A1AIV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N06 | C05 | trip | 1.14Å | 1.13Å | |
| C05 | C04 | sing | 1.47Å | 1.53Å | |
| C03 | C04 | sing | 1.53Å | 1.52Å | |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| C02 | N01 | sing | 1.47Å | 1.45Å | |
| N01 | H1 | sing | 1.01Å | 1.00Å | |
| N01 | H2 | sing | 1.01Å | 1.00Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N06 | C05 | C04 | 179.4° | 180.0° |
| C05 | C04 | C03 | 108.8° | 109.5° |
| C05 | C04 | H8 | 109.6° | 109.5° |
| C05 | C04 | H9 | 109.6° | 109.4° |
| C04 | C03 | C02 | 107.9° | 109.5° |
| C04 | C03 | H6 | 109.9° | 109.5° |
| C04 | C03 | H7 | 109.9° | 109.5° |
| C03 | C04 | H8 | 109.6° | 109.5° |
| C03 | C04 | H9 | 109.6° | 109.5° |
| C03 | C02 | N01 | 106.1° | 109.5° |
| C03 | C02 | H4 | 110.3° | 109.5° |
| C03 | C02 | H5 | 110.3° | 109.5° |
| C02 | C03 | H6 | 109.8° | 109.5° |
| C02 | C03 | H7 | 109.9° | 109.5° |
| C02 | N01 | H1 | 109.5° | 111.0° |
| C02 | N01 | H2 | 109.4° | 111.0° |
| N01 | C02 | H4 | 110.3° | 109.5° |
| N01 | C02 | H5 | 110.3° | 109.5° |
| H1 | N01 | H2 | 109.4° | 111.0° |
| H4 | C02 | H5 | 109.5° | 109.5° |
| H6 | C03 | H7 | 109.5° | 109.5° |
| H8 | C04 | H9 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N06 | C05 | C04 | C03 | 96.4° | 169.2° |
| N06 | C05 | C04 | H8 | 23.5° | 49.2° |
| N06 | C05 | C04 | H9 | 143.7° | 70.7° |
| C05 | C04 | C03 | H8 | 119.9° | 120.0° |
| C05 | C04 | C03 | H9 | 119.9° | 120.0° |
| C05 | C04 | C03 | C02 | 166.8° | 180.0° |
| C05 | C04 | C03 | H6 | 47.1° | 60.0° |
| C05 | C04 | C03 | H7 | 73.4° | 60.0° |
| C05 | C04 | H8 | H9 | 120.3° | 120.0° |
| C04 | C03 | C02 | H6 | 119.7° | 120.0° |
| C04 | C03 | C02 | H7 | 119.7° | 120.0° |
| C04 | C03 | C02 | N01 | 30.3° | 180.0° |
| C04 | C03 | C02 | H4 | 89.2° | 60.0° |
| C04 | C03 | C02 | H5 | 149.7° | 60.0° |
| C04 | C03 | H6 | H7 | 120.7° | 120.0° |
| C03 | C04 | H8 | H9 | 120.3° | 120.0° |
| C03 | C02 | N01 | H4 | 119.5° | 120.0° |
| C03 | C02 | N01 | H5 | 119.4° | 120.0° |
| C03 | C02 | N01 | H1 | 180.0° | 56.1° |
| C03 | C02 | N01 | H2 | 60.0° | 180.0° |
| C03 | C02 | H4 | H5 | 121.6° | 120.0° |
| C02 | C03 | H6 | H7 | 120.7° | 120.0° |
| C02 | C03 | C04 | H8 | 73.3° | 60.0° |
| C02 | C03 | C04 | H9 | 47.0° | 60.0° |
| C02 | N01 | H1 | H2 | 120.0° | 123.9° |
| N01 | C02 | H4 | H5 | 121.6° | 120.0° |
| N01 | C02 | C03 | H6 | 150.0° | 60.0° |
| N01 | C02 | C03 | H7 | 89.5° | 60.0° |
| H1 | N01 | C02 | H4 | 60.6° | 176.1° |
| H1 | N01 | C02 | H5 | 60.5° | 63.9° |
| H2 | N01 | C02 | H4 | 179.5° | 60.0° |
| H2 | N01 | C02 | H5 | 59.4° | 60.0° |
| H4 | C02 | C03 | H6 | 30.5° | 180.0° |
| H4 | C02 | C03 | H7 | 151.1° | 60.0° |
| H5 | C02 | C03 | H6 | 90.5° | 60.0° |
| H5 | C02 | C03 | H7 | 30.0° | 180.0° |
| H6 | C03 | C04 | H8 | 167.0° | 180.0° |
| H6 | C03 | C04 | H9 | 72.8° | 60.0° |
| H7 | C03 | C04 | H8 | 46.5° | 60.0° |
| H7 | C03 | C04 | H9 | 166.7° | 180.0° |
