AFQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | O16 | doub | 1.22Å | 1.22Å | |
| C2 | N3 | sing | 1.35Å | 1.36Å | |
| C2 | C1 | sing | 1.47Å | 1.51Å | |
| N3 | C4 | sing | 1.37Å | 1.37Å | |
| C4 | N17 | sing | 1.37Å | 1.36Å | |
| C4 | N5 | doub | 1.31Å | 1.29Å | |
| N5 | C6 | sing | 1.36Å | 1.37Å | |
| C6 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | C1 | sing | 1.42Å | 1.41Å | Aromatic |
| C10 | C18 | sing | 1.51Å | 1.52Å | |
| C10 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.57Å | |
| C19 | N20 | sing | 1.47Å | 1.49Å | |
| N20 | C21 | sing | 1.47Å | 1.50Å | |
| C21 | C22 | sing | 1.53Å | 1.56Å | |
| C22 | C26 | sing | 1.54Å | 1.54Å | |
| C22 | C23 | sing | 1.55Å | 1.55Å | |
| C26 | C25 | sing | 1.54Å | 1.55Å | |
| C25 | C24 | sing | 1.54Å | 1.57Å | |
| C24 | C23 | sing | 1.55Å | 1.54Å | |
| C9 | N11 | sing | 1.36Å | 1.35Å | Aromatic |
| C9 | C8 | doub | 1.41Å | 1.37Å | Aromatic |
| N11 | C12 | doub | 1.31Å | 1.28Å | Aromatic |
| C12 | N14 | sing | 1.38Å | 1.33Å | |
| C12 | N13 | sing | 1.36Å | 1.35Å | Aromatic |
| N14 | C15 | sing | 1.46Å | 1.45Å | |
| N13 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| N17 | HN17 | sing | 0.97Å | 1.00Å | |
| N17 | HN1A | sing | 0.97Å | 1.00Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| N20 | HN20 | sing | 1.01Å | 1.00Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| N14 | HN14 | sing | 0.97Å | 1.00Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| N13 | HN13 | sing | 0.97Å | 1.00Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O16 | C2 | N3 | 124.1° | 121.2° |
| O16 | C2 | C1 | 117.1° | 121.2° |
| N3 | C2 | C1 | 118.7° | 117.7° |
| C2 | N3 | C4 | 118.2° | 120.6° |
| C2 | N3 | HN3 | 120.9° | 119.8° |
| C2 | C1 | C6 | 117.9° | 118.1° |
| C2 | C1 | C7 | 120.0° | 121.5° |
| N3 | C4 | N17 | 116.8° | 118.4° |
| N3 | C4 | N5 | 123.4° | 123.1° |
| C4 | N3 | HN3 | 120.9° | 119.6° |
| N17 | C4 | N5 | 119.7° | 118.5° |
| C4 | N17 | HN17 | 109.2° | 120.0° |
| C4 | N17 | HN1A | 125.4° | 120.0° |
| C4 | N5 | C6 | 124.9° | 121.5° |
| N5 | C6 | C10 | 120.7° | 121.2° |
| N5 | C6 | C1 | 116.5° | 119.0° |
| C10 | C6 | C1 | 122.8° | 119.9° |
| C6 | C10 | C18 | 126.2° | 120.2° |
| C6 | C10 | C9 | 114.5° | 119.6° |
| C6 | C1 | C7 | 122.0° | 120.3° |
| C18 | C10 | C9 | 118.7° | 120.2° |
| C10 | C18 | C19 | 115.2° | 109.5° |
| C10 | C18 | H18 | 107.6° | 109.5° |
| C10 | C18 | H18A | 106.3° | 109.4° |
| C10 | C9 | N11 | 133.9° | 132.8° |
| C10 | C9 | C8 | 121.5° | 120.2° |
| C18 | C19 | N20 | 105.0° | 109.5° |
| C19 | C18 | H18 | 107.6° | 109.5° |
| C19 | C18 | H18A | 106.3° | 109.5° |
| C18 | C19 | H19 | 111.0° | 109.5° |
| C18 | C19 | H19A | 111.9° | 109.4° |
| C19 | N20 | C21 | 116.7° | 111.0° |
| N20 | C19 | H19 | 111.0° | 109.5° |
| N20 | C19 | H19A | 112.0° | 109.4° |
| C19 | N20 | HN20 | 107.1° | 111.0° |
| N20 | C21 | C22 | 108.4° | 109.5° |
| C21 | N20 | HN20 | 107.2° | 111.0° |
| N20 | C21 | H21 | 109.8° | 109.5° |
| N20 | C21 | H21A | 110.1° | 109.5° |
| C21 | C22 | C26 | 113.0° | 110.4° |
| C21 | C22 | C23 | 110.9° | 110.4° |
| C22 | C21 | H21 | 109.8° | 109.5° |
| C22 | C21 | H21A | 110.1° | 109.5° |
| C21 | C22 | H22 | 104.8° | 110.5° |
| C26 | C22 | C23 | 105.2° | 104.2° |
| C22 | C26 | C25 | 104.3° | 106.6° |
| C26 | C22 | H22 | 110.5° | 110.5° |
| C22 | C26 | H26 | 111.2° | 110.0° |
| C22 | C26 | H26A | 112.3° | 110.0° |
| C22 | C23 | C24 | 108.2° | 102.7° |
| C23 | C22 | H22 | 112.7° | 110.6° |
| C22 | C23 | H23 | 109.9° | 110.7° |
| C22 | C23 | H23A | 110.2° | 110.8° |
| C26 | C25 | C24 | 104.6° | 106.6° |
| C25 | C26 | H26 | 111.2° | 110.0° |
| C25 | C26 | H26A | 112.3° | 110.0° |
| C26 | C25 | H25 | 111.1° | 110.0° |
| C26 | C25 | H25A | 112.2° | 110.0° |
| C25 | C24 | C23 | 105.2° | 104.2° |
| C24 | C25 | H25 | 111.1° | 110.1° |
| C24 | C25 | H25A | 112.2° | 110.1° |
| C25 | C24 | H24 | 110.9° | 110.4° |
| C25 | C24 | H24A | 111.8° | 110.4° |
| C23 | C24 | H24 | 110.9° | 110.5° |
| C23 | C24 | H24A | 111.8° | 110.5° |
| C24 | C23 | H23 | 109.9° | 110.8° |
| C24 | C23 | H23A | 110.2° | 110.8° |
| N11 | C9 | C8 | 104.5° | 107.0° |
| C9 | N11 | C12 | 111.5° | 109.7° |
| C9 | C8 | N13 | 108.7° | 106.1° |
| C9 | C8 | C7 | 125.8° | 120.5° |
| N11 | C12 | N14 | 133.1° | 125.0° |
| N11 | C12 | N13 | 111.0° | 110.0° |
| N14 | C12 | N13 | 115.9° | 125.0° |
| C12 | N14 | C15 | 126.5° | 120.0° |
| C12 | N14 | HN14 | 104.2° | 120.0° |
| C12 | N13 | C8 | 104.1° | 107.2° |
| C12 | N13 | HN13 | 127.9° | 126.4° |
| C15 | N14 | HN14 | 104.1° | 120.0° |
| N14 | C15 | H15 | 109.5° | 109.5° |
| N14 | C15 | H15A | 109.5° | 109.4° |
| N14 | C15 | H15B | 109.5° | 109.5° |
| N13 | C8 | C7 | 125.4° | 133.4° |
| C8 | N13 | HN13 | 128.0° | 126.4° |
| C8 | C7 | C1 | 113.3° | 119.6° |
| C8 | C7 | H7 | 123.3° | 120.2° |
| C1 | C7 | H7 | 123.3° | 120.3° |
| HN17 | N17 | HN1A | 125.4° | 120.1° |
| H18 | C18 | H18A | 114.0° | 109.5° |
| H19 | C19 | H19A | 106.1° | 109.5° |
| H21 | C21 | H21A | 108.6° | 109.5° |
| H26 | C26 | H26A | 105.6° | 110.0° |
| H25 | C25 | H25A | 105.7° | 110.1° |
| H24 | C24 | H24A | 106.2° | 110.6° |
| H23 | C23 | H23A | 108.5° | 110.8° |
| H15 | C15 | H15A | 109.4° | 109.5° |
| H15 | C15 | H15B | 109.4° | 109.4° |
| H15A | C15 | H15B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | C2 | N3 | C1 | 177.5° | 179.7° |
| O16 | C2 | N3 | C4 | 176.0° | 180.0° |
| O16 | C2 | C1 | C6 | 179.0° | 179.8° |
| O16 | C2 | C1 | C7 | 3.6° | 0.5° |
| O16 | C2 | N3 | HN3 | 4.0° | 0.1° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.9° |
| C2 | N3 | C4 | N17 | 175.8° | 180.0° |
| C2 | N3 | C4 | N5 | 7.7° | 0.0° |
| N3 | C2 | C1 | C6 | 1.3° | 0.5° |
| N3 | C2 | C1 | C7 | 174.1° | 179.8° |
| C1 | C2 | N3 | C4 | 6.6° | 0.3° |
| C2 | C1 | C6 | N5 | 3.2° | 0.5° |
| C2 | C1 | C6 | C10 | 178.5° | 179.7° |
| C2 | C1 | C6 | C7 | 175.3° | 179.2° |
| C2 | C1 | C7 | C8 | 177.1° | 179.6° |
| C1 | C2 | N3 | HN3 | 173.4° | 179.8° |
| C2 | C1 | C7 | H7 | 2.9° | 0.5° |
| N3 | C4 | N17 | N5 | 176.6° | 180.0° |
| N3 | C4 | N5 | C6 | 3.0° | 0.0° |
| N3 | C4 | N17 | HN17 | 180.0° | 0.0° |
| N3 | C4 | N17 | HN1A | 0.0° | 180.0° |
| N17 | C4 | N5 | C6 | 179.3° | 180.0° |
| N17 | C4 | N3 | HN3 | 4.2° | 0.1° |
| C4 | N17 | HN17 | HN1A | 180.0° | 180.0° |
| C4 | N5 | C6 | C10 | 179.0° | 180.0° |
| C4 | N5 | C6 | C1 | 2.7° | 0.2° |
| N5 | C4 | N3 | HN3 | 172.3° | 180.0° |
| N5 | C4 | N17 | HN17 | 3.4° | 180.0° |
| N5 | C4 | N17 | HN1A | 176.6° | 0.0° |
| N5 | C6 | C10 | C1 | 178.2° | 179.8° |
| N5 | C6 | C10 | C18 | 9.7° | 0.1° |
| N5 | C6 | C10 | C9 | 179.2° | 180.0° |
| N5 | C6 | C1 | C7 | 178.5° | 179.7° |
| C6 | C10 | C18 | C9 | 170.8° | 179.9° |
| C6 | C10 | C18 | C19 | 101.5° | 89.9° |
| C6 | C10 | C9 | N11 | 175.3° | 180.0° |
| C6 | C10 | C9 | C8 | 1.1° | 0.1° |
| C10 | C6 | C1 | C7 | 3.2° | 0.5° |
| C6 | C10 | C18 | H18 | 18.5° | 150.1° |
| C6 | C10 | C18 | H18A | 141.1° | 30.0° |
| C1 | C6 | C10 | C18 | 168.5° | 179.7° |
| C1 | C6 | C10 | C9 | 2.6° | 0.2° |
| C6 | C1 | C7 | C8 | 1.9° | 0.4° |
| C6 | C1 | C7 | H7 | 178.1° | 179.7° |
| C10 | C18 | C19 | H18 | 120.0° | 120.0° |
| C10 | C18 | C19 | H18A | 117.4° | 120.0° |
| C10 | C18 | C19 | N20 | 159.6° | 180.0° |
| C18 | C10 | C9 | N11 | 12.8° | 0.1° |
| C18 | C10 | C9 | C8 | 170.7° | 180.0° |
| C10 | C18 | H18 | H18A | 117.7° | 120.0° |
| C10 | C18 | C19 | H19 | 39.6° | 60.0° |
| C10 | C18 | C19 | H19A | 78.7° | 60.1° |
| C9 | C10 | C18 | C19 | 69.3° | 90.0° |
| C10 | C9 | N11 | C8 | 176.9° | 179.9° |
| C10 | C9 | N11 | C12 | 179.6° | 180.0° |
| C10 | C9 | C8 | N13 | 179.5° | 180.0° |
| C10 | C9 | C8 | C7 | 0.1° | 0.1° |
| C9 | C10 | C18 | H18 | 170.7° | 30.0° |
| C9 | C10 | C18 | H18A | 48.1° | 150.1° |
| C18 | C19 | N20 | H19 | 120.0° | 120.0° |
| C18 | C19 | N20 | H19A | 121.7° | 119.9° |
| C18 | C19 | N20 | C21 | 61.5° | 180.0° |
| C19 | C18 | H18 | H18A | 117.6° | 120.0° |
| C18 | C19 | H19 | H19A | 121.8° | 120.0° |
| C18 | C19 | N20 | HN20 | 58.5° | 56.0° |
| C19 | N20 | C21 | HN20 | 120.0° | 124.0° |
| C19 | N20 | C21 | C22 | 167.3° | 180.0° |
| N20 | C19 | C18 | H18 | 80.4° | 60.0° |
| N20 | C19 | C18 | H18A | 42.1° | 60.0° |
| N20 | C19 | H19 | H19A | 121.8° | 120.0° |
| C19 | N20 | C21 | H21 | 72.7° | 60.0° |
| C19 | N20 | C21 | H21A | 46.9° | 60.0° |
| N20 | C21 | C22 | H21 | 120.0° | 120.0° |
| N20 | C21 | C22 | H21A | 120.4° | 120.0° |
| N20 | C21 | C22 | C26 | 76.8° | 175.0° |
| N20 | C21 | C22 | C23 | 165.3° | 70.3° |
| C21 | N20 | C19 | H19 | 178.5° | 60.0° |
| C21 | N20 | C19 | H19A | 60.2° | 60.1° |
| N20 | C21 | H21 | H21A | 120.5° | 120.0° |
| N20 | C21 | C22 | H22 | 43.5° | 52.4° |
| C21 | C22 | C26 | C23 | 121.1° | 118.6° |
| C21 | C22 | C26 | H22 | 117.0° | 122.5° |
| C21 | C22 | C23 | H22 | 117.1° | 122.6° |
| C21 | C22 | C26 | C25 | 152.9° | 142.3° |
| C21 | C22 | C23 | C24 | 138.4° | 156.6° |
| C22 | C21 | N20 | HN20 | 47.3° | 56.0° |
| C22 | C21 | H21 | H21A | 120.4° | 120.0° |
| C21 | C22 | C26 | H26 | 32.9° | 23.0° |
| C21 | C22 | C26 | H26A | 85.2° | 98.5° |
| C21 | C22 | C23 | H23 | 101.6° | 85.1° |
| C21 | C22 | C23 | H23A | 17.8° | 38.3° |
| C26 | C22 | C23 | H22 | 120.4° | 118.8° |
| C22 | C26 | C25 | H26 | 120.0° | 119.3° |
| C22 | C26 | C25 | H26A | 121.9° | 119.3° |
| C22 | C26 | C25 | C24 | 35.7° | 0.0° |
| C26 | C22 | C23 | C24 | 15.9° | 38.0° |
| C26 | C22 | C21 | H21 | 163.1° | 65.0° |
| C26 | C22 | C21 | H21A | 43.6° | 55.0° |
| C22 | C26 | H26 | H26A | 122.1° | 121.4° |
| C22 | C26 | C25 | H25 | 155.7° | 119.3° |
| C22 | C26 | C25 | H25A | 86.2° | 119.3° |
| C26 | C22 | C23 | H23 | 135.8° | 156.3° |
| C26 | C22 | C23 | H23A | 104.7° | 80.4° |
| C23 | C22 | C26 | C25 | 31.7° | 23.6° |
| C22 | C23 | C24 | C25 | 6.1° | 38.0° |
| C22 | C23 | C24 | H23 | 120.0° | 118.3° |
| C22 | C23 | C24 | H23A | 120.5° | 118.3° |
| C23 | C22 | C21 | H21 | 45.3° | 49.8° |
| C23 | C22 | C21 | H21A | 74.3° | 169.8° |
| C23 | C22 | C26 | H26 | 88.3° | 95.6° |
| C23 | C22 | C26 | H26A | 153.6° | 142.9° |
| C22 | C23 | C24 | H24 | 113.9° | 156.6° |
| C22 | C23 | C24 | H24A | 127.7° | 80.7° |
| C22 | C23 | H23 | H23A | 120.5° | 123.3° |
| C26 | C25 | C24 | H25 | 120.0° | 119.3° |
| C26 | C25 | C24 | H25A | 121.8° | 119.3° |
| C26 | C25 | C24 | C23 | 25.7° | 23.6° |
| C25 | C26 | C22 | H22 | 90.1° | 95.2° |
| C25 | C26 | H26 | H26A | 122.1° | 121.4° |
| C26 | C25 | H25 | H25A | 122.0° | 121.4° |
| C26 | C25 | C24 | H24 | 94.4° | 142.3° |
| C26 | C25 | C24 | H24A | 147.3° | 95.1° |
| C25 | C24 | C23 | H24 | 120.0° | 118.6° |
| C25 | C24 | C23 | H24A | 121.6° | 118.6° |
| C24 | C25 | C26 | H26 | 84.3° | 119.3° |
| C24 | C25 | C26 | H26A | 157.6° | 119.3° |
| C24 | C25 | H25 | H25A | 122.0° | 121.5° |
| C25 | C24 | H24 | H24A | 121.7° | 122.5° |
| C25 | C24 | C23 | H23 | 113.8° | 156.2° |
| C25 | C24 | C23 | H23A | 126.7° | 80.4° |
| C24 | C23 | C22 | H22 | 104.6° | 80.8° |
| C23 | C24 | C25 | H25 | 145.7° | 95.6° |
| C23 | C24 | C25 | H25A | 96.2° | 142.9° |
| C23 | C24 | H24 | H24A | 121.7° | 122.7° |
| C24 | C23 | H23 | H23A | 120.5° | 123.4° |
| C9 | N11 | C12 | N14 | 177.6° | 180.0° |
| C9 | N11 | C12 | N13 | 2.5° | 0.1° |
| N11 | C9 | C8 | N13 | 3.1° | 0.0° |
| N11 | C9 | C8 | C7 | 177.3° | 179.9° |
| C8 | C9 | N11 | C12 | 3.5° | 0.1° |
| C9 | C8 | N13 | C12 | 1.7° | 0.0° |
| C9 | C8 | N13 | C7 | 179.6° | 179.9° |
| C9 | C8 | C7 | C1 | 0.4° | 0.1° |
| C9 | C8 | N13 | HN13 | 178.3° | 179.9° |
| C9 | C8 | C7 | H7 | 179.5° | 180.0° |
| N11 | C12 | N14 | N13 | 179.8° | 179.9° |
| N11 | C12 | N14 | C15 | 1.7° | 180.0° |
| N11 | C12 | N13 | C8 | 0.5° | 0.1° |
| N11 | C12 | N14 | HN14 | 118.3° | 0.0° |
| N11 | C12 | N13 | HN13 | 179.5° | 180.0° |
| C12 | N14 | C15 | HN14 | 120.0° | 180.0° |
| N14 | C12 | N13 | C8 | 179.7° | 180.0° |
| C12 | N14 | C15 | H15 | 18.0° | 60.0° |
| C12 | N14 | C15 | H15A | 138.0° | 180.0° |
| C12 | N14 | C15 | H15B | 102.0° | 60.0° |
| N14 | C12 | N13 | HN13 | 0.3° | 0.1° |
| N13 | C12 | N14 | C15 | 178.4° | 0.0° |
| C12 | N13 | C8 | HN13 | 180.0° | 179.9° |
| C12 | N13 | C8 | C7 | 178.6° | 179.9° |
| N13 | C12 | N14 | HN14 | 61.6° | 180.0° |
| N14 | C15 | H15 | H15A | 120.0° | 120.0° |
| N14 | C15 | H15 | H15B | 120.0° | 120.0° |
| N14 | C15 | H15A | H15B | 120.0° | 120.0° |
| N13 | C8 | C7 | C1 | 179.1° | 179.7° |
| N13 | C8 | C7 | H7 | 0.9° | 0.2° |
| C8 | C7 | C1 | H7 | 180.0° | 179.9° |
| C7 | C8 | N13 | HN13 | 1.4° | 0.1° |
| H18 | C18 | C19 | H19 | 159.6° | 180.0° |
| H18 | C18 | C19 | H19A | 41.3° | 59.9° |
| H18A | C18 | C19 | H19 | 77.9° | 60.0° |
| H18A | C18 | C19 | H19A | 163.8° | 180.0° |
| H19 | C19 | N20 | HN20 | 61.5° | 176.0° |
| H19A | C19 | N20 | HN20 | 179.8° | 63.9° |
| HN20 | N20 | C21 | H21 | 167.3° | 176.0° |
| HN20 | N20 | C21 | H21A | 73.1° | 64.0° |
| H21 | C21 | C22 | H22 | 76.5° | 172.5° |
| H21A | C21 | C22 | H22 | 163.9° | 67.5° |
| H22 | C22 | C26 | H26 | 149.9° | 145.5° |
| H22 | C22 | C26 | H26A | 31.8° | 24.1° |
| H22 | C22 | C23 | H23 | 15.4° | 37.5° |
| H22 | C22 | C23 | H23A | 134.9° | 160.9° |
| H26 | C26 | C25 | H25 | 35.7° | 0.0° |
| H26 | C26 | C25 | H25A | 153.8° | 121.4° |
| H26A | C26 | C25 | H25 | 82.4° | 121.4° |
| H26A | C26 | C25 | H25A | 35.7° | 0.0° |
| H25 | C25 | C24 | H24 | 25.7° | 23.0° |
| H25 | C25 | C24 | H24A | 92.7° | 145.7° |
| H25A | C25 | C24 | H24 | 143.8° | 98.4° |
| H25A | C25 | C24 | H24A | 25.4° | 24.2° |
| H24 | C24 | C23 | H23 | 126.1° | 85.1° |
| H24 | C24 | C23 | H23A | 6.7° | 38.3° |
| H24A | C24 | C23 | H23 | 7.8° | 37.6° |
| H24A | C24 | C23 | H23A | 111.7° | 161.0° |
| HN14 | N14 | C15 | H15 | 102.0° | 120.0° |
| HN14 | N14 | C15 | H15A | 18.0° | 0.0° |
| HN14 | N14 | C15 | H15B | 138.0° | 120.0° |
| H15 | C15 | H15A | H15B | 120.0° | 120.0° |
