IBO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | CA | sing | 1.52Å | 1.49Å | |
| O2 | C | doub | 1.23Å | 1.32Å | |
| C | NA | sing | 1.38Å | 1.26Å | |
| CA | CB1 | sing | 1.53Å | 1.53Å | |
| CA | CB2 | sing | 1.53Å | 1.50Å | |
| NA | HAN1 | sing | 1.02Å | 1.02Å | |
| NA | HAN2 | sing | 1.01Å | 1.02Å | |
| CA | HA | sing | 1.10Å | 1.12Å | |
| CB2 | HB21 | sing | 1.10Å | 1.11Å | |
| CB2 | HB22 | sing | 1.10Å | 1.12Å | |
| CB2 | HB23 | sing | 1.10Å | 1.12Å | |
| CB1 | HB11 | sing | 1.09Å | 1.12Å | |
| CB1 | HB12 | sing | 1.10Å | 1.11Å | |
| CB1 | HB13 | sing | 1.10Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | O2 | 118.6° | 123.5° |
| CA | C | NA | 122.9° | 113.2° |
| C | CA | CB1 | 114.1° | 111.1° |
| C | CA | CB2 | 111.7° | 110.2° |
| C | CA | HA | 105.6° | 107.9° |
| O2 | C | NA | 118.2° | 123.3° |
| C | NA | HAN1 | 118.2° | 119.6° |
| C | NA | HAN2 | 122.9° | 120.9° |
| CB1 | CA | CB2 | 112.5° | 110.4° |
| CB1 | CA | HA | 104.7° | 108.2° |
| CA | CB1 | HB11 | 110.5° | 110.8° |
| CA | CB1 | HB12 | 110.5° | 111.5° |
| CA | CB1 | HB13 | 114.1° | 110.8° |
| CB2 | CA | HA | 107.4° | 108.9° |
| CA | CB2 | HB21 | 111.4° | 110.9° |
| CA | CB2 | HB22 | 111.4° | 111.3° |
| CA | CB2 | HB23 | 111.7° | 111.1° |
| HAN1 | NA | HAN2 | 118.6° | 119.6° |
| HB21 | CB2 | HB22 | 99.0° | 107.7° |
| HB21 | CB2 | HB23 | 111.4° | 108.3° |
| HB22 | CB2 | HB23 | 111.4° | 107.4° |
| HB11 | CB1 | HB12 | 99.8° | 107.7° |
| HB11 | CB1 | HB13 | 110.5° | 107.9° |
| HB12 | CB1 | HB13 | 110.5° | 108.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | O2 | NA | 173.4° | 179.9° |
| C | CA | CB1 | CB2 | 128.6° | 122.6° |
| C | CA | CB1 | HA | 115.0° | 118.2° |
| C | CA | CB2 | HA | 115.4° | 118.2° |
| CA | C | NA | HAN1 | 6.9° | 0.1° |
| CA | C | NA | HAN2 | 180.0° | 179.9° |
| C | CA | CB2 | HB21 | 54.7° | 179.4° |
| C | CA | CB2 | HB22 | 54.7° | 60.7° |
| C | CA | CB2 | HB23 | 180.0° | 58.9° |
| C | CA | CB1 | HB11 | 54.7° | 56.9° |
| C | CA | CB1 | HB12 | 54.7° | 62.9° |
| C | CA | CB1 | HB13 | 180.0° | 176.7° |
| O2 | C | CA | CB1 | 92.2° | 31.6° |
| O2 | C | CA | CB2 | 138.7° | 91.2° |
| O2 | C | NA | HAN1 | 180.0° | 180.0° |
| O2 | C | NA | HAN2 | 6.9° | 0.0° |
| O2 | C | CA | HA | 22.2° | 150.0° |
| NA | C | CA | CB1 | 94.7° | 148.5° |
| NA | C | CA | CB2 | 34.4° | 88.7° |
| C | NA | HAN1 | HAN2 | 173.4° | 180.0° |
| NA | C | CA | HA | 150.9° | 30.1° |
| CB1 | CA | CB2 | HA | 114.7° | 118.7° |
| CB1 | CA | CB2 | HB21 | 75.2° | 56.3° |
| CB1 | CA | CB2 | HB22 | 175.4° | 176.2° |
| CB1 | CA | CB2 | HB23 | 50.1° | 64.2° |
| CA | CB1 | HB11 | HB12 | 116.4° | 122.1° |
| CA | CB1 | HB11 | HB13 | 127.3° | 121.4° |
| CA | CB1 | HB12 | HB13 | 127.3° | 122.0° |
| CA | CB2 | HB21 | HB22 | 117.3° | 122.0° |
| CA | CB2 | HB21 | HB23 | 125.4° | 122.2° |
| CA | CB2 | HB22 | HB23 | 125.5° | 121.9° |
| CB2 | CA | CB1 | HB11 | 176.6° | 179.6° |
| CB2 | CA | CB1 | HB12 | 73.9° | 59.7° |
| CB2 | CA | CB1 | HB13 | 51.3° | 60.7° |
| HA | CA | CB2 | HB21 | 170.1° | 62.4° |
| HA | CA | CB2 | HB22 | 60.7° | 57.5° |
| HA | CA | CB2 | HB23 | 64.6° | 177.1° |
| HA | CA | CB1 | HB11 | 60.3° | 61.3° |
| HA | CA | CB1 | HB12 | 169.7° | 178.9° |
| HA | CA | CB1 | HB13 | 65.0° | 58.5° |
| HB21 | CB2 | HB22 | HB23 | 117.3° | 116.4° |
| HB11 | CB1 | HB12 | HB13 | 116.4° | 116.3° |
