A1A0N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C04 | sing | 1.51Å | 1.51Å | |
| C04 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.40Å | Aromatic |
| C05 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C02 | N02 | sing | 1.39Å | 1.35Å | |
| C02 | N01 | doub | 1.32Å | 1.35Å | Aromatic |
| C06 | N01 | sing | 1.33Å | 1.35Å | Aromatic |
| C06 | C11 | sing | 1.48Å | 1.48Å | |
| C11 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | C16 | sing | 1.39Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | CL13 | sing | 1.74Å | 1.80Å | |
| C13 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | C17 | sing | 1.51Å | 1.53Å | |
| C17 | N18 | sing | 1.47Å | 1.47Å | |
| C19 | N18 | sing | 1.47Å | 1.47Å | |
| N18 | C20 | sing | 1.47Å | 1.48Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C07 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| N02 | H17 | sing | 0.97Å | 1.00Å | |
| N02 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C04 | C03 | 121.1° | 120.7° |
| C07 | C04 | C05 | 119.9° | 120.7° |
| C04 | C07 | H4 | 109.5° | 109.5° |
| C04 | C07 | H5 | 109.5° | 109.5° |
| C04 | C07 | H6 | 109.5° | 109.4° |
| C03 | C04 | C05 | 119.1° | 118.6° |
| C04 | C03 | C02 | 119.8° | 119.3° |
| C04 | C03 | H2 | 120.1° | 120.4° |
| C04 | C05 | C06 | 119.0° | 119.2° |
| C04 | C05 | H3 | 120.5° | 120.4° |
| C03 | C02 | N02 | 119.5° | 119.7° |
| C03 | C02 | N01 | 120.4° | 120.7° |
| C02 | C03 | H2 | 120.1° | 120.4° |
| C05 | C06 | N01 | 121.3° | 120.6° |
| C05 | C06 | C11 | 118.8° | 119.7° |
| C06 | C05 | H3 | 120.5° | 120.4° |
| N02 | C02 | N01 | 120.1° | 119.6° |
| C02 | N02 | H17 | 109.5° | 120.0° |
| C02 | N02 | H18 | 109.5° | 120.0° |
| C02 | N01 | C06 | 120.4° | 121.5° |
| N01 | C06 | C11 | 119.7° | 119.7° |
| C06 | C11 | C12 | 122.8° | 120.1° |
| C06 | C11 | C16 | 116.7° | 120.1° |
| C12 | C11 | C16 | 120.4° | 119.8° |
| C11 | C12 | C13 | 119.4° | 119.9° |
| C11 | C12 | H1 | 120.3° | 120.1° |
| C11 | C16 | C15 | 121.7° | 119.9° |
| C11 | C16 | H8 | 119.1° | 120.0° |
| C12 | C13 | CL13 | 116.4° | 120.0° |
| C12 | C13 | C14 | 120.5° | 120.1° |
| C13 | C12 | H1 | 120.3° | 120.1° |
| C16 | C15 | C14 | 118.8° | 120.1° |
| C16 | C15 | C17 | 114.6° | 120.0° |
| C15 | C16 | H8 | 119.2° | 120.0° |
| CL13 | C13 | C14 | 123.1° | 119.9° |
| C13 | C14 | C15 | 119.2° | 120.2° |
| C13 | C14 | H7 | 120.4° | 119.9° |
| C14 | C15 | C17 | 126.6° | 119.9° |
| C15 | C14 | H7 | 120.4° | 119.9° |
| C15 | C17 | N18 | 116.1° | 109.5° |
| C15 | C17 | H9 | 107.8° | 109.4° |
| C15 | C17 | H10 | 107.8° | 109.5° |
| C17 | N18 | C19 | 108.3° | 111.0° |
| C17 | N18 | C20 | 108.9° | 111.0° |
| N18 | C17 | H9 | 107.8° | 109.5° |
| N18 | C17 | H10 | 107.8° | 109.5° |
| C19 | N18 | C20 | 110.3° | 111.0° |
| N18 | C19 | H11 | 109.5° | 109.5° |
| N18 | C19 | H12 | 109.5° | 109.5° |
| N18 | C19 | H13 | 109.5° | 109.5° |
| N18 | C20 | H14 | 109.5° | 109.5° |
| N18 | C20 | H15 | 109.5° | 109.5° |
| N18 | C20 | H16 | 109.4° | 109.5° |
| H4 | C07 | H5 | 109.5° | 109.5° |
| H4 | C07 | H6 | 109.5° | 109.5° |
| H5 | C07 | H6 | 109.4° | 109.4° |
| H9 | C17 | H10 | 109.5° | 109.4° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| H11 | C19 | H13 | 109.5° | 109.5° |
| H12 | C19 | H13 | 109.4° | 109.5° |
| H14 | C20 | H15 | 109.5° | 109.5° |
| H14 | C20 | H16 | 109.4° | 109.4° |
| H15 | C20 | H16 | 109.5° | 109.5° |
| H17 | N02 | H18 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C04 | C03 | C05 | 179.3° | 180.0° |
| C07 | C04 | C03 | C02 | 180.0° | 180.0° |
| C07 | C04 | C05 | C06 | 179.1° | 180.0° |
| C07 | C04 | C03 | H2 | 0.0° | 0.1° |
| C07 | C04 | C05 | H3 | 0.9° | 0.0° |
| C04 | C07 | H4 | H5 | 120.0° | 120.1° |
| C04 | C07 | H4 | H6 | 120.0° | 120.0° |
| C04 | C07 | H5 | H6 | 120.0° | 120.0° |
| C04 | C03 | C02 | H2 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.2° | 0.0° |
| C04 | C03 | C02 | N02 | 179.6° | 180.0° |
| C04 | C03 | C02 | N01 | 0.4° | 0.3° |
| C03 | C04 | C05 | H3 | 179.8° | 180.0° |
| C03 | C04 | C07 | H4 | 90.4° | 90.0° |
| C03 | C04 | C07 | H5 | 149.6° | 150.0° |
| C03 | C04 | C07 | H6 | 29.7° | 30.0° |
| C05 | C04 | C03 | C02 | 0.7° | 0.0° |
| C04 | C05 | C06 | H3 | 180.0° | 180.0° |
| C04 | C05 | C06 | N01 | 2.2° | 0.3° |
| C04 | C05 | C06 | C11 | 177.4° | 180.0° |
| C05 | C04 | C03 | H2 | 179.3° | 180.0° |
| C05 | C04 | C07 | H4 | 90.3° | 90.0° |
| C05 | C04 | C07 | H5 | 29.7° | 30.0° |
| C05 | C04 | C07 | H6 | 149.6° | 150.0° |
| C03 | C02 | N02 | N01 | 179.3° | 179.7° |
| C03 | C02 | N01 | C06 | 2.3° | 0.6° |
| C03 | C02 | N02 | H17 | 179.3° | 179.7° |
| C03 | C02 | N02 | H18 | 59.3° | 0.2° |
| C05 | C06 | N01 | C02 | 3.2° | 0.5° |
| C05 | C06 | N01 | C11 | 175.2° | 179.7° |
| C05 | C06 | C11 | C12 | 42.1° | 5.0° |
| C05 | C06 | C11 | C16 | 134.5° | 174.7° |
| N02 | C02 | N01 | C06 | 178.4° | 179.7° |
| N02 | C02 | C03 | H2 | 0.4° | 0.0° |
| C02 | N02 | H17 | H18 | 120.0° | 179.9° |
| C02 | N01 | C06 | C11 | 178.5° | 179.7° |
| N01 | C02 | C03 | H2 | 179.7° | 179.8° |
| N01 | C02 | N02 | H17 | 0.0° | 0.0° |
| N01 | C02 | N02 | H18 | 120.0° | 180.0° |
| N01 | C06 | C11 | C12 | 142.6° | 174.7° |
| N01 | C06 | C11 | C16 | 40.8° | 5.5° |
| N01 | C06 | C05 | H3 | 177.8° | 179.7° |
| C06 | C11 | C12 | C16 | 176.5° | 179.7° |
| C06 | C11 | C12 | C13 | 178.7° | 179.7° |
| C06 | C11 | C16 | C15 | 179.2° | 179.7° |
| C06 | C11 | C12 | H1 | 1.3° | 0.2° |
| C11 | C06 | C05 | H3 | 2.6° | 0.0° |
| C06 | C11 | C16 | H8 | 0.8° | 0.3° |
| C11 | C12 | C13 | H1 | 180.0° | 180.0° |
| C12 | C11 | C16 | C15 | 2.5° | 0.0° |
| C11 | C12 | C13 | CL13 | 179.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.6° | 0.0° |
| C12 | C11 | C16 | H8 | 177.5° | 180.0° |
| C16 | C11 | C12 | C13 | 2.1° | 0.0° |
| C11 | C16 | C15 | H8 | 180.0° | 180.0° |
| C11 | C16 | C15 | C14 | 1.2° | 0.0° |
| C11 | C16 | C15 | C17 | 178.2° | 180.0° |
| C16 | C11 | C12 | H1 | 177.8° | 180.0° |
| C12 | C13 | CL13 | C14 | 179.6° | 180.0° |
| C12 | C13 | C14 | C15 | 0.6° | 0.1° |
| C12 | C13 | C14 | H7 | 179.3° | 180.0° |
| C16 | C15 | C14 | C13 | 0.4° | 0.0° |
| C16 | C15 | C14 | C17 | 179.3° | 180.0° |
| C16 | C15 | C17 | N18 | 163.0° | 90.0° |
| C16 | C15 | C14 | H7 | 179.6° | 180.0° |
| C16 | C15 | C17 | H9 | 76.1° | 30.0° |
| C16 | C15 | C17 | H10 | 42.0° | 149.9° |
| CL13 | C13 | C14 | C15 | 179.7° | 180.0° |
| CL13 | C13 | C12 | H1 | 1.0° | 0.1° |
| CL13 | C13 | C14 | H7 | 0.3° | 0.0° |
| C13 | C14 | C15 | H7 | 180.0° | 180.0° |
| C13 | C14 | C15 | C17 | 179.7° | 180.0° |
| C14 | C13 | C12 | H1 | 179.4° | 179.9° |
| C14 | C15 | C17 | N18 | 16.4° | 90.0° |
| C14 | C15 | C16 | H8 | 178.8° | 180.0° |
| C14 | C15 | C17 | H9 | 104.6° | 150.0° |
| C14 | C15 | C17 | H10 | 137.3° | 30.0° |
| C15 | C17 | N18 | H9 | 120.9° | 120.0° |
| C15 | C17 | N18 | H10 | 121.0° | 120.0° |
| C15 | C17 | N18 | C19 | 100.9° | 66.0° |
| C15 | C17 | N18 | C20 | 139.2° | 170.0° |
| C17 | C15 | C14 | H7 | 0.3° | 0.0° |
| C17 | C15 | C16 | H8 | 1.8° | 0.0° |
| C15 | C17 | H9 | H10 | 117.0° | 120.0° |
| C17 | N18 | C19 | C20 | 119.1° | 124.0° |
| N18 | C17 | H9 | H10 | 117.0° | 120.0° |
| C17 | N18 | C19 | H11 | 180.0° | 60.0° |
| C17 | N18 | C19 | H12 | 60.0° | 180.0° |
| C17 | N18 | C19 | H13 | 60.0° | 60.0° |
| C17 | N18 | C20 | H14 | 180.0° | 60.0° |
| C17 | N18 | C20 | H15 | 60.0° | 180.0° |
| C17 | N18 | C20 | H16 | 60.0° | 60.0° |
| C19 | N18 | C17 | H9 | 20.1° | 53.9° |
| C19 | N18 | C17 | H10 | 138.2° | 173.9° |
| N18 | C19 | H11 | H12 | 120.0° | 120.0° |
| N18 | C19 | H11 | H13 | 120.0° | 120.0° |
| N18 | C19 | H12 | H13 | 120.0° | 120.0° |
| C19 | N18 | C20 | H14 | 61.3° | 176.1° |
| C19 | N18 | C20 | H15 | 58.7° | 56.1° |
| C19 | N18 | C20 | H16 | 178.7° | 64.0° |
| C20 | N18 | C17 | H9 | 99.9° | 70.0° |
| C20 | N18 | C17 | H10 | 18.2° | 50.0° |
| C20 | N18 | C19 | H11 | 60.9° | 64.0° |
| C20 | N18 | C19 | H12 | 179.0° | 56.0° |
| C20 | N18 | C19 | H13 | 59.1° | 176.0° |
| N18 | C20 | H14 | H15 | 120.0° | 120.0° |
| N18 | C20 | H14 | H16 | 120.0° | 119.9° |
| N18 | C20 | H15 | H16 | 120.0° | 120.0° |
| H4 | C07 | H5 | H6 | 120.0° | 120.0° |
| H11 | C19 | H12 | H13 | 119.9° | 120.0° |
| H14 | C20 | H15 | H16 | 120.0° | 120.0° |
