26P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O11 | doub | 1.21Å | 1.22Å | |
| C1 | O12 | sing | 1.34Å | 1.31Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| O12 | HOC | sing | 0.97Å | 0.95Å | |
| C2 | N2 | sing | 1.47Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| N2 | HN21 | sing | 1.01Å | 1.02Å | |
| N2 | HN22 | sing | 1.01Å | 1.02Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C6 | O6 | doub | 1.21Å | 1.23Å | |
| C6 | C7 | sing | 1.49Å | 1.51Å | |
| C7 | O71 | doub | 1.21Å | 1.23Å | |
| C7 | O72 | sing | 1.35Å | 1.30Å | |
| O72 | HO | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C1 | O12 | 123.8° | 120.0° |
| O11 | C1 | C2 | 119.0° | 120.0° |
| O12 | C1 | C2 | 117.2° | 120.0° |
| C1 | O12 | HOC | 123.7° | 120.0° |
| C1 | C2 | N2 | 108.2° | 109.5° |
| C1 | C2 | C3 | 107.5° | 109.5° |
| C1 | C2 | H2 | 111.8° | 109.5° |
| N2 | C2 | C3 | 110.2° | 109.5° |
| N2 | C2 | H2 | 109.1° | 109.5° |
| C2 | N2 | HN21 | 108.2° | 106.7° |
| C2 | N2 | HN22 | 112.7° | 106.7° |
| C3 | C2 | H2 | 109.9° | 109.4° |
| C2 | C3 | C4 | 109.9° | 109.5° |
| C2 | C3 | H31 | 112.1° | 109.5° |
| C2 | C3 | H32 | 112.0° | 109.5° |
| HN21 | N2 | HN22 | 112.7° | 106.7° |
| C4 | C3 | H31 | 112.0° | 109.4° |
| C4 | C3 | H32 | 112.0° | 109.5° |
| C3 | C4 | C5 | 111.4° | 109.5° |
| C3 | C4 | H41 | 111.5° | 109.5° |
| C3 | C4 | H42 | 111.5° | 109.5° |
| H31 | C3 | H32 | 98.4° | 109.4° |
| C5 | C4 | H41 | 111.6° | 109.4° |
| C5 | C4 | H42 | 111.5° | 109.5° |
| C4 | C5 | C6 | 112.0° | 109.6° |
| C4 | C5 | H51 | 111.2° | 109.4° |
| C4 | C5 | H52 | 111.2° | 109.5° |
| H41 | C4 | H42 | 98.8° | 109.4° |
| C6 | C5 | H51 | 111.3° | 109.4° |
| C6 | C5 | H52 | 111.3° | 109.5° |
| C5 | C6 | O6 | 122.4° | 120.0° |
| C5 | C6 | C7 | 120.4° | 120.1° |
| H51 | C5 | H52 | 99.1° | 109.4° |
| O6 | C6 | C7 | 117.2° | 120.0° |
| C6 | C7 | O71 | 117.2° | 119.9° |
| C6 | C7 | O72 | 118.9° | 120.1° |
| O71 | C7 | O72 | 123.9° | 120.0° |
| C7 | O72 | HO | 118.8° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C1 | O12 | C2 | 179.7° | 180.0° |
| O11 | C1 | O12 | HOC | 180.0° | 0.0° |
| O11 | C1 | C2 | N2 | 136.4° | 30.0° |
| O11 | C1 | C2 | C3 | 104.5° | 90.0° |
| O11 | C1 | C2 | H2 | 16.1° | 150.1° |
| O12 | C1 | C2 | N2 | 43.9° | 150.0° |
| O12 | C1 | C2 | C3 | 75.2° | 90.0° |
| O12 | C1 | C2 | H2 | 164.1° | 30.0° |
| C2 | C1 | O12 | HOC | 0.3° | 180.0° |
| C1 | C2 | N2 | C3 | 117.3° | 120.1° |
| C1 | C2 | N2 | H2 | 121.9° | 120.0° |
| C1 | C2 | C3 | H2 | 121.9° | 120.0° |
| C1 | C2 | N2 | HN21 | 180.0° | 60.1° |
| C1 | C2 | N2 | HN22 | 54.8° | 173.8° |
| C1 | C2 | C3 | C4 | 66.8° | 180.0° |
| C1 | C2 | C3 | H31 | 168.0° | 60.0° |
| C1 | C2 | C3 | H32 | 58.5° | 60.0° |
| N2 | C2 | C3 | H2 | 120.3° | 120.0° |
| C2 | N2 | HN21 | HN22 | 125.3° | 113.8° |
| N2 | C2 | C3 | C4 | 175.5° | 60.0° |
| N2 | C2 | C3 | H31 | 50.2° | 60.0° |
| N2 | C2 | C3 | H32 | 59.3° | 180.0° |
| C3 | C2 | N2 | HN21 | 62.7° | 60.0° |
| C3 | C2 | N2 | HN22 | 62.6° | 53.7° |
| C2 | C3 | C4 | H31 | 125.3° | 120.0° |
| C2 | C3 | C4 | H32 | 125.3° | 120.1° |
| C2 | C3 | H31 | H32 | 118.0° | 120.0° |
| C2 | C3 | C4 | C5 | 177.1° | 180.0° |
| C2 | C3 | C4 | H41 | 57.6° | 60.0° |
| C2 | C3 | C4 | H42 | 51.8° | 60.0° |
| H2 | C2 | N2 | HN21 | 58.0° | 179.9° |
| H2 | C2 | N2 | HN22 | 176.7° | 66.2° |
| H2 | C2 | C3 | C4 | 55.1° | 60.0° |
| H2 | C2 | C3 | H31 | 70.1° | 180.0° |
| H2 | C2 | C3 | H32 | 179.6° | 60.0° |
| C4 | C3 | H31 | H32 | 118.0° | 120.0° |
| C3 | C4 | C5 | H41 | 125.2° | 120.0° |
| C3 | C4 | C5 | H42 | 125.3° | 120.1° |
| C3 | C4 | H41 | H42 | 117.4° | 120.1° |
| C3 | C4 | C5 | C6 | 177.6° | 180.0° |
| C3 | C4 | C5 | H51 | 57.1° | 60.0° |
| C3 | C4 | C5 | H52 | 52.3° | 59.9° |
| H31 | C3 | C4 | C5 | 51.9° | 60.0° |
| H31 | C3 | C4 | H41 | 177.1° | 180.0° |
| H31 | C3 | C4 | H42 | 73.4° | 60.1° |
| H32 | C3 | C4 | C5 | 57.6° | 59.9° |
| H32 | C3 | C4 | H41 | 67.7° | 60.0° |
| H32 | C3 | C4 | H42 | 177.1° | 180.0° |
| C5 | C4 | H41 | H42 | 117.5° | 119.9° |
| C4 | C5 | C6 | H51 | 125.2° | 120.0° |
| C4 | C5 | C6 | H52 | 125.2° | 120.1° |
| C4 | C5 | H51 | H52 | 117.1° | 120.0° |
| C4 | C5 | C6 | O6 | 6.4° | 0.1° |
| C4 | C5 | C6 | C7 | 174.8° | 180.0° |
| H41 | C4 | C5 | C6 | 52.4° | 60.0° |
| H41 | C4 | C5 | H51 | 177.6° | 180.0° |
| H41 | C4 | C5 | H52 | 72.9° | 60.1° |
| H42 | C4 | C5 | C6 | 57.1° | 59.8° |
| H42 | C4 | C5 | H51 | 68.1° | 60.1° |
| H42 | C4 | C5 | H52 | 177.6° | 180.0° |
| C6 | C5 | H51 | H52 | 117.2° | 120.0° |
| C5 | C6 | O6 | C7 | 178.8° | 179.9° |
| C5 | C6 | C7 | O71 | 161.0° | 0.1° |
| C5 | C6 | C7 | O72 | 17.6° | 180.0° |
| H51 | C5 | C6 | O6 | 131.6° | 120.1° |
| H51 | C5 | C6 | C7 | 49.6° | 60.0° |
| H52 | C5 | C6 | O6 | 118.9° | 120.0° |
| H52 | C5 | C6 | C7 | 60.0° | 59.9° |
| O6 | C6 | C7 | O71 | 20.2° | 180.0° |
| O6 | C6 | C7 | O72 | 161.3° | 0.2° |
| C6 | C7 | O71 | O72 | 178.5° | 179.9° |
| C6 | C7 | O72 | HO | 180.0° | 180.0° |
| O71 | C7 | O72 | HO | 1.5° | 0.2° |
