A1EAN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.36Å | 1.38Å | Aromatic |
| C10 | C09 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.41Å | 1.45Å | Aromatic |
| C09 | C08 | doub | 1.36Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.41Å | 1.47Å | Aromatic |
| C13 | C14 | sing | 1.36Å | 1.37Å | Aromatic |
| C12 | C17 | sing | 1.42Å | 1.35Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| C08 | C17 | sing | 1.41Å | 1.44Å | Aromatic |
| C08 | C07 | sing | 1.51Å | 1.56Å | |
| C17 | C16 | doub | 1.41Å | 1.43Å | Aromatic |
| C15 | C16 | sing | 1.36Å | 1.42Å | Aromatic |
| C07 | N03 | sing | 1.47Å | 1.23Å | |
| C02 | N03 | sing | 1.47Å | 1.41Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| N03 | C04 | sing | 1.47Å | 1.42Å | |
| C01 | N06 | sing | 1.47Å | 1.42Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| N06 | C05 | sing | 1.47Å | 1.40Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| N06 | H19 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C09 | 119.9° | 121.0° |
| C10 | C11 | C12 | 120.8° | 119.6° |
| C11 | C10 | H1 | 120.0° | 119.5° |
| C10 | C11 | H15 | 119.6° | 120.2° |
| C10 | C09 | C08 | 119.7° | 121.0° |
| C09 | C10 | H1 | 120.0° | 119.5° |
| C10 | C09 | H14 | 120.2° | 119.4° |
| C11 | C12 | C13 | 119.7° | 121.3° |
| C11 | C12 | C17 | 119.5° | 119.4° |
| C12 | C11 | H15 | 119.6° | 120.2° |
| C09 | C08 | C17 | 120.1° | 119.6° |
| C09 | C08 | C07 | 119.5° | 120.2° |
| C08 | C09 | H14 | 120.1° | 119.5° |
| C12 | C13 | C14 | 120.1° | 119.6° |
| C13 | C12 | C17 | 120.8° | 119.4° |
| C12 | C13 | H2 | 120.0° | 120.2° |
| C13 | C14 | C15 | 119.6° | 121.0° |
| C14 | C13 | H2 | 120.0° | 120.2° |
| C13 | C14 | H16 | 120.2° | 119.5° |
| C12 | C17 | C08 | 120.0° | 119.3° |
| C12 | C17 | C16 | 119.4° | 119.3° |
| C14 | C15 | C16 | 120.0° | 120.9° |
| C14 | C15 | H3 | 120.0° | 119.5° |
| C15 | C14 | H16 | 120.2° | 119.4° |
| C17 | C08 | C07 | 120.4° | 120.1° |
| C08 | C17 | C16 | 120.7° | 121.3° |
| C08 | C07 | N03 | 109.7° | 109.4° |
| C08 | C07 | H12 | 109.4° | 109.4° |
| C08 | C07 | H13 | 109.4° | 109.5° |
| C17 | C16 | C15 | 120.1° | 119.7° |
| C17 | C16 | H17 | 119.9° | 120.2° |
| C16 | C15 | H3 | 120.0° | 119.5° |
| C15 | C16 | H17 | 119.9° | 120.1° |
| C07 | N03 | C02 | 112.2° | 111.0° |
| C07 | N03 | C04 | 110.6° | 111.0° |
| N03 | C07 | H12 | 109.4° | 109.5° |
| N03 | C07 | H13 | 109.4° | 109.5° |
| N03 | C02 | C01 | 115.8° | 109.4° |
| C02 | N03 | C04 | 114.5° | 110.9° |
| N03 | C02 | H6 | 107.9° | 109.5° |
| N03 | C02 | H7 | 107.9° | 109.5° |
| C02 | C01 | N06 | 112.6° | 109.3° |
| C02 | C01 | H4 | 108.7° | 109.5° |
| C02 | C01 | H5 | 108.7° | 109.5° |
| C01 | C02 | H6 | 107.9° | 109.4° |
| C01 | C02 | H7 | 107.9° | 109.5° |
| N03 | C04 | C05 | 112.3° | 109.3° |
| N03 | C04 | H8 | 108.8° | 109.5° |
| N03 | C04 | H9 | 108.7° | 109.5° |
| C01 | N06 | C05 | 109.8° | 110.9° |
| N06 | C01 | H4 | 108.7° | 109.5° |
| N06 | C01 | H5 | 108.7° | 109.5° |
| C01 | N06 | H19 | 109.4° | 110.9° |
| C04 | C05 | N06 | 109.5° | 109.4° |
| C05 | C04 | H8 | 108.8° | 109.5° |
| C05 | C04 | H9 | 108.8° | 109.6° |
| C04 | C05 | H10 | 109.5° | 109.5° |
| C04 | C05 | H11 | 109.5° | 109.5° |
| N06 | C05 | H10 | 109.4° | 109.5° |
| N06 | C05 | H11 | 109.5° | 109.5° |
| C05 | N06 | H19 | 109.4° | 111.1° |
| H4 | C01 | H5 | 109.4° | 109.5° |
| H6 | C02 | H7 | 109.5° | 109.5° |
| H8 | C04 | H9 | 109.5° | 109.5° |
| H10 | C05 | H11 | 109.5° | 109.5° |
| H12 | C07 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C09 | H1 | 180.0° | 179.8° |
| C10 | C11 | C12 | H15 | 180.0° | 179.9° |
| C11 | C10 | C09 | C08 | 0.0° | 0.0° |
| C10 | C11 | C12 | C13 | 179.9° | 180.0° |
| C10 | C11 | C12 | C17 | 0.1° | 0.0° |
| C11 | C10 | C09 | H14 | 180.0° | 180.0° |
| C09 | C10 | C11 | C12 | 0.0° | 0.1° |
| C10 | C09 | C08 | H14 | 180.0° | 180.0° |
| C10 | C09 | C08 | C17 | 0.0° | 0.1° |
| C10 | C09 | C08 | C07 | 179.9° | 180.0° |
| C09 | C10 | C11 | H15 | 180.0° | 180.0° |
| C11 | C12 | C13 | C17 | 179.8° | 180.0° |
| C11 | C12 | C13 | C14 | 179.9° | 179.9° |
| C11 | C12 | C17 | C08 | 0.1° | 0.0° |
| C11 | C12 | C17 | C16 | 179.8° | 180.0° |
| C12 | C11 | C10 | H1 | 180.0° | 179.7° |
| C11 | C12 | C13 | H2 | 0.1° | 0.0° |
| C09 | C08 | C17 | C12 | 0.0° | 0.1° |
| C09 | C08 | C17 | C07 | 179.8° | 180.0° |
| C09 | C08 | C17 | C16 | 179.7° | 180.0° |
| C09 | C08 | C07 | N03 | 48.0° | 100.0° |
| C08 | C09 | C10 | H1 | 180.0° | 179.8° |
| C09 | C08 | C07 | H12 | 168.1° | 20.0° |
| C09 | C08 | C07 | H13 | 72.0° | 140.0° |
| C12 | C13 | C14 | H2 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.0° |
| C13 | C12 | C17 | C08 | 179.8° | 180.0° |
| C13 | C12 | C17 | C16 | 0.4° | 0.0° |
| C13 | C12 | C11 | H15 | 0.1° | 0.1° |
| C12 | C13 | C14 | H16 | 179.7° | 180.0° |
| C14 | C13 | C12 | C17 | 0.3° | 0.0° |
| C13 | C14 | C15 | H16 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.5° | 0.0° |
| C13 | C14 | C15 | H3 | 179.5° | 180.0° |
| C12 | C17 | C08 | C16 | 179.7° | 179.9° |
| C12 | C17 | C08 | C07 | 179.8° | 180.0° |
| C12 | C17 | C16 | C15 | 0.5° | 0.0° |
| C17 | C12 | C13 | H2 | 179.7° | 180.0° |
| C17 | C12 | C11 | H15 | 179.9° | 179.9° |
| C12 | C17 | C16 | H17 | 179.5° | 180.0° |
| C14 | C15 | C16 | C17 | 0.6° | 0.0° |
| C14 | C15 | C16 | H3 | 180.0° | 180.0° |
| C15 | C14 | C13 | H2 | 179.7° | 180.0° |
| C14 | C15 | C16 | H17 | 179.5° | 180.0° |
| C08 | C17 | C16 | C15 | 179.7° | 179.9° |
| C17 | C08 | C07 | N03 | 132.1° | 80.1° |
| C17 | C08 | C07 | H12 | 12.1° | 160.0° |
| C17 | C08 | C07 | H13 | 107.8° | 40.0° |
| C17 | C08 | C09 | H14 | 179.9° | 179.9° |
| C08 | C17 | C16 | H17 | 0.3° | 0.1° |
| C07 | C08 | C17 | C16 | 0.1° | 0.0° |
| C08 | C07 | N03 | H12 | 120.1° | 120.0° |
| C08 | C07 | N03 | H13 | 120.1° | 120.0° |
| C08 | C07 | N03 | C02 | 114.4° | 170.0° |
| C08 | C07 | N03 | C04 | 116.5° | 66.2° |
| C08 | C07 | H12 | H13 | 119.9° | 120.0° |
| C07 | C08 | C09 | H14 | 0.1° | 0.0° |
| C17 | C16 | C15 | H17 | 180.0° | 180.0° |
| C17 | C16 | C15 | H3 | 179.4° | 180.0° |
| C16 | C15 | C14 | H16 | 179.6° | 180.0° |
| C07 | N03 | C02 | C04 | 127.0° | 123.9° |
| C07 | N03 | C02 | C01 | 89.5° | 176.8° |
| C07 | N03 | C04 | C05 | 82.5° | 176.8° |
| C07 | N03 | C02 | H6 | 31.4° | 56.9° |
| C07 | N03 | C02 | H7 | 149.5° | 63.2° |
| C07 | N03 | C04 | H8 | 157.0° | 63.2° |
| C07 | N03 | C04 | H9 | 37.9° | 56.8° |
| N03 | C07 | H12 | H13 | 119.8° | 120.0° |
| N03 | C02 | C01 | H6 | 120.9° | 120.0° |
| N03 | C02 | C01 | H7 | 120.9° | 120.0° |
| N03 | C02 | C01 | N06 | 42.1° | 58.4° |
| C02 | N03 | C04 | C05 | 45.3° | 59.4° |
| N03 | C02 | C01 | H4 | 78.4° | 178.4° |
| N03 | C02 | C01 | H5 | 162.6° | 61.6° |
| N03 | C02 | H6 | H7 | 117.1° | 120.1° |
| C02 | N03 | C04 | H8 | 75.1° | 60.6° |
| C02 | N03 | C04 | H9 | 165.7° | 179.4° |
| C02 | N03 | C07 | H12 | 125.6° | 70.0° |
| C02 | N03 | C07 | H13 | 5.7° | 50.0° |
| C01 | C02 | N03 | C04 | 37.5° | 59.3° |
| C02 | C01 | N06 | H4 | 120.5° | 120.0° |
| C02 | C01 | N06 | H5 | 120.5° | 119.9° |
| C02 | C01 | N06 | C05 | 55.2° | 59.3° |
| C02 | C01 | H4 | H5 | 118.6° | 120.0° |
| C01 | C02 | H6 | H7 | 117.1° | 120.0° |
| C02 | C01 | N06 | H19 | 175.2° | 64.6° |
| N03 | C04 | C05 | H8 | 120.4° | 119.9° |
| N03 | C04 | C05 | H9 | 120.4° | 119.9° |
| N03 | C04 | C05 | N06 | 58.9° | 58.4° |
| C04 | N03 | C02 | H6 | 158.4° | 179.3° |
| C04 | N03 | C02 | H7 | 83.4° | 60.6° |
| N03 | C04 | H8 | H9 | 118.7° | 120.0° |
| N03 | C04 | C05 | H10 | 178.9° | 61.6° |
| N03 | C04 | C05 | H11 | 61.1° | 178.4° |
| C04 | N03 | C07 | H12 | 3.5° | 53.8° |
| C04 | N03 | C07 | H13 | 123.4° | 173.8° |
| C01 | N06 | C05 | C04 | 63.3° | 59.4° |
| C01 | N06 | C05 | H19 | 120.1° | 123.8° |
| N06 | C01 | H4 | H5 | 118.6° | 120.1° |
| N06 | C01 | C02 | H6 | 163.0° | 178.3° |
| N06 | C01 | C02 | H7 | 78.8° | 61.6° |
| C01 | N06 | C05 | H10 | 176.7° | 60.6° |
| C01 | N06 | C05 | H11 | 56.7° | 179.3° |
| C04 | C05 | N06 | H10 | 120.0° | 120.0° |
| C04 | C05 | N06 | H11 | 120.0° | 120.0° |
| C05 | C04 | H8 | H9 | 118.7° | 120.2° |
| C04 | C05 | H10 | H11 | 120.0° | 120.0° |
| C04 | C05 | N06 | H19 | 176.6° | 64.5° |
| C05 | N06 | C01 | H4 | 65.3° | 179.3° |
| C05 | N06 | C01 | H5 | 175.7° | 60.6° |
| N06 | C05 | C04 | H8 | 61.6° | 61.5° |
| N06 | C05 | C04 | H9 | 179.3° | 178.4° |
| N06 | C05 | H10 | H11 | 120.0° | 120.0° |
| H1 | C10 | C09 | H14 | 0.1° | 0.2° |
| H1 | C10 | C11 | H15 | 0.0° | 0.2° |
| H2 | C13 | C14 | H16 | 0.3° | 0.0° |
| H3 | C15 | C14 | H16 | 0.5° | 0.0° |
| H3 | C15 | C16 | H17 | 0.6° | 0.0° |
| H4 | C01 | C02 | H6 | 42.5° | 61.7° |
| H4 | C01 | C02 | H7 | 160.7° | 58.4° |
| H4 | C01 | N06 | H19 | 54.8° | 55.4° |
| H5 | C01 | C02 | H6 | 76.5° | 58.4° |
| H5 | C01 | C02 | H7 | 41.7° | 178.4° |
| H5 | C01 | N06 | H19 | 64.3° | 175.5° |
| H8 | C04 | C05 | H10 | 58.4° | 178.5° |
| H8 | C04 | C05 | H11 | 178.4° | 58.5° |
| H9 | C04 | C05 | H10 | 60.7° | 58.4° |
| H9 | C04 | C05 | H11 | 59.3° | 61.7° |
| H10 | C05 | N06 | H19 | 56.6° | 175.5° |
| H11 | C05 | N06 | H19 | 63.4° | 55.5° |
