1 | C2 | 107.8° | 108.5° |
| C10 | N1 | C11 | 121.7° | 111.1° |
| N1 | C10 | H18 | 109.1° | 109.9° |
| N1 | C10 | H17 | 109.1° | 109.9° |
| C2 | N1 | C11 | 124.0° | 111.0° |
| N1 | C2 | H1 | 110.4° | 110.4° |
| N1 | C11 | C14 | 120.4° | 120.8° |
| N1 | C11 | N2 | 120.5° | 120.9° |
| C14 | C11 | N2 | 119.1° | 118.4° |
| C11 | C14 | C15 | 141.2° | 135.2° |
| C11 | C14 | C13 | 113.7° | 118.6° |
| C11 | N2 | C12 | 119.9° | 121.0° |
| C14 | C15 | C16 | 109.1° | 106.8° |
| C15 | C14 | C13 | 105.1° | 106.2° |
| C14 | C15 | H20 | 125.4° | 126.6° |
| C15 | C16 | N4 | 108.9° | 109.8° |
| C16 | C15 | H20 | 125.4° | 126.6° |
| C15 | C16 | H21 | 125.5° | 125.1° |
| C14 | C13 | N4 | 110.7° | 107.2° |
| C14 | C13 | N3 | 129.6° | 118.5° |
| N2 | C12 | N3 | 126.4° | 122.7° |
| N2 | C12 | H19 | 116.8° | 118.6° |
| C16 | N4 | C13 | 106.2° | 110.0° |
| N4 | C16 | H21 | 125.5° | 125.1° |
| C16 | N4 | H22 | 126.9° | 125.0° |
| N4 | C13 | N3 | 119.7° | 134.3° |
| C13 | N4 | H22 | 126.9° | 125.0° |
| C13 | N3 | C12 | 111.2° | 120.8° |
| N3 | C12 | H19 | 116.8° | 118.6° |
| H6 | C3 | H5 | 109.5° | 110.9° |
| H9 | C6 | H10 | 109.4° | 109.5° |
| H15 | C9 | H16 | 109.5° | 109.5° |
| H3 | C1 | H4 | 109.4° | 109.4° |
| H18 | C10 | H17 | 109.5° | 109.9° |
| H8 | C5 | H7 | 109.5° | 109.5° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| H14 | C8 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C6 | C5 | H9 | 121.0° | 120.0° |
| C7 | C6 | C5 | H10 | 121.0° | 119.9° |
| C6 | C7 | C8 | H11 | 121.0° | 120.0° |
| C6 | C7 | C8 | H12 | 121.0° | 120.0° |
| C7 | C6 | C5 | C4 | 39.4° | 58.9° |
| C6 | C7 | C8 | C9 | 25.1° | 60.5° |
| C7 | C6 | H9 | H10 | 116.9° | 120.0° |
| C7 | C6 | C5 | H8 | 160.5° | 178.9° |
| C7 | C6 | C5 | H7 | 81.6° | 61.2° |
| C6 | C7 | H11 | H12 | 116.9° | 119.9° |
| C6 | C7 | C8 | H14 | 146.0° | 59.4° |
| C6 | C7 | C8 | H13 | 95.9° | 179.5° |
| C5 | C6 | C7 | C8 | 20.8° | 60.5° |
| C6 | C5 | C4 | H8 | 121.1° | 120.0° |
| C6 | C5 | C4 | H7 | 121.0° | 119.9° |
| C6 | C5 | C4 | C3 | 67.1° | 64.1° |
| C6 | C5 | C4 | C9 | 57.8° | 58.3° |
| C6 | C5 | C4 | C10 | 173.6° | 178.3° |
| C5 | C6 | H9 | H10 | 116.9° | 120.0° |
| C6 | C5 | H8 | H7 | 116.7° | 119.9° |
| C5 | C6 | C7 | H11 | 100.2° | 59.5° |
| C5 | C6 | C7 | H12 | 141.8° | 179.5° |
| C7 | C8 | C9 | H14 | 120.9° | 120.0° |
| C7 | C8 | C9 | H13 | 120.9° | 120.0° |
| C7 | C8 | C9 | C4 | 47.7° | 58.9° |
| C8 | C7 | C6 | H9 | 100.2° | 179.5° |
| C8 | C7 | C6 | H10 | 141.8° | 59.4° |
| C7 | C8 | C9 | H15 | 72.9° | 178.9° |
| C7 | C8 | C9 | H16 | 168.4° | 61.1° |
| C8 | C7 | H11 | H12 | 116.9° | 120.0° |
| C7 | C8 | H14 | H13 | 117.1° | 120.0° |
| C5 | C4 | C3 | C9 | 117.7° | 123.0° |
| C5 | C4 | C3 | C10 | 135.2° | 118.5° |
| C5 | C4 | C3 | C2 | 156.9° | 153.4° |
| C5 | C4 | C9 | C8 | 61.3° | 58.3° |
| C5 | C4 | C9 | C10 | 133.5° | 123.4° |
| C5 | C4 | C10 | N1 | 147.2° | 139.8° |
| C5 | C4 | C3 | H6 | 83.4° | 35.4° |
| C5 | C4 | C3 | H5 | 37.2° | 88.4° |
| C4 | C5 | C6 | H9 | 81.6° | 178.9° |
| C4 | C5 | C6 | H10 | 160.4° | 61.1° |
| C5 | C4 | C9 | H15 | 59.4° | 178.4° |
| C5 | C4 | C9 | H16 | 178.1° | 61.7° |
| C5 | C4 | C10 | H18 | 27.0° | 20.5° |
| C5 | C4 | C10 | H17 | 92.6° | 100.8° |
| C4 | C5 | H8 | H7 | 116.7° | 120.0° |
| C4 | C3 | C2 | H6 | 119.7° | 118.0° |
| C4 | C3 | C2 | H5 | 119.7° | 118.1° |
| C3 | C4 | C9 | C8 | 57.9° | 64.1° |
| C3 | C4 | C9 | C10 | 107.3° | 114.1° |
| C4 | C3 | C2 | C1 | 132.7° | 155.3° |
| C3 | C4 | C10 | N1 | 24.9° | 21.7° |
| C4 | C3 | C2 | N1 | 12.5° | 36.4° |
| C4 | C3 | H6 | H5 | 120.8° | 123.9° |
| C3 | C4 | C9 | H15 | 178.6° | 55.9° |
| C3 | C4 | C9 | H16 | 62.7° | 175.9° |
| C3 | C4 | C10 | H18 | 95.3° | 97.7° |
| C3 | C4 | C10 | H17 | 145.1° | 141.0° |
| C4 | C3 | C2 | H1 | 106.9° | 82.5° |
| C3 | C4 | C5 | H8 | 53.9° | 55.9° |
| C3 | C4 | C5 | H7 | 171.8° | 175.9° |
| C2 | C3 | C4 | C9 | 85.4° | 83.5° |
| C2 | C3 | C4 | C10 | 21.7° | 35.0° |
| C3 | C2 | C1 | O1 | 73.9° | 175.0° |
| C3 | C2 | C1 | N1 | 118.4° | 115.6° |
| C3 | C2 | C1 | H1 | 120.2° | 122.2° |
| C3 | C2 | N1 | C10 | 3.4° | 23.9° |
| C3 | C2 | N1 | H1 | 118.6° | 118.9° |
| C3 | C2 | N1 | C11 | 148.4° | 146.2° |
| C2 | C3 | H6 | H5 | 120.9° | 123.9° |
| C3 | C2 | C1 | H3 | 166.6° | 54.9° |
| C3 | C2 | C1 | H4 | 45.7° | 65.1° |
| C8 | C9 | C4 | H15 | 120.6° | 120.0° |
| C8 | C9 | C4 | H16 | 120.6° | 120.0° |
| C8 | C9 | C4 | C10 | 165.2° | 178.3° |
| C8 | C9 | H15 | H16 | 117.9° | 119.9° |
| C9 | C8 | C7 | H11 | 95.9° | 59.5° |
| C9 | C8 | C7 | H12 | 146.1° | 179.5° |
| C9 | C8 | H14 | H13 | 117.1° | 120.1° |
| C9 | C4 | C10 | N1 | 94.8° | 96.5° |
| C9 | C4 | C3 | H6 | 34.3° | 158.4° |
| C9 | C4 | C3 | H5 | 154.9° | 34.6° |
| C4 | C9 | H15 | H16 | 118.0° | 120.0° |
| C9 | C4 | C10 | H18 | 144.9° | 144.1° |
| C9 | C4 | C10 | H17 | 25.4° | 22.9° |
| C9 | C4 | C5 | H8 | 178.9° | 178.3° |
| C9 | C4 | C5 | H7 | 63.2° | 61.6° |
| C4 | C9 | C8 | H14 | 168.7° | 61.1° |
| C4 | C9 | C8 | H13 | 73.2° | 178.9° |
| C4 | C10 | N1 | H18 | 120.2° | 119.4° |
| C4 | C10 | N1 | H17 | 120.2° | 119.5° |
| C4 | C10 | N1 | C2 | 18.3° | 1.4° |
| C4 | C10 | N1 | C11 | 134.3° | 123.6° |
| C10 | C4 | C3 | H6 | 141.4° | 83.1° |
| C10 | C4 | C3 | H5 | 98.1° | 153.1° |
| C10 | C4 | C9 | H15 | 74.1° | 58.2° |
| C10 | C4 | C9 | H16 | 44.6° | 61.7° |
| C4 | C10 | H18 | H17 | 119.3° | 121.3° |
| C10 | C4 | C5 | H8 | 65.3° | 58.3° |
| C10 | C4 | C5 | H7 | 52.6° | 61.8° |
| O1 | C1 | C2 | H3 | 119.5° | 120.1° |
| O1 | C1 | C2 | H4 | 119.5° | 119.9° |
| O1 | C1 | C2 | N1 | 167.8° | 69.5° |
| O1 | C1 | H3 | H4 | 121.4° | 120.0° |
| O1 | C1 | C2 | H1 | 46.3° | 52.8° |
| C1 | C2 | N1 | C10 | 117.4° | 142.9° |
| C1 | C2 | N1 | H1 | 120.7° | 122.2° |
| C1 | C2 | N1 | C11 | 90.8° | 94.8° |
| C1 | C2 | C3 | H6 | 107.6° | 37.3° |
| C1 | C2 | C3 | H5 | 13.0° | 86.5° |
| C2 | C1 | H3 | H4 | 121.4° | 119.9° |
| C2 | C1 | O1 | H2 | 180.0° | 180.0° |
| C10 | N1 | C2 | C11 | 151.8° | 122.3° |
| C10 | N1 | C11 | C14 | 28.5° | 59.9° |
| C10 | N1 | C11 | N2 | 153.1° | 120.1° |
| N1 | C10 | H18 | H17 | 119.3° | 121.0° |
| C10 | N1 | C2 | H1 | 121.9° | 95.0° |
| C2 | N1 | C11 | C14 | 176.5° | 179.3° |
| C2 | N1 | C11 | N2 | 5.1° | 0.7° |
| N1 | C2 | C3 | H6 | 132.2° | 81.6° |
| N1 | C2 | C3 | H5 | 107.2° | 154.5° |
| N1 | C2 | C1 | H3 | 48.2° | 170.4° |
| N1 | C2 | C1 | H4 | 72.7° | 50.5° |
| C2 | N1 | C10 | H18 | 101.9° | 120.8° |
| C2 | N1 | C10 | H17 | 138.5° | 118.2° |
| N1 | C11 | C14 | N2 | 178.4° | 180.0° |
| N1 | C11 | C14 | C15 | 0.2° | 0.0° |
| N1 | C11 | C14 | C13 | 179.1° | 180.0° |
| N1 | C11 | N2 | C12 | 179.2° | 179.9° |
| C11 | N1 | C10 | H18 | 105.5° | 116.9° |
| C11 | N1 | C10 | H17 | 14.0° | 4.1° |
| C11 | N1 | C2 | H1 | 29.9° | 27.3° |
| C11 | C14 | C15 | C13 | 179.3° | 180.0° |
| C11 | C14 | C15 | C16 | 179.8° | 179.9° |
| C14 | C11 | N2 | C12 | 0.7° | 0.0° |
| C11 | C14 | C13 | N4 | 179.9° | 180.0° |
| C11 | C14 | C13 | N3 | 0.3° | 0.0° |
| C11 | C14 | C15 | H20 | 0.2° | 0.0° |
| N2 | C11 | C14 | C15 | 178.6° | 180.0° |
| N2 | C11 | C14 | C13 | 0.7° | 0.0° |
| C11 | N2 | C12 | N3 | 0.4° | 0.1° |
| C11 | N2 | C12 | H19 | 179.6° | 180.0° |
| C14 | C15 | C16 | H20 | 180.0° | 179.9° |
| C14 | C15 | C16 | N4 | 0.9° | 0.1° |
| C15 | C14 | C13 | N4 | 0.5° | 0.0° |
| C15 | C14 | C13 | N3 | 179.2° | 180.0° |
| C14 | C15 | C16 | H21 | 179.1° | 180.0° |
| C16 | C15 | C14 | C13 | 0.9° | 0.0° |
| C15 | C16 | N4 | H21 | 180.0° | 179.9° |
| C15 | C16 | N4 | C13 | 0.5° | 0.1° |
| C15 | C16 | N4 | H22 | 179.5° | 180.0° |
| C14 | C13 | N4 | C16 | 0.0° | 0.1° |
| C14 | C13 | N4 | N3 | 179.8° | 180.0° |
| C14 | C13 | N3 | C12 | 0.0° | 0.1° |
| C13 | C14 | C15 | H20 | 179.1° | 179.9° |
| C14 | C13 | N4 | H22 | 180.0° | 180.0° |
| N2 | C12 | N3 | C13 | 0.0° | 0.1° |
| N2 | C12 | N3 | H19 | 180.0° | 179.9° |
| C16 | N4 | C13 | H22 | 180.0° | 179.9° |
| C16 | N4 | C13 | N3 | 179.7° | 179.9° |
| N4 | C16 | C15 | H20 | 179.1° | 180.0° |
| N4 | C13 | N3 | C12 | 179.8° | 179.9° |
| C13 | N4 | C16 | H21 | 179.5° | 180.0° |
| C13 | N3 | C12 | H19 | 180.0° | 180.0° |
| N3 | C13 | N4 | H22 | 0.3° | 0.0° |
| H6 | C3 | C2 | H1 | 12.8° | 159.5° |
| H5 | C3 | C2 | H1 | 133.3° | 35.6° |
| H9 | C6 | C5 | H8 | 39.5° | 61.1° |
| H9 | C6 | C5 | H7 | 157.4° | 58.9° |
| H9 | C6 | C7 | H11 | 138.8° | 60.5° |
| H9 | C6 | C7 | H12 | 20.8° | 59.4° |
| H10 | C6 | C5 | H8 | 78.5° | 59.0° |
| H10 | C6 | C5 | H7 | 39.4° | 178.9° |
| H10 | C6 | C7 | H11 | 20.8° | 179.5° |
| H10 | C6 | C7 | H12 | 97.2° | 60.6° |
| H15 | C9 | C8 | H14 | 48.0° | 58.9° |
| H15 | C9 | C8 | H13 | 166.2° | 61.1° |
| H16 | C9 | C8 | H14 | 70.7° | 178.9° |
| H16 | C9 | C8 | H13 | 47.5° | 58.8° |
| H3 | C1 | C2 | H1 | 73.2° | 67.3° |
| H3 | C1 | O1 | H2 | 60.5° | 59.9° |
| H4 | C1 | C2 | H1 | 165.9° | 172.8° |
| H4 | C1 | O1 | H2 | 60.4° | 60.0° |
| H20 | C15 | C16 | H21 | 0.9° | 0.1° |
| H21 | C16 | N4 | H22 | 0.5° | 0.1° |
| H11 | C7 | C8 | H14 | 25.0° | 179.4° |
| H11 | C7 | C8 | H13 | 143.1° | 60.5° |
| H12 | C7 | C8 | H14 | 93.0° | 60.6° |
| H12 | C7 | C8 | H13 | 25.1° | 59.4° |
