A1CIL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| N04 | C03 | sing | 1.47Å | 1.46Å | |
| C05 | C03 | sing | 1.51Å | 1.55Å | |
| O06 | C05 | sing | 1.34Å | 1.26Å | |
| O07 | C05 | doub | 1.21Å | 1.27Å | |
| C03 | C02 | sing | 1.51Å | 1.52Å | |
| C08 | C02 | doub | 1.31Å | 1.31Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C08 | H082 | sing | 1.08Å | 1.08Å | |
| N04 | H041 | sing | 1.01Å | 1.00Å | |
| N04 | H042 | sing | 1.01Å | 1.00Å | |
| O06 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 120.5° | 120.0° |
| C01 | C02 | C08 | 121.5° | 120.0° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.4° | 109.5° |
| N04 | C03 | C05 | 114.7° | 109.5° |
| N04 | C03 | C02 | 109.1° | 109.4° |
| N04 | C03 | H031 | 109.0° | 109.5° |
| C03 | N04 | H041 | 109.5° | 111.0° |
| C03 | N04 | H042 | 109.5° | 111.0° |
| C03 | C05 | O06 | 120.5° | 120.0° |
| C03 | C05 | O07 | 120.7° | 120.0° |
| C05 | C03 | C02 | 107.7° | 109.5° |
| C05 | C03 | H031 | 107.9° | 109.5° |
| O06 | C05 | O07 | 118.9° | 120.0° |
| C05 | O06 | H2 | 109.5° | 117.0° |
| C03 | C02 | C08 | 118.0° | 120.0° |
| C02 | C03 | H031 | 108.2° | 109.5° |
| C02 | C08 | H081 | 120.0° | 120.0° |
| C02 | C08 | H082 | 120.0° | 120.0° |
| H011 | C01 | H012 | 109.5° | 109.4° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H081 | C08 | H082 | 120.0° | 120.0° |
| H041 | N04 | H042 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | N04 | 78.9° | 55.1° |
| C01 | C02 | C03 | C05 | 46.2° | 64.9° |
| C01 | C02 | C03 | C08 | 179.2° | 179.9° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 162.6° | 175.1° |
| C01 | C02 | C08 | H081 | 179.2° | 0.1° |
| C01 | C02 | C08 | H082 | 0.8° | 180.0° |
| N04 | C03 | C05 | C02 | 121.7° | 120.0° |
| N04 | C03 | C05 | H031 | 121.7° | 120.0° |
| N04 | C03 | C05 | O06 | 13.0° | 160.0° |
| N04 | C03 | C05 | O07 | 168.0° | 20.0° |
| N04 | C03 | C02 | H031 | 118.4° | 120.0° |
| N04 | C03 | C02 | C08 | 101.9° | 125.0° |
| C03 | N04 | H041 | H042 | 120.0° | 123.9° |
| C03 | C05 | O06 | O07 | 179.0° | 180.0° |
| C05 | C03 | C02 | H031 | 116.4° | 120.0° |
| C05 | C03 | C02 | C08 | 133.0° | 114.9° |
| C05 | C03 | N04 | H041 | 180.0° | 59.9° |
| C05 | C03 | N04 | H042 | 60.0° | 63.9° |
| C03 | C05 | O06 | H2 | 179.0° | 179.9° |
| O06 | C05 | C03 | C02 | 108.7° | 80.0° |
| O06 | C05 | C03 | H031 | 134.7° | 40.0° |
| O07 | C05 | C03 | C02 | 70.2° | 100.0° |
| O07 | C05 | C03 | H031 | 46.3° | 140.0° |
| O07 | C05 | O06 | H2 | 0.0° | 0.0° |
| C03 | C02 | C01 | H011 | 180.0° | 90.1° |
| C03 | C02 | C01 | H012 | 60.0° | 150.0° |
| C03 | C02 | C01 | H013 | 60.0° | 29.9° |
| C03 | C02 | C08 | H081 | 0.0° | 180.0° |
| C03 | C02 | C08 | H082 | 180.0° | 0.1° |
| C02 | C03 | N04 | H041 | 59.0° | 60.1° |
| C02 | C03 | N04 | H042 | 60.9° | 176.1° |
| C08 | C02 | C01 | H011 | 0.8° | 90.1° |
| C08 | C02 | C01 | H012 | 119.2° | 29.9° |
| C08 | C02 | C01 | H013 | 120.8° | 149.9° |
| C08 | C02 | C03 | H031 | 16.6° | 5.1° |
| C02 | C08 | H081 | H082 | 180.0° | 179.9° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H031 | C03 | N04 | H041 | 58.9° | 179.9° |
| H031 | C03 | N04 | H042 | 178.9° | 56.1° |
