A1AZL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | sing | 1.54Å | 1.55Å | |
| C19 | N5 | sing | 1.47Å | 1.46Å | |
| C18 | N4 | sing | 1.47Å | 1.48Å | |
| N5 | C20 | sing | 1.47Å | 1.47Å | |
| N5 | C17 | sing | 1.37Å | 1.38Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C21 | N6 | sing | 1.47Å | 1.50Å | |
| N4 | C17 | doub | 1.29Å | 1.38Å | |
| C17 | C8 | sing | 1.48Å | 1.48Å | |
| C8 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | C7 | sing | 1.48Å | 1.51Å | |
| C7 | N3 | sing | 1.35Å | 1.39Å | |
| C7 | O1 | doub | 1.22Å | 1.22Å | |
| N3 | C4 | sing | 1.40Å | 1.42Å | |
| C5 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C1 | doub | 1.40Å | 1.42Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| C1 | C14 | sing | 1.48Å | 1.48Å | |
| N1 | C14 | doub | 1.29Å | 1.38Å | |
| N1 | C15 | sing | 1.47Å | 1.46Å | |
| C14 | N2 | sing | 1.37Å | 1.39Å | |
| C15 | C16 | sing | 1.54Å | 1.55Å | |
| N2 | C16 | sing | 1.47Å | 1.45Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N2 | H24 | sing | 0.97Å | 1.00Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| N3 | H26 | sing | 0.97Å | 1.00Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| N6 | H21 | sing | 1.01Å | 1.00Å | |
| N6 | H22 | sing | 1.01Å | 1.00Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C19 | N5 | 103.7° | 103.3° |
| C19 | C18 | N4 | 103.4° | 104.1° |
| C19 | C18 | H14 | 110.9° | 110.5° |
| C19 | C18 | H13 | 111.0° | 110.7° |
| C18 | C19 | H15 | 110.9° | 110.6° |
| C18 | C19 | H16 | 110.9° | 110.7° |
| C19 | N5 | C20 | 119.5° | 125.9° |
| C19 | N5 | C17 | 110.1° | 108.3° |
| N5 | C19 | H15 | 110.9° | 110.6° |
| N5 | C19 | H16 | 110.9° | 110.7° |
| C18 | N4 | C17 | 110.5° | 110.1° |
| N4 | C18 | H14 | 111.0° | 110.5° |
| N4 | C18 | H13 | 111.0° | 110.5° |
| C20 | N5 | C17 | 123.8° | 125.8° |
| N5 | C20 | C21 | 111.1° | 109.5° |
| N5 | C20 | H17 | 109.1° | 109.4° |
| N5 | C20 | H18 | 109.1° | 109.5° |
| N5 | C17 | N4 | 109.7° | 114.2° |
| N5 | C17 | C8 | 117.6° | 122.9° |
| C20 | C21 | N6 | 112.9° | 109.5° |
| C21 | C20 | H17 | 109.0° | 109.5° |
| C21 | C20 | H18 | 109.1° | 109.5° |
| C20 | C21 | H20 | 108.6° | 109.5° |
| C20 | C21 | H19 | 108.6° | 109.5° |
| C21 | N6 | H21 | 109.5° | 111.0° |
| C21 | N6 | H22 | 109.5° | 111.0° |
| N6 | C21 | H20 | 108.6° | 109.4° |
| N6 | C21 | H19 | 108.6° | 109.5° |
| N4 | C17 | C8 | 118.9° | 122.9° |
| C17 | C8 | C9 | 120.9° | 120.0° |
| C17 | C8 | C13 | 119.4° | 120.0° |
| C9 | C8 | C13 | 119.6° | 120.0° |
| C8 | C9 | C10 | 120.8° | 120.0° |
| C8 | C9 | H8 | 119.6° | 120.0° |
| C8 | C13 | C12 | 119.5° | 120.0° |
| C8 | C13 | H7 | 120.2° | 120.0° |
| C9 | C10 | C11 | 119.8° | 119.9° |
| C10 | C9 | H8 | 119.6° | 120.0° |
| C9 | C10 | H6 | 120.1° | 120.0° |
| C13 | C12 | C11 | 121.1° | 120.0° |
| C13 | C12 | H5 | 119.4° | 120.0° |
| C12 | C13 | H7 | 120.3° | 120.0° |
| C10 | C11 | C12 | 119.0° | 120.0° |
| C10 | C11 | C7 | 121.6° | 120.0° |
| C11 | C10 | H6 | 120.1° | 120.1° |
| C12 | C11 | C7 | 119.3° | 120.0° |
| C11 | C12 | H5 | 119.4° | 120.0° |
| C11 | C7 | N3 | 116.8° | 120.0° |
| C11 | C7 | O1 | 121.7° | 120.0° |
| N3 | C7 | O1 | 121.5° | 120.0° |
| C7 | N3 | C4 | 125.0° | 120.0° |
| C7 | N3 | H26 | 117.5° | 120.0° |
| N3 | C4 | C5 | 118.8° | 120.0° |
| N3 | C4 | C3 | 121.0° | 119.9° |
| C4 | N3 | H26 | 117.5° | 120.0° |
| C4 | C5 | C6 | 119.7° | 120.0° |
| C5 | C4 | C3 | 120.2° | 120.1° |
| C4 | C5 | H3 | 120.1° | 120.0° |
| C5 | C6 | C1 | 120.5° | 120.0° |
| C6 | C5 | H3 | 120.1° | 120.0° |
| C5 | C6 | H1 | 119.7° | 120.0° |
| C4 | C3 | C2 | 120.2° | 120.1° |
| C4 | C3 | H4 | 119.9° | 119.9° |
| C6 | C1 | C2 | 118.6° | 119.9° |
| C6 | C1 | C14 | 119.4° | 120.1° |
| C1 | C6 | H1 | 119.7° | 120.0° |
| C3 | C2 | C1 | 120.7° | 119.9° |
| C3 | C2 | H2 | 119.7° | 120.0° |
| C2 | C3 | H4 | 119.9° | 120.0° |
| C2 | C1 | C14 | 121.9° | 120.0° |
| C1 | C2 | H2 | 119.7° | 120.1° |
| C1 | C14 | N1 | 120.1° | 122.9° |
| C1 | C14 | N2 | 119.6° | 122.9° |
| C14 | N1 | C15 | 110.4° | 110.1° |
| N1 | C14 | N2 | 109.9° | 114.2° |
| N1 | C15 | C16 | 104.6° | 104.1° |
| N1 | C15 | H12 | 110.7° | 110.5° |
| N1 | C15 | H11 | 110.7° | 110.5° |
| C14 | N2 | C16 | 111.3° | 108.3° |
| C14 | N2 | H24 | 124.3° | 125.9° |
| C15 | C16 | N2 | 103.7° | 103.3° |
| C16 | C15 | H12 | 110.7° | 110.6° |
| C16 | C15 | H11 | 110.7° | 110.5° |
| C15 | C16 | H10 | 110.9° | 110.7° |
| C15 | C16 | H9 | 110.9° | 110.7° |
| C16 | N2 | H24 | 124.4° | 125.8° |
| N2 | C16 | H10 | 110.9° | 110.6° |
| N2 | C16 | H9 | 110.9° | 110.7° |
| H21 | N6 | H22 | 109.5° | 111.0° |
| H12 | C15 | H11 | 109.4° | 110.5° |
| H10 | C16 | H9 | 109.5° | 110.7° |
| H14 | C18 | H13 | 109.5° | 110.5° |
| H15 | C19 | H16 | 109.5° | 110.7° |
| H17 | C20 | H18 | 109.5° | 109.5° |
| H20 | C21 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C19 | N5 | H15 | 119.1° | 118.4° |
| C18 | C19 | N5 | H16 | 119.1° | 118.5° |
| C19 | C18 | N4 | H14 | 119.0° | 118.6° |
| C19 | C18 | N4 | H13 | 119.0° | 118.8° |
| C18 | C19 | N5 | C20 | 168.5° | 180.0° |
| C18 | C19 | N5 | C17 | 15.9° | 0.1° |
| C19 | C18 | N4 | C17 | 6.6° | 0.0° |
| C19 | C18 | H14 | H13 | 122.8° | 122.8° |
| C18 | C19 | H15 | H16 | 122.7° | 123.1° |
| N5 | C19 | C18 | N4 | 13.1° | 0.0° |
| C19 | N5 | C20 | C17 | 148.7° | 179.9° |
| C19 | N5 | C20 | C21 | 89.3° | 84.7° |
| C19 | N5 | C17 | N4 | 12.5° | 0.1° |
| C19 | N5 | C17 | C8 | 152.6° | 180.0° |
| N5 | C19 | C18 | H14 | 105.9° | 118.6° |
| N5 | C19 | C18 | H13 | 132.2° | 118.7° |
| N5 | C19 | H15 | H16 | 122.6° | 123.1° |
| C19 | N5 | C20 | H17 | 31.0° | 35.3° |
| C19 | N5 | C20 | H18 | 150.5° | 155.3° |
| C18 | N4 | C17 | N5 | 3.2° | 0.0° |
| C18 | N4 | C17 | C8 | 142.7° | 180.0° |
| N4 | C18 | H14 | H13 | 122.8° | 122.6° |
| N4 | C18 | C19 | H15 | 105.9° | 118.5° |
| N4 | C18 | C19 | H16 | 132.2° | 118.5° |
| N5 | C20 | C21 | H17 | 120.2° | 120.0° |
| N5 | C20 | C21 | H18 | 120.2° | 120.0° |
| N5 | C20 | C21 | N6 | 177.3° | 180.0° |
| C20 | N5 | C17 | N4 | 163.7° | 180.0° |
| C20 | N5 | C17 | C8 | 56.2° | 0.1° |
| C20 | N5 | C19 | H15 | 49.5° | 61.6° |
| C20 | N5 | C19 | H16 | 72.4° | 61.5° |
| N5 | C20 | H17 | H18 | 119.3° | 120.0° |
| N5 | C20 | C21 | H20 | 56.7° | 60.0° |
| N5 | C20 | C21 | H19 | 62.2° | 60.0° |
| C17 | N5 | C20 | C21 | 59.4° | 95.2° |
| N5 | C17 | N4 | C8 | 139.5° | 179.9° |
| N5 | C17 | C8 | C9 | 67.7° | 43.5° |
| N5 | C17 | C8 | C13 | 111.9° | 136.8° |
| C17 | N5 | C19 | H15 | 103.1° | 118.5° |
| C17 | N5 | C19 | H16 | 135.0° | 118.4° |
| C17 | N5 | C20 | H17 | 179.6° | 144.8° |
| C17 | N5 | C20 | H18 | 60.8° | 24.8° |
| C20 | C21 | N6 | H20 | 120.5° | 120.0° |
| C20 | C21 | N6 | H19 | 120.5° | 120.0° |
| C20 | C21 | N6 | H21 | 180.0° | 56.1° |
| C20 | C21 | N6 | H22 | 60.0° | 180.0° |
| C21 | C20 | H17 | H18 | 119.3° | 120.1° |
| C20 | C21 | H20 | H19 | 118.4° | 120.1° |
| C21 | N6 | H21 | H22 | 120.0° | 123.9° |
| N6 | C21 | C20 | H17 | 62.5° | 60.0° |
| N6 | C21 | C20 | H18 | 57.0° | 60.0° |
| N6 | C21 | H20 | H19 | 118.4° | 120.0° |
| N4 | C17 | C8 | C9 | 68.7° | 136.4° |
| N4 | C17 | C8 | C13 | 111.7° | 43.3° |
| C17 | N4 | C18 | H14 | 112.4° | 118.6° |
| C17 | N4 | C18 | H13 | 125.6° | 118.8° |
| C17 | C8 | C9 | C13 | 179.6° | 179.7° |
| C17 | C8 | C9 | C10 | 174.3° | 179.7° |
| C17 | C8 | C13 | C12 | 175.5° | 179.7° |
| C17 | C8 | C9 | H8 | 5.7° | 0.3° |
| C17 | C8 | C13 | H7 | 4.5° | 0.2° |
| C8 | C9 | C10 | H8 | 180.0° | 180.0° |
| C9 | C8 | C13 | C12 | 4.1° | 0.0° |
| C8 | C9 | C10 | C11 | 2.6° | 0.0° |
| C8 | C9 | C10 | H6 | 177.4° | 180.0° |
| C9 | C8 | C13 | H7 | 175.9° | 180.0° |
| C13 | C8 | C9 | C10 | 5.3° | 0.0° |
| C8 | C13 | C12 | H7 | 180.0° | 179.9° |
| C8 | C13 | C12 | C11 | 0.1° | 0.1° |
| C13 | C8 | C9 | H8 | 174.7° | 180.0° |
| C8 | C13 | C12 | H5 | 179.9° | 180.0° |
| C9 | C10 | C11 | H6 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 1.4° | 0.0° |
| C9 | C10 | C11 | C7 | 175.4° | 180.0° |
| C13 | C12 | C11 | C10 | 2.6° | 0.1° |
| C13 | C12 | C11 | H5 | 180.0° | 179.9° |
| C13 | C12 | C11 | C7 | 174.3° | 180.0° |
| C10 | C11 | C12 | C7 | 176.9° | 180.0° |
| C10 | C11 | C7 | N3 | 1.1° | 180.0° |
| C10 | C11 | C7 | O1 | 178.2° | 0.0° |
| C11 | C10 | C9 | H8 | 177.4° | 180.0° |
| C10 | C11 | C12 | H5 | 177.4° | 180.0° |
| C12 | C11 | C7 | N3 | 177.8° | 0.0° |
| C12 | C11 | C7 | O1 | 1.4° | 180.0° |
| C12 | C11 | C10 | H6 | 178.6° | 180.0° |
| C11 | C12 | C13 | H7 | 179.9° | 180.0° |
| C11 | C7 | N3 | O1 | 179.2° | 180.0° |
| C11 | C7 | N3 | C4 | 172.3° | 174.5° |
| C11 | C7 | N3 | H26 | 7.7° | 5.5° |
| C7 | C11 | C10 | H6 | 4.6° | 0.0° |
| C7 | C11 | C12 | H5 | 5.7° | 0.0° |
| C7 | N3 | C4 | H26 | 180.0° | 180.0° |
| C7 | N3 | C4 | C5 | 116.2° | 146.5° |
| C7 | N3 | C4 | C3 | 61.9° | 33.4° |
| O1 | C7 | N3 | C4 | 6.9° | 5.5° |
| O1 | C7 | N3 | H26 | 173.1° | 174.5° |
| N3 | C4 | C5 | C3 | 178.1° | 180.0° |
| N3 | C4 | C5 | C6 | 176.9° | 179.7° |
| N3 | C4 | C3 | C2 | 178.5° | 180.0° |
| N3 | C4 | C3 | H4 | 1.5° | 0.0° |
| N3 | C4 | C5 | H3 | 3.1° | 0.0° |
| C4 | C5 | C6 | H3 | 180.0° | 179.7° |
| C4 | C5 | C6 | C1 | 1.2° | 0.5° |
| C5 | C4 | C3 | C2 | 0.4° | 0.0° |
| C5 | C4 | C3 | H4 | 179.6° | 180.0° |
| C5 | C4 | N3 | H26 | 63.9° | 33.5° |
| C4 | C5 | C6 | H1 | 178.8° | 180.0° |
| C6 | C5 | C4 | C3 | 1.2° | 0.3° |
| C5 | C6 | C1 | H1 | 180.0° | 179.5° |
| C5 | C6 | C1 | C2 | 0.4° | 0.5° |
| C5 | C6 | C1 | C14 | 175.6° | 179.7° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 2.1° | 0.0° |
| C4 | C3 | C2 | H2 | 177.9° | 180.0° |
| C3 | C4 | N3 | H26 | 118.0° | 146.6° |
| C3 | C4 | C5 | H3 | 178.8° | 180.0° |
| C6 | C1 | C2 | C3 | 2.1° | 0.3° |
| C6 | C1 | C2 | C14 | 175.9° | 179.7° |
| C6 | C1 | C14 | N1 | 33.9° | 179.7° |
| C6 | C1 | C14 | N2 | 175.4° | 0.3° |
| C6 | C1 | C2 | H2 | 177.9° | 179.8° |
| C1 | C6 | C5 | H3 | 178.8° | 179.7° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | C14 | 173.8° | 180.0° |
| C2 | C1 | C14 | N1 | 141.9° | 0.0° |
| C2 | C1 | C14 | N2 | 0.5° | 180.0° |
| C1 | C2 | C3 | H4 | 177.9° | 180.0° |
| C2 | C1 | C6 | H1 | 179.6° | 180.0° |
| C1 | C14 | N1 | N2 | 144.8° | 180.0° |
| C1 | C14 | N1 | C15 | 145.1° | 180.0° |
| C1 | C14 | N2 | C16 | 144.0° | 180.0° |
| C14 | C1 | C2 | H2 | 6.2° | 0.1° |
| C1 | C14 | N2 | H24 | 36.0° | 0.0° |
| C14 | C1 | C6 | H1 | 4.4° | 0.3° |
| C14 | N1 | C15 | C16 | 1.3° | 0.0° |
| N1 | C14 | N2 | C16 | 1.0° | 0.0° |
| N1 | C14 | N2 | H24 | 179.0° | 180.0° |
| C14 | N1 | C15 | H12 | 120.5° | 118.7° |
| C14 | N1 | C15 | H11 | 117.9° | 118.6° |
| C15 | N1 | C14 | N2 | 0.3° | 0.0° |
| N1 | C15 | C16 | H12 | 119.3° | 118.7° |
| N1 | C15 | C16 | H11 | 119.2° | 118.7° |
| N1 | C15 | C16 | N2 | 1.8° | 0.0° |
| N1 | C15 | H12 | H11 | 122.3° | 122.7° |
| N1 | C15 | C16 | H10 | 117.3° | 118.5° |
| N1 | C15 | C16 | H9 | 120.9° | 118.5° |
| C14 | N2 | C16 | C15 | 1.7° | 0.0° |
| C14 | N2 | C16 | H24 | 180.0° | 180.0° |
| C14 | N2 | C16 | H10 | 117.4° | 118.5° |
| C14 | N2 | C16 | H9 | 120.8° | 118.5° |
| C15 | C16 | N2 | H10 | 119.1° | 118.5° |
| C15 | C16 | N2 | H9 | 119.1° | 118.5° |
| C15 | C16 | N2 | H24 | 178.3° | 180.0° |
| C16 | C15 | H12 | H11 | 122.2° | 122.7° |
| C15 | C16 | H10 | H9 | 122.6° | 123.1° |
| N2 | C16 | C15 | H12 | 121.0° | 118.7° |
| N2 | C16 | C15 | H11 | 117.4° | 118.7° |
| N2 | C16 | H10 | H9 | 122.7° | 123.0° |
| H2 | C2 | C3 | H4 | 2.1° | 0.1° |
| H24 | N2 | C16 | H10 | 62.6° | 61.5° |
| H24 | N2 | C16 | H9 | 59.2° | 61.5° |
| H3 | C5 | C6 | H1 | 1.2° | 0.2° |
| H21 | N6 | C21 | H20 | 59.5° | 176.1° |
| H21 | N6 | C21 | H19 | 59.5° | 64.0° |
| H22 | N6 | C21 | H20 | 179.5° | 60.0° |
| H22 | N6 | C21 | H19 | 60.5° | 60.0° |
| H8 | C9 | C10 | H6 | 2.6° | 0.0° |
| H5 | C12 | C13 | H7 | 0.1° | 0.1° |
| H12 | C15 | C16 | H10 | 2.0° | 122.9° |
| H12 | C15 | C16 | H9 | 119.8° | 0.2° |
| H11 | C15 | C16 | H10 | 123.5° | 0.2° |
| H11 | C15 | C16 | H9 | 1.7° | 122.9° |
| H14 | C18 | C19 | H15 | 135.0° | 122.9° |
| H14 | C18 | C19 | H16 | 13.2° | 0.1° |
| H13 | C18 | C19 | H15 | 13.1° | 0.2° |
| H13 | C18 | C19 | H16 | 108.7° | 122.8° |
| H17 | C20 | C21 | H20 | 177.0° | 59.9° |
| H17 | C20 | C21 | H19 | 58.0° | 180.0° |
| H18 | C20 | C21 | H20 | 63.5° | 180.0° |
| H18 | C20 | C21 | H19 | 177.5° | 59.9° |
