A1EN4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | N20 | sing | 1.34Å | 1.32Å | Aromatic |
| C21 | C22 | doub | 1.35Å | 1.36Å | Aromatic |
| N20 | C19 | doub | 1.31Å | 1.34Å | Aromatic |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| C22 | N18 | sing | 1.37Å | 1.30Å | Aromatic |
| C19 | N18 | sing | 1.35Å | 1.32Å | Aromatic |
| N18 | C17 | sing | 1.47Å | 1.44Å | |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| C15 | C16 | doub | 1.35Å | 1.52Å | |
| C15 | C14 | sing | 1.40Å | 1.48Å | |
| C16 | N24 | sing | 1.36Å | 1.47Å | |
| C14 | C03 | doub | 1.39Å | 1.48Å | |
| O06 | C07 | sing | 1.43Å | 1.39Å | |
| O06 | C05 | sing | 1.36Å | 1.38Å | |
| N24 | C02 | sing | 1.35Å | 1.47Å | |
| C03 | C02 | sing | 1.42Å | 1.49Å | |
| C03 | C04 | sing | 1.48Å | 1.51Å | |
| C02 | O01 | doub | 1.22Å | 1.16Å | |
| C05 | C04 | doub | 1.40Å | 1.38Å | Aromatic |
| C05 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C13 | sing | 1.39Å | 1.35Å | Aromatic |
| C08 | C09 | doub | 1.39Å | 1.37Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.35Å | Aromatic |
| C09 | C12 | sing | 1.39Å | 1.35Å | Aromatic |
| C09 | O10 | sing | 1.36Å | 1.39Å | |
| O10 | C11 | sing | 1.43Å | 1.38Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | H16 | sing | 1.08Å | 1.08Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| N24 | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N20 | C21 | C22 | 108.5° | 108.0° |
| C21 | N20 | C19 | 106.5° | 109.2° |
| N20 | C21 | H16 | 125.8° | 125.9° |
| C21 | C22 | C23 | 127.0° | 126.6° |
| C21 | C22 | N18 | 107.3° | 106.9° |
| C22 | C21 | H16 | 125.8° | 126.1° |
| N20 | C19 | N18 | 108.6° | 108.7° |
| N20 | C19 | H15 | 125.7° | 125.6° |
| C23 | C22 | N18 | 125.7° | 126.6° |
| C22 | C23 | H17 | 109.5° | 109.5° |
| C22 | C23 | H18 | 109.5° | 109.5° |
| C22 | C23 | H19 | 109.5° | 109.5° |
| C22 | N18 | C19 | 109.1° | 107.2° |
| C22 | N18 | C17 | 127.1° | 126.4° |
| C19 | N18 | C17 | 123.8° | 126.4° |
| N18 | C19 | H15 | 125.7° | 125.7° |
| N18 | C17 | C16 | 116.3° | 109.5° |
| N18 | C17 | H13 | 107.7° | 109.5° |
| N18 | C17 | H14 | 107.7° | 109.4° |
| C17 | C16 | C15 | 120.0° | 119.5° |
| C17 | C16 | N24 | 119.6° | 119.4° |
| C16 | C17 | H13 | 107.7° | 109.5° |
| C16 | C17 | H14 | 107.7° | 109.4° |
| C16 | C15 | C14 | 120.3° | 120.1° |
| C15 | C16 | N24 | 120.4° | 121.1° |
| C16 | C15 | H7 | 119.9° | 120.0° |
| C15 | C14 | C03 | 118.3° | 119.1° |
| C15 | C14 | H6 | 120.8° | 120.5° |
| C14 | C15 | H7 | 119.8° | 120.0° |
| C16 | N24 | C02 | 118.9° | 121.0° |
| C16 | N24 | H8 | 120.6° | 119.5° |
| C14 | C03 | C02 | 120.8° | 118.9° |
| C14 | C03 | C04 | 125.0° | 120.5° |
| C03 | C14 | H6 | 120.8° | 120.4° |
| C07 | O06 | C05 | 115.3° | 117.0° |
| O06 | C07 | H9 | 109.5° | 109.5° |
| O06 | C07 | H10 | 109.5° | 109.5° |
| O06 | C07 | H11 | 109.5° | 109.5° |
| O06 | C05 | C04 | 119.5° | 120.1° |
| O06 | C05 | C08 | 120.1° | 120.1° |
| N24 | C02 | C03 | 121.2° | 119.8° |
| N24 | C02 | O01 | 123.6° | 120.1° |
| C02 | N24 | H8 | 120.5° | 119.5° |
| C02 | C03 | C04 | 114.1° | 120.6° |
| C03 | C02 | O01 | 115.2° | 120.1° |
| C03 | C04 | C05 | 126.2° | 120.1° |
| C03 | C04 | C13 | 113.6° | 120.0° |
| C04 | C05 | C08 | 120.4° | 119.8° |
| C05 | C04 | C13 | 120.1° | 119.8° |
| C05 | C08 | C09 | 118.9° | 120.0° |
| C05 | C08 | H12 | 120.5° | 120.0° |
| C04 | C13 | C12 | 117.7° | 119.9° |
| C04 | C13 | H5 | 121.1° | 120.1° |
| C08 | C09 | C12 | 118.1° | 120.2° |
| C08 | C09 | O10 | 125.4° | 119.9° |
| C09 | C08 | H12 | 120.5° | 120.0° |
| C13 | C12 | C09 | 124.7° | 120.2° |
| C13 | C12 | H4 | 117.7° | 119.9° |
| C12 | C13 | H5 | 121.2° | 120.0° |
| C12 | C09 | O10 | 116.4° | 119.9° |
| C09 | C12 | H4 | 117.7° | 119.9° |
| C09 | O10 | C11 | 115.7° | 117.0° |
| O10 | C11 | H1 | 109.5° | 109.4° |
| O10 | C11 | H2 | 109.5° | 109.5° |
| O10 | C11 | H3 | 109.5° | 109.5° |
| H1 | C11 | H2 | 109.5° | 109.4° |
| H1 | C11 | H3 | 109.5° | 109.5° |
| H2 | C11 | H3 | 109.4° | 109.5° |
| H9 | C07 | H10 | 109.4° | 109.5° |
| H9 | C07 | H11 | 109.4° | 109.4° |
| H10 | C07 | H11 | 109.5° | 109.5° |
| H13 | C17 | H14 | 109.5° | 109.5° |
| H17 | C23 | H18 | 109.5° | 109.5° |
| H17 | C23 | H19 | 109.4° | 109.4° |
| H18 | C23 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N20 | C21 | C22 | H16 | 180.0° | 179.8° |
| N20 | C21 | C22 | C23 | 179.7° | 180.0° |
| N20 | C21 | C22 | N18 | 0.4° | 0.4° |
| C21 | N20 | C19 | N18 | 0.4° | 0.0° |
| C21 | N20 | C19 | H15 | 179.6° | 180.0° |
| C22 | C21 | N20 | C19 | 0.0° | 0.2° |
| C21 | C22 | C23 | N18 | 179.9° | 179.5° |
| C21 | C22 | N18 | C19 | 0.7° | 0.4° |
| C21 | C22 | N18 | C17 | 178.7° | 179.9° |
| C21 | C22 | C23 | H17 | 89.9° | 90.0° |
| C21 | C22 | C23 | H18 | 150.0° | 150.0° |
| C21 | C22 | C23 | H19 | 30.1° | 30.0° |
| N20 | C19 | N18 | C22 | 0.7° | 0.3° |
| N20 | C19 | N18 | H15 | 180.0° | 179.9° |
| N20 | C19 | N18 | C17 | 178.8° | 180.0° |
| C19 | N20 | C21 | H16 | 180.0° | 180.0° |
| C23 | C22 | N18 | C19 | 179.4° | 180.0° |
| C23 | C22 | N18 | C17 | 1.4° | 0.2° |
| C23 | C22 | C21 | H16 | 0.3° | 0.2° |
| C22 | C23 | H17 | H18 | 120.0° | 120.0° |
| C22 | C23 | H17 | H19 | 120.0° | 120.0° |
| C22 | C23 | H18 | H19 | 120.0° | 120.0° |
| C22 | N18 | C19 | C17 | 178.1° | 179.7° |
| C22 | N18 | C17 | C16 | 78.8° | 84.8° |
| C22 | N18 | C17 | H13 | 160.2° | 35.3° |
| C22 | N18 | C17 | H14 | 42.2° | 155.3° |
| C22 | N18 | C19 | H15 | 179.3° | 179.8° |
| N18 | C22 | C21 | H16 | 179.6° | 179.8° |
| N18 | C22 | C23 | H17 | 90.0° | 90.5° |
| N18 | C22 | C23 | H18 | 30.1° | 29.5° |
| N18 | C22 | C23 | H19 | 150.1° | 149.5° |
| C19 | N18 | C17 | C16 | 103.5° | 94.9° |
| C19 | N18 | C17 | H13 | 17.5° | 145.0° |
| C19 | N18 | C17 | H14 | 135.5° | 25.0° |
| N18 | C17 | C16 | H13 | 121.0° | 120.1° |
| N18 | C17 | C16 | H14 | 121.0° | 119.9° |
| N18 | C17 | C16 | C15 | 57.7° | 94.6° |
| N18 | C17 | C16 | N24 | 124.8° | 85.0° |
| N18 | C17 | H13 | H14 | 116.9° | 120.0° |
| C17 | N18 | C19 | H15 | 1.2° | 0.1° |
| C17 | C16 | C15 | N24 | 177.5° | 179.6° |
| C17 | C16 | C15 | C14 | 178.9° | 179.7° |
| C17 | C16 | N24 | C02 | 178.6° | 180.0° |
| C17 | C16 | C15 | H7 | 1.2° | 0.4° |
| C16 | C17 | H13 | H14 | 116.9° | 120.0° |
| C17 | C16 | N24 | H8 | 1.4° | 0.4° |
| C16 | C15 | C14 | H7 | 180.0° | 179.9° |
| C16 | C15 | C14 | C03 | 0.3° | 0.1° |
| C15 | C16 | N24 | C02 | 1.1° | 0.4° |
| C16 | C15 | C14 | H6 | 179.8° | 179.8° |
| C15 | C16 | C17 | H13 | 63.3° | 145.3° |
| C15 | C16 | C17 | H14 | 178.7° | 25.3° |
| C15 | C16 | N24 | H8 | 178.9° | 180.0° |
| C14 | C15 | C16 | N24 | 1.4° | 0.1° |
| C15 | C14 | C03 | H6 | 180.0° | 179.7° |
| C15 | C14 | C03 | C02 | 2.1° | 0.3° |
| C15 | C14 | C03 | C04 | 178.4° | 179.6° |
| C16 | N24 | C02 | H8 | 180.0° | 179.6° |
| C16 | N24 | C02 | C03 | 0.7° | 0.6° |
| C16 | N24 | C02 | O01 | 179.2° | 180.0° |
| N24 | C16 | C15 | H7 | 178.6° | 180.0° |
| N24 | C16 | C17 | H13 | 114.2° | 35.1° |
| N24 | C16 | C17 | H14 | 3.8° | 155.1° |
| C14 | C03 | C02 | N24 | 2.4° | 0.5° |
| C14 | C03 | C02 | C04 | 176.6° | 179.9° |
| C14 | C03 | C02 | O01 | 179.0° | 180.0° |
| C14 | C03 | C04 | C05 | 104.3° | 105.0° |
| C14 | C03 | C04 | C13 | 79.0° | 75.0° |
| C03 | C14 | C15 | H7 | 179.7° | 180.0° |
| C07 | O06 | C05 | C04 | 135.8° | 180.0° |
| C07 | O06 | C05 | C08 | 46.2° | 0.0° |
| O06 | C07 | H9 | H10 | 120.0° | 120.1° |
| O06 | C07 | H9 | H11 | 120.0° | 119.9° |
| O06 | C07 | H10 | H11 | 120.0° | 120.0° |
| O06 | C05 | C04 | C03 | 3.0° | 0.0° |
| O06 | C05 | C04 | C08 | 178.0° | 180.0° |
| O06 | C05 | C04 | C13 | 179.5° | 180.0° |
| O06 | C05 | C08 | C09 | 179.7° | 179.7° |
| C05 | O06 | C07 | H9 | 180.0° | 60.0° |
| C05 | O06 | C07 | H10 | 60.0° | 180.0° |
| C05 | O06 | C07 | H11 | 60.0° | 59.9° |
| O06 | C05 | C08 | H12 | 0.3° | 0.0° |
| N24 | C02 | C03 | O01 | 178.6° | 179.4° |
| N24 | C02 | C03 | C04 | 179.0° | 179.4° |
| C02 | C03 | C04 | C05 | 79.2° | 75.0° |
| C02 | C03 | C04 | C13 | 97.4° | 105.0° |
| C02 | C03 | C14 | H6 | 177.9° | 180.0° |
| C03 | C02 | N24 | H8 | 179.3° | 179.8° |
| C04 | C03 | C02 | O01 | 2.4° | 0.0° |
| C03 | C04 | C05 | C13 | 176.5° | 180.0° |
| C03 | C04 | C05 | C08 | 179.0° | 180.0° |
| C03 | C04 | C13 | C12 | 179.0° | 180.0° |
| C03 | C04 | C13 | H5 | 1.1° | 0.0° |
| C04 | C03 | C14 | H6 | 1.7° | 0.1° |
| O01 | C02 | N24 | H8 | 0.8° | 0.4° |
| C04 | C05 | C08 | C09 | 1.7° | 0.3° |
| C05 | C04 | C13 | C12 | 2.1° | 0.0° |
| C05 | C04 | C13 | H5 | 177.9° | 180.0° |
| C04 | C05 | C08 | H12 | 178.3° | 180.0° |
| C08 | C05 | C04 | C13 | 2.5° | 0.0° |
| C05 | C08 | C09 | H12 | 180.0° | 179.7° |
| C05 | C08 | C09 | C12 | 0.5° | 0.6° |
| C05 | C08 | C09 | O10 | 179.3° | 180.0° |
| C04 | C13 | C12 | H5 | 180.0° | 180.0° |
| C04 | C13 | C12 | C09 | 0.9° | 0.3° |
| C04 | C13 | C12 | H4 | 179.1° | 180.0° |
| C08 | C09 | C12 | C13 | 0.1° | 0.5° |
| C08 | C09 | C12 | O10 | 179.0° | 179.4° |
| C08 | C09 | O10 | C11 | 56.7° | 180.0° |
| C08 | C09 | C12 | H4 | 179.9° | 179.7° |
| C13 | C12 | C09 | H4 | 180.0° | 179.7° |
| C13 | C12 | C09 | O10 | 179.1° | 179.9° |
| C12 | C09 | O10 | C11 | 124.4° | 0.6° |
| C09 | C12 | C13 | H5 | 179.1° | 179.7° |
| C12 | C09 | C08 | H12 | 179.5° | 179.7° |
| C09 | O10 | C11 | H1 | 180.0° | 179.9° |
| C09 | O10 | C11 | H2 | 60.0° | 60.0° |
| C09 | O10 | C11 | H3 | 60.0° | 60.1° |
| O10 | C09 | C12 | H4 | 0.9° | 0.3° |
| O10 | C09 | C08 | H12 | 0.6° | 0.3° |
| O10 | C11 | H1 | H2 | 120.0° | 120.0° |
| O10 | C11 | H1 | H3 | 120.0° | 120.0° |
| O10 | C11 | H2 | H3 | 120.0° | 120.0° |
| H1 | C11 | H2 | H3 | 120.0° | 120.0° |
| H4 | C12 | C13 | H5 | 0.9° | 0.0° |
| H6 | C14 | C15 | H7 | 0.3° | 0.3° |
| H9 | C07 | H10 | H11 | 119.9° | 119.9° |
| H17 | C23 | H18 | H19 | 120.0° | 120.0° |
