A1JCW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | C04 | sing | 1.53Å | 1.49Å | |
| C04 | O03 | sing | 1.45Å | 1.45Å | |
| O03 | C02 | sing | 1.35Å | 1.37Å | |
| C02 | N01 | sing | 1.35Å | 1.32Å | |
| C02 | O06 | doub | 1.22Å | 1.24Å | |
| C05 | H1 | sing | 1.09Å | 1.10Å | |
| C05 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| N01 | H6 | sing | 0.97Å | 1.00Å | |
| N01 | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | C04 | O03 | 105.1° | 109.5° |
| C04 | C05 | H1 | 109.5° | 109.5° |
| C04 | C05 | H2 | 109.5° | 109.5° |
| C04 | C05 | H3 | 109.5° | 109.5° |
| C05 | C04 | H4 | 110.5° | 109.5° |
| C05 | C04 | H5 | 110.6° | 109.4° |
| C04 | O03 | C02 | 114.0° | 117.0° |
| O03 | C04 | H4 | 110.6° | 109.5° |
| O03 | C04 | H5 | 110.6° | 109.5° |
| O03 | C02 | N01 | 119.4° | 120.0° |
| O03 | C02 | O06 | 121.6° | 120.0° |
| N01 | C02 | O06 | 119.0° | 120.0° |
| C02 | N01 | H6 | 120.0° | 120.0° |
| C02 | N01 | H7 | 120.0° | 120.0° |
| H1 | C05 | H2 | 109.5° | 109.4° |
| H1 | C05 | H3 | 109.4° | 109.4° |
| H2 | C05 | H3 | 109.5° | 109.4° |
| H4 | C04 | H5 | 109.5° | 109.5° |
| H6 | N01 | H7 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | C04 | O03 | H4 | 119.3° | 120.0° |
| C05 | C04 | O03 | H5 | 119.3° | 120.0° |
| C05 | C04 | O03 | C02 | 176.3° | 180.0° |
| C04 | C05 | H1 | H2 | 120.0° | 120.1° |
| C04 | C05 | H1 | H3 | 120.0° | 120.1° |
| C04 | C05 | H2 | H3 | 120.0° | 120.0° |
| C05 | C04 | H4 | H5 | 122.0° | 120.0° |
| C04 | O03 | C02 | N01 | 173.8° | 180.0° |
| C04 | O03 | C02 | O06 | 4.2° | 0.0° |
| O03 | C04 | C05 | H1 | 180.0° | 180.0° |
| O03 | C04 | C05 | H2 | 60.0° | 60.0° |
| O03 | C04 | C05 | H3 | 60.0° | 60.0° |
| O03 | C04 | H4 | H5 | 122.0° | 120.0° |
| O03 | C02 | N01 | O06 | 178.0° | 180.0° |
| C02 | O03 | C04 | H4 | 57.0° | 60.0° |
| C02 | O03 | C04 | H5 | 64.4° | 60.0° |
| O03 | C02 | N01 | H6 | 178.0° | 0.0° |
| O03 | C02 | N01 | H7 | 2.0° | 180.0° |
| C02 | N01 | H6 | H7 | 180.0° | 180.0° |
| O06 | C02 | N01 | H6 | 0.0° | 180.0° |
| O06 | C02 | N01 | H7 | 180.0° | 0.0° |
| H1 | C05 | H2 | H3 | 120.0° | 119.9° |
| H1 | C05 | C04 | H4 | 60.7° | 60.0° |
| H1 | C05 | C04 | H5 | 60.7° | 60.0° |
| H2 | C05 | C04 | H4 | 59.3° | 60.0° |
| H2 | C05 | C04 | H5 | 179.3° | 180.0° |
| H3 | C05 | C04 | H4 | 179.3° | 180.0° |
| H3 | C05 | C04 | H5 | 59.3° | 60.0° |
