4SD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.47Å | 1.49Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| C3 | N1 | trip | 1.14Å | 1.17Å | |
| C1 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.47Å | 1.45Å | |
| C5 | N2 | trip | 1.14Å | 1.16Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| O1 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 103.0° | 109.5° |
| C2 | C3 | N1 | 179.1° | 180.0° |
| C3 | C2 | H2 | 111.1° | 109.4° |
| C3 | C2 | H3 | 111.1° | 109.4° |
| C2 | C1 | O1 | 107.4° | 109.5° |
| C2 | C1 | C4 | 105.4° | 109.4° |
| C2 | C1 | H1 | 109.9° | 109.4° |
| C1 | C2 | H2 | 111.1° | 109.4° |
| C1 | C2 | H3 | 111.1° | 109.5° |
| O1 | C1 | C4 | 113.4° | 109.5° |
| O1 | C1 | H1 | 111.0° | 109.5° |
| C1 | O1 | H6 | 109.5° | 114.0° |
| C1 | C4 | C5 | 111.4° | 109.5° |
| C4 | C1 | H1 | 109.5° | 109.4° |
| C1 | C4 | H4 | 109.0° | 109.5° |
| C1 | C4 | H5 | 109.0° | 109.4° |
| C4 | C5 | N2 | 179.1° | 180.0° |
| C5 | C4 | H4 | 109.0° | 109.4° |
| C5 | C4 | H5 | 109.0° | 109.4° |
| H2 | C2 | H3 | 109.4° | 109.5° |
| H4 | C4 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H2 | 119.0° | 120.0° |
| C3 | C2 | C1 | H3 | 119.0° | 120.0° |
| C3 | C2 | C1 | O1 | 180.0° | 65.0° |
| C3 | C2 | C1 | C4 | 58.9° | 175.0° |
| C3 | C2 | C1 | H1 | 59.1° | 55.1° |
| C3 | C2 | H2 | H3 | 123.0° | 120.0° |
| C2 | C1 | O1 | C4 | 115.9° | 120.0° |
| C2 | C1 | O1 | H1 | 120.2° | 120.0° |
| C1 | C2 | C3 | N1 | 97.1° | 7.3° |
| C2 | C1 | C4 | H1 | 118.2° | 119.9° |
| C2 | C1 | C4 | C5 | 162.5° | 175.0° |
| C1 | C2 | H2 | H3 | 123.0° | 120.1° |
| C2 | C1 | C4 | H4 | 42.3° | 55.0° |
| C2 | C1 | C4 | H5 | 77.2° | 65.1° |
| C2 | C1 | O1 | H6 | 180.0° | 60.0° |
| O1 | C1 | C4 | H1 | 124.6° | 120.1° |
| O1 | C1 | C4 | C5 | 45.4° | 65.0° |
| O1 | C1 | C2 | H2 | 61.0° | 55.0° |
| O1 | C1 | C2 | H3 | 61.0° | 175.0° |
| O1 | C1 | C4 | H4 | 74.9° | 175.0° |
| O1 | C1 | C4 | H5 | 165.7° | 55.0° |
| N1 | C3 | C2 | H2 | 144.0° | 112.7° |
| N1 | C3 | C2 | H3 | 21.9° | 127.4° |
| C1 | C4 | C5 | H4 | 120.3° | 120.1° |
| C1 | C4 | C5 | H5 | 120.3° | 120.0° |
| C1 | C4 | C5 | N2 | 177.4° | 7.3° |
| C4 | C1 | C2 | H2 | 177.9° | 65.1° |
| C4 | C1 | C2 | H3 | 60.1° | 55.0° |
| C1 | C4 | H4 | H5 | 119.1° | 120.0° |
| C4 | C1 | O1 | H6 | 64.0° | 60.0° |
| C5 | C4 | C1 | H1 | 79.2° | 55.1° |
| C5 | C4 | H4 | H5 | 119.1° | 120.0° |
| N2 | C5 | C4 | H4 | 62.3° | 127.4° |
| N2 | C5 | C4 | H5 | 57.1° | 112.7° |
| H1 | C1 | C2 | H2 | 59.9° | 175.0° |
| H1 | C1 | C2 | H3 | 178.0° | 64.9° |
| H1 | C1 | C4 | H4 | 160.5° | 64.9° |
| H1 | C1 | C4 | H5 | 41.0° | 175.0° |
| H1 | C1 | O1 | H6 | 59.8° | 180.0° |
