A1I28
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N12 | C11 | doub | 1.32Å | 1.28Å | Aromatic |
| N12 | C13 | sing | 1.32Å | 1.23Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.36Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.33Å | Aromatic |
| C10 | C09 | doub | 1.40Å | 1.38Å | Aromatic |
| C14 | C09 | sing | 1.40Å | 1.38Å | Aromatic |
| C09 | C02 | sing | 1.48Å | 1.54Å | |
| C02 | O01 | doub | 1.22Å | 1.17Å | |
| C02 | N03 | sing | 1.35Å | 1.50Å | |
| C08 | N03 | sing | 1.47Å | 1.48Å | |
| C08 | C07 | sing | 1.53Å | 1.53Å | |
| N03 | C04 | sing | 1.47Å | 1.46Å | |
| C07 | N06 | sing | 1.47Å | 1.42Å | |
| N06 | C05 | sing | 1.47Å | 1.44Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| N06 | H7 | sing | 1.01Å | 1.00Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | N12 | C13 | 125.5° | 122.0° |
| N12 | C11 | C10 | 120.3° | 120.9° |
| N12 | C11 | H13 | 119.8° | 119.5° |
| N12 | C13 | C14 | 119.9° | 120.9° |
| N12 | C13 | H2 | 120.1° | 119.5° |
| C11 | C10 | C09 | 116.5° | 119.0° |
| C11 | C10 | H1 | 121.7° | 120.5° |
| C10 | C11 | H13 | 119.9° | 119.6° |
| C13 | C14 | C09 | 119.8° | 119.0° |
| C14 | C13 | H2 | 120.0° | 119.6° |
| C13 | C14 | H14 | 120.1° | 120.5° |
| C10 | C09 | C14 | 117.9° | 118.2° |
| C10 | C09 | C02 | 120.3° | 120.9° |
| C09 | C10 | H1 | 121.8° | 120.5° |
| C14 | C09 | C02 | 121.8° | 120.9° |
| C09 | C14 | H14 | 120.1° | 120.5° |
| C09 | C02 | O01 | 116.9° | 120.0° |
| C09 | C02 | N03 | 123.3° | 120.0° |
| O01 | C02 | N03 | 119.8° | 120.0° |
| C02 | N03 | C08 | 122.8° | 120.9° |
| C02 | N03 | C04 | 122.6° | 120.9° |
| N03 | C08 | C07 | 117.4° | 108.8° |
| C08 | N03 | C04 | 114.5° | 118.2° |
| N03 | C08 | H11 | 107.5° | 109.6° |
| N03 | C08 | H12 | 107.4° | 109.6° |
| C08 | C07 | N06 | 108.3° | 109.4° |
| C08 | C07 | H9 | 109.7° | 109.6° |
| C08 | C07 | H10 | 109.8° | 109.4° |
| C07 | C08 | H11 | 107.5° | 109.6° |
| C07 | C08 | H12 | 107.5° | 109.5° |
| N03 | C04 | C05 | 112.9° | 108.6° |
| N03 | C04 | H3 | 108.6° | 109.7° |
| N03 | C04 | H4 | 108.6° | 109.6° |
| C07 | N06 | C05 | 106.7° | 111.3° |
| C07 | N06 | H7 | 110.1° | 111.1° |
| N06 | C07 | H9 | 109.8° | 109.5° |
| N06 | C07 | H10 | 109.7° | 109.5° |
| N06 | C05 | C04 | 113.4° | 109.3° |
| N06 | C05 | H5 | 108.5° | 109.5° |
| N06 | C05 | H6 | 108.5° | 109.5° |
| C05 | N06 | H7 | 110.2° | 111.0° |
| C05 | C04 | H3 | 108.6° | 109.6° |
| C05 | C04 | H4 | 108.6° | 109.6° |
| C04 | C05 | H5 | 108.5° | 109.5° |
| C04 | C05 | H6 | 108.5° | 109.5° |
| H3 | C04 | H4 | 109.4° | 109.8° |
| H5 | C05 | H6 | 109.5° | 109.5° |
| H9 | C07 | H10 | 109.5° | 109.5° |
| H11 | C08 | H12 | 109.4° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N12 | C11 | C10 | H13 | 180.0° | 179.9° |
| C11 | N12 | C13 | C14 | 1.6° | 0.9° |
| N12 | C11 | C10 | C09 | 1.7° | 0.0° |
| N12 | C11 | C10 | H1 | 178.3° | 179.7° |
| C11 | N12 | C13 | H2 | 178.3° | 180.0° |
| C13 | N12 | C11 | C10 | 1.4° | 0.6° |
| N12 | C13 | C14 | H2 | 180.0° | 179.1° |
| N12 | C13 | C14 | C09 | 2.2° | 0.5° |
| C13 | N12 | C11 | H13 | 178.6° | 179.4° |
| N12 | C13 | C14 | H14 | 177.8° | 180.0° |
| C11 | C10 | C09 | H1 | 180.0° | 179.7° |
| C11 | C10 | C09 | C14 | 2.3° | 0.3° |
| C11 | C10 | C09 | C02 | 177.6° | 179.7° |
| C13 | C14 | C09 | C10 | 2.6° | 0.1° |
| C13 | C14 | C09 | H14 | 180.0° | 179.5° |
| C13 | C14 | C09 | C02 | 177.3° | 180.0° |
| C10 | C09 | C14 | C02 | 179.9° | 179.9° |
| C10 | C09 | C02 | O01 | 31.2° | 143.1° |
| C10 | C09 | C02 | N03 | 148.0° | 36.9° |
| C09 | C10 | C11 | H13 | 178.3° | 180.0° |
| C10 | C09 | C14 | H14 | 177.5° | 179.4° |
| C14 | C09 | C02 | O01 | 148.7° | 36.9° |
| C14 | C09 | C02 | N03 | 32.1° | 143.1° |
| C14 | C09 | C10 | H1 | 177.7° | 180.0° |
| C09 | C14 | C13 | H2 | 177.8° | 179.7° |
| C09 | C02 | O01 | N03 | 179.3° | 180.0° |
| C09 | C02 | N03 | C08 | 1.6° | 6.2° |
| C09 | C02 | N03 | C04 | 179.0° | 174.1° |
| C02 | C09 | C10 | H1 | 2.4° | 0.0° |
| C02 | C09 | C14 | H14 | 2.7° | 0.5° |
| O01 | C02 | N03 | C08 | 179.2° | 173.8° |
| O01 | C02 | N03 | C04 | 1.8° | 5.9° |
| C02 | N03 | C08 | C04 | 177.6° | 179.7° |
| C02 | N03 | C08 | C07 | 151.1° | 128.8° |
| C02 | N03 | C04 | C05 | 150.3° | 128.8° |
| C02 | N03 | C04 | H3 | 29.8° | 111.5° |
| C02 | N03 | C04 | H4 | 89.1° | 9.1° |
| C02 | N03 | C08 | H11 | 87.8° | 9.1° |
| C02 | N03 | C08 | H12 | 29.9° | 111.5° |
| N03 | C08 | C07 | H11 | 121.2° | 119.8° |
| N03 | C08 | C07 | H12 | 121.1° | 119.8° |
| N03 | C08 | C07 | N06 | 18.2° | 53.6° |
| C08 | N03 | C04 | C05 | 32.0° | 50.9° |
| C08 | N03 | C04 | H3 | 152.5° | 68.8° |
| C08 | N03 | C04 | H4 | 88.5° | 170.6° |
| N03 | C08 | C07 | H9 | 101.6° | 173.6° |
| N03 | C08 | C07 | H10 | 138.0° | 66.3° |
| N03 | C08 | H11 | H12 | 116.4° | 120.5° |
| C07 | C08 | N03 | C04 | 31.3° | 50.9° |
| C08 | C07 | N06 | H9 | 119.8° | 120.1° |
| C08 | C07 | N06 | H10 | 119.8° | 119.9° |
| C08 | C07 | N06 | C05 | 65.6° | 63.0° |
| C08 | C07 | N06 | H7 | 174.8° | 172.9° |
| C08 | C07 | H9 | H10 | 120.5° | 120.0° |
| C07 | C08 | H11 | H12 | 116.4° | 120.2° |
| N03 | C04 | C05 | N06 | 15.1° | 53.8° |
| N03 | C04 | C05 | H3 | 120.5° | 119.7° |
| N03 | C04 | C05 | H4 | 120.5° | 119.7° |
| N03 | C04 | H3 | H4 | 118.4° | 120.5° |
| N03 | C04 | C05 | H5 | 105.5° | 173.8° |
| N03 | C04 | C05 | H6 | 135.6° | 66.1° |
| C04 | N03 | C08 | H11 | 89.9° | 170.6° |
| C04 | N03 | C08 | H12 | 152.5° | 68.8° |
| C07 | N06 | C05 | H7 | 119.5° | 124.2° |
| C07 | N06 | C05 | C04 | 66.5° | 63.1° |
| C07 | N06 | C05 | H5 | 54.1° | 177.0° |
| C07 | N06 | C05 | H6 | 173.0° | 56.8° |
| N06 | C07 | H9 | H10 | 120.5° | 120.0° |
| N06 | C07 | C08 | H11 | 139.3° | 173.4° |
| N06 | C07 | C08 | H12 | 103.0° | 66.2° |
| N06 | C05 | C04 | H5 | 120.6° | 120.0° |
| N06 | C05 | C04 | H6 | 120.6° | 119.9° |
| N06 | C05 | C04 | H3 | 105.4° | 65.9° |
| N06 | C05 | C04 | H4 | 135.6° | 173.5° |
| N06 | C05 | H5 | H6 | 118.2° | 120.1° |
| C05 | N06 | C07 | H9 | 54.2° | 177.0° |
| C05 | N06 | C07 | H10 | 174.6° | 56.9° |
| C05 | C04 | H3 | H4 | 118.4° | 120.4° |
| C04 | C05 | H5 | H6 | 118.3° | 120.0° |
| C04 | C05 | N06 | H7 | 174.0° | 172.7° |
| H1 | C10 | C11 | H13 | 1.8° | 0.3° |
| H2 | C13 | C14 | H14 | 2.2° | 0.9° |
| H3 | C04 | C05 | H5 | 134.0° | 54.0° |
| H3 | C04 | C05 | H6 | 15.1° | 174.1° |
| H4 | C04 | C05 | H5 | 15.0° | 66.5° |
| H4 | C04 | C05 | H6 | 103.8° | 53.6° |
| H5 | C05 | N06 | H7 | 65.4° | 52.7° |
| H6 | C05 | N06 | H7 | 53.4° | 67.4° |
| H7 | N06 | C07 | H9 | 65.4° | 52.8° |
| H7 | N06 | C07 | H10 | 55.0° | 67.2° |
| H9 | C07 | C08 | H11 | 19.5° | 66.6° |
| H9 | C07 | C08 | H12 | 137.2° | 53.8° |
| H10 | C07 | C08 | H11 | 100.9° | 53.5° |
| H10 | C07 | C08 | H12 | 16.8° | 173.9° |






