QZA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | sing | 1.43Å | 1.44Å | |
| C | C1 | sing | 1.53Å | 1.33Å | |
| C | CA | sing | 1.53Å | 1.58Å | |
| C1 | CL | sing | 1.80Å | 1.71Å | |
| CA | CB | sing | 1.53Å | 1.65Å | |
| CA | N | sing | 1.47Å | 1.45Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| O | H9 | sing | 0.97Å | 0.95Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C1 | 120.3° | 109.5° |
| O | C | CA | 110.1° | 109.4° |
| O | C | H8 | 105.2° | 109.5° |
| C | O | H9 | 109.5° | 114.0° |
| C1 | C | CA | 109.5° | 109.5° |
| C | C1 | CL | 118.0° | 109.5° |
| C1 | C | H8 | 106.4° | 109.5° |
| C | C1 | H10 | 107.3° | 109.4° |
| C | C1 | H11 | 107.3° | 109.5° |
| C | CA | CB | 120.1° | 109.5° |
| C | CA | N | 102.0° | 109.5° |
| C | CA | HA | 109.1° | 109.5° |
| CA | C | H8 | 103.9° | 109.5° |
| CL | C1 | H10 | 107.3° | 109.5° |
| CL | C1 | H11 | 107.3° | 109.5° |
| CB | CA | N | 106.4° | 109.5° |
| CB | CA | HA | 108.2° | 109.4° |
| CA | CB | H5 | 109.5° | 109.5° |
| CA | CB | H6 | 109.5° | 109.5° |
| CA | CB | H7 | 109.5° | 109.4° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 110.7° | 109.5° |
| H | N | H2 | 109.4° | 111.1° |
| H5 | CB | H6 | 109.5° | 109.5° |
| H5 | CB | H7 | 109.5° | 109.4° |
| H6 | CB | H7 | 109.5° | 109.5° |
| H10 | C1 | H11 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C1 | CA | 129.0° | 120.0° |
| O | C | C1 | H8 | 119.3° | 120.0° |
| O | C | CA | H8 | 112.2° | 120.0° |
| O | C | C1 | CL | 174.3° | 65.0° |
| O | C | CA | CB | 37.9° | 60.0° |
| O | C | CA | N | 79.2° | 60.0° |
| O | C | CA | HA | 163.6° | 180.0° |
| O | C | C1 | H10 | 53.1° | 55.0° |
| O | C | C1 | H11 | 64.4° | 175.0° |
| C1 | C | CA | H8 | 113.4° | 120.0° |
| C | C1 | CL | H10 | 121.2° | 119.9° |
| C | C1 | CL | H11 | 121.2° | 120.0° |
| C1 | C | CA | CB | 172.3° | 180.0° |
| C1 | C | CA | N | 55.1° | 60.0° |
| C1 | C | CA | HA | 62.1° | 60.0° |
| C1 | C | O | H9 | 180.0° | 60.0° |
| C | C1 | H10 | H11 | 116.1° | 120.0° |
| CA | C | C1 | CL | 56.7° | 175.0° |
| C | CA | CB | N | 114.9° | 120.0° |
| C | CA | CB | HA | 126.0° | 120.0° |
| C | CA | N | HA | 116.0° | 120.0° |
| C | CA | N | H | 180.0° | 56.0° |
| C | CA | N | H2 | 60.0° | 179.9° |
| C | CA | CB | H5 | 180.0° | 59.9° |
| C | CA | CB | H6 | 60.0° | 180.0° |
| C | CA | CB | H7 | 60.0° | 60.0° |
| CA | C | O | H9 | 51.3° | 60.0° |
| CA | C | C1 | H10 | 177.9° | 65.0° |
| CA | C | C1 | H11 | 64.6° | 55.0° |
| CL | C1 | C | H8 | 55.1° | 55.0° |
| CL | C1 | H10 | H11 | 116.2° | 120.1° |
| CB | CA | N | HA | 117.3° | 120.0° |
| CB | CA | N | H | 53.4° | 64.0° |
| CB | CA | N | H2 | 173.3° | 60.0° |
| CA | CB | H5 | H6 | 120.0° | 120.0° |
| CA | CB | H5 | H7 | 120.0° | 119.9° |
| CA | CB | H6 | H7 | 120.0° | 119.9° |
| CB | CA | C | H8 | 74.3° | 60.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | H5 | 65.1° | 180.0° |
| N | CA | CB | H6 | 54.9° | 60.0° |
| N | CA | CB | H7 | 174.9° | 60.0° |
| N | CA | C | H8 | 168.6° | 180.0° |
| H | N | CA | HA | 64.0° | 176.0° |
| H2 | N | CA | HA | 56.0° | 59.9° |
| HA | CA | CB | H5 | 54.0° | 60.0° |
| HA | CA | CB | H6 | 173.9° | 60.0° |
| HA | CA | CB | H7 | 66.1° | 180.0° |
| HA | CA | C | H8 | 51.4° | 60.0° |
| H5 | CB | H6 | H7 | 120.0° | 120.0° |
| H8 | C | O | H9 | 60.1° | 180.0° |
| H8 | C | C1 | H10 | 66.2° | 175.0° |
| H8 | C | C1 | H11 | 176.3° | 65.0° |
