XQZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | C03 | sing | 1.53Å | 1.54Å | |
| C06 | C03 | sing | 1.53Å | 1.53Å | |
| O01 | N02 | sing | 1.46Å | 1.41Å | |
| C03 | N02 | sing | 1.47Å | 1.45Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| N02 | H10 | sing | 1.01Å | 1.00Å | |
| O01 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | C03 | C06 | 110.3° | 109.5° |
| C05 | C03 | N02 | 109.4° | 109.4° |
| C05 | C03 | C04 | 111.2° | 109.5° |
| C03 | C05 | H4 | 109.5° | 109.5° |
| C03 | C05 | H5 | 109.5° | 109.4° |
| C03 | C05 | H6 | 109.5° | 109.4° |
| C06 | C03 | N02 | 109.3° | 109.5° |
| C06 | C03 | C04 | 108.5° | 109.5° |
| C03 | C06 | H7 | 109.5° | 109.5° |
| C03 | C06 | H8 | 109.4° | 109.4° |
| C03 | C06 | H9 | 109.5° | 109.5° |
| O01 | N02 | C03 | 109.1° | 111.0° |
| O01 | N02 | H10 | 109.5° | 111.0° |
| N02 | O01 | H11 | 109.5° | 114.0° |
| N02 | C03 | C04 | 108.2° | 109.5° |
| C03 | N02 | H10 | 109.6° | 111.0° |
| C03 | C04 | H1 | 109.5° | 109.5° |
| C03 | C04 | H2 | 109.4° | 109.5° |
| C03 | C04 | H3 | 109.5° | 109.5° |
| H1 | C04 | H2 | 109.4° | 109.4° |
| H1 | C04 | H3 | 109.5° | 109.4° |
| H2 | C04 | H3 | 109.5° | 109.5° |
| H4 | C05 | H5 | 109.5° | 109.5° |
| H4 | C05 | H6 | 109.4° | 109.5° |
| H5 | C05 | H6 | 109.5° | 109.5° |
| H7 | C06 | H8 | 109.5° | 109.4° |
| H7 | C06 | H9 | 109.5° | 109.5° |
| H8 | C06 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | C03 | C06 | N02 | 120.2° | 120.0° |
| C05 | C03 | C06 | C04 | 122.0° | 120.0° |
| C05 | C03 | N02 | O01 | 42.6° | 60.0° |
| C05 | C03 | N02 | C04 | 121.2° | 120.0° |
| C05 | C03 | C04 | H1 | 180.0° | 180.0° |
| C05 | C03 | C04 | H2 | 60.0° | 60.1° |
| C05 | C03 | C04 | H3 | 60.0° | 60.0° |
| C03 | C05 | H4 | H5 | 120.0° | 119.9° |
| C03 | C05 | H4 | H6 | 120.0° | 120.0° |
| C03 | C05 | H5 | H6 | 120.0° | 120.0° |
| C05 | C03 | C06 | H7 | 180.0° | 59.9° |
| C05 | C03 | C06 | H8 | 60.0° | 60.0° |
| C05 | C03 | C06 | H9 | 60.0° | 180.0° |
| C05 | C03 | N02 | H10 | 162.5° | 176.0° |
| C06 | C03 | N02 | O01 | 78.2° | 180.0° |
| C06 | C03 | N02 | C04 | 117.9° | 120.0° |
| C06 | C03 | C04 | H1 | 58.6° | 60.0° |
| C06 | C03 | C04 | H2 | 178.5° | 60.0° |
| C06 | C03 | C04 | H3 | 61.5° | 179.9° |
| C06 | C03 | C05 | H4 | 180.0° | 180.0° |
| C06 | C03 | C05 | H5 | 60.0° | 60.1° |
| C06 | C03 | C05 | H6 | 60.0° | 60.0° |
| C03 | C06 | H7 | H8 | 120.0° | 119.9° |
| C03 | C06 | H7 | H9 | 120.0° | 120.0° |
| C03 | C06 | H8 | H9 | 120.0° | 120.0° |
| C06 | C03 | N02 | H10 | 41.7° | 56.0° |
| O01 | N02 | C03 | H10 | 119.9° | 124.0° |
| O01 | N02 | C03 | C04 | 163.8° | 60.0° |
| N02 | C03 | C04 | H1 | 59.9° | 60.0° |
| N02 | C03 | C04 | H2 | 60.1° | 180.0° |
| N02 | C03 | C04 | H3 | 179.9° | 59.9° |
| N02 | C03 | C05 | H4 | 59.8° | 60.0° |
| N02 | C03 | C05 | H5 | 60.2° | 180.0° |
| N02 | C03 | C05 | H6 | 179.8° | 60.0° |
| N02 | C03 | C06 | H7 | 59.8° | 60.1° |
| N02 | C03 | C06 | H8 | 179.8° | 180.0° |
| N02 | C03 | C06 | H9 | 60.3° | 60.0° |
| C03 | N02 | O01 | H11 | 180.0° | 180.0° |
| C03 | C04 | H1 | H2 | 120.0° | 120.0° |
| C03 | C04 | H1 | H3 | 120.0° | 120.0° |
| C03 | C04 | H2 | H3 | 120.0° | 120.1° |
| C04 | C03 | C05 | H4 | 59.6° | 60.0° |
| C04 | C03 | C05 | H5 | 179.6° | 60.0° |
| C04 | C03 | C05 | H6 | 60.4° | 180.0° |
| C04 | C03 | C06 | H7 | 58.0° | 179.9° |
| C04 | C03 | C06 | H8 | 62.0° | 60.0° |
| C04 | C03 | C06 | H9 | 178.0° | 60.0° |
| C04 | C03 | N02 | H10 | 76.2° | 64.0° |
| H1 | C04 | H2 | H3 | 120.0° | 119.9° |
| H4 | C05 | H5 | H6 | 120.0° | 120.1° |
| H7 | C06 | H8 | H9 | 120.0° | 120.1° |
| H10 | N02 | O01 | H11 | 60.1° | 56.1° |
