GUA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C1 | O1 | doub | 1.21Å | 1.26Å | |
| C1 | O2 | sing | 1.34Å | 1.23Å | |
| C2 | C3 | sing | 1.53Å | 1.48Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.51Å | 1.49Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | O3 | doub | 1.21Å | 1.23Å | |
| C5 | O4 | sing | 1.34Å | 1.25Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 121.3° | 120.0° |
| C2 | C1 | O2 | 115.4° | 120.0° |
| C1 | C2 | C3 | 114.5° | 109.5° |
| C1 | C2 | H21 | 110.4° | 109.5° |
| C1 | C2 | H22 | 110.4° | 109.5° |
| O1 | C1 | O2 | 123.3° | 120.0° |
| C1 | O2 | HO2 | 115.4° | 120.1° |
| C3 | C2 | H21 | 110.4° | 109.4° |
| C3 | C2 | H22 | 110.4° | 109.4° |
| C2 | C3 | C4 | 106.0° | 109.5° |
| C2 | C3 | H31 | 113.5° | 109.5° |
| C2 | C3 | H32 | 113.5° | 109.5° |
| H21 | C2 | H22 | 99.8° | 109.5° |
| C4 | C3 | H31 | 113.5° | 109.5° |
| C4 | C3 | H32 | 113.5° | 109.5° |
| C3 | C4 | C5 | 111.4° | 109.5° |
| C3 | C4 | H41 | 111.5° | 109.4° |
| C3 | C4 | H42 | 111.5° | 109.4° |
| H31 | C3 | H32 | 97.0° | 109.4° |
| C5 | C4 | H41 | 111.6° | 109.5° |
| C5 | C4 | H42 | 111.5° | 109.5° |
| C4 | C5 | O3 | 117.0° | 120.0° |
| C4 | C5 | O4 | 120.4° | 120.1° |
| H41 | C4 | H42 | 98.8° | 109.5° |
| O3 | C5 | O4 | 122.6° | 119.9° |
| C5 | O4 | HO4 | 120.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O2 | 179.7° | 180.0° |
| C1 | C2 | C3 | H21 | 125.3° | 120.0° |
| C1 | C2 | C3 | H22 | 125.3° | 120.0° |
| C1 | C2 | H21 | H22 | 116.2° | 120.0° |
| C1 | C2 | C3 | C4 | 72.2° | 180.0° |
| C1 | C2 | C3 | H31 | 162.6° | 60.0° |
| C1 | C2 | C3 | H32 | 53.1° | 60.0° |
| C2 | C1 | O2 | HO2 | 180.0° | 180.0° |
| O1 | C1 | C2 | C3 | 0.1° | 0.0° |
| O1 | C1 | C2 | H21 | 125.4° | 120.0° |
| O1 | C1 | C2 | H22 | 125.2° | 120.0° |
| O1 | C1 | O2 | HO2 | 0.3° | 0.0° |
| O2 | C1 | C2 | C3 | 179.6° | 180.0° |
| O2 | C1 | C2 | H21 | 54.3° | 60.0° |
| O2 | C1 | C2 | H22 | 55.1° | 60.0° |
| C3 | C2 | H21 | H22 | 116.2° | 120.0° |
| C2 | C3 | C4 | H31 | 125.2° | 120.0° |
| C2 | C3 | C4 | H32 | 125.3° | 120.0° |
| C2 | C3 | H31 | H32 | 119.4° | 120.0° |
| C2 | C3 | C4 | C5 | 135.6° | 180.0° |
| C2 | C3 | C4 | H41 | 10.3° | 60.0° |
| C2 | C3 | C4 | H42 | 99.1° | 60.0° |
| H21 | C2 | C3 | C4 | 53.2° | 60.0° |
| H21 | C2 | C3 | H31 | 72.1° | 180.0° |
| H21 | C2 | C3 | H32 | 178.5° | 60.0° |
| H22 | C2 | C3 | C4 | 162.5° | 60.0° |
| H22 | C2 | C3 | H31 | 37.3° | 60.0° |
| H22 | C2 | C3 | H32 | 72.2° | 180.0° |
| C4 | C3 | H31 | H32 | 119.5° | 120.0° |
| C3 | C4 | C5 | H41 | 125.3° | 120.0° |
| C3 | C4 | C5 | H42 | 125.3° | 120.0° |
| C3 | C4 | H41 | H42 | 117.4° | 120.0° |
| C3 | C4 | C5 | O3 | 27.3° | 0.0° |
| C3 | C4 | C5 | O4 | 152.9° | 180.0° |
| H31 | C3 | C4 | C5 | 99.2° | 60.0° |
| H31 | C3 | C4 | H41 | 135.5° | 180.0° |
| H31 | C3 | C4 | H42 | 26.1° | 60.0° |
| H32 | C3 | C4 | C5 | 10.3° | 60.0° |
| H32 | C3 | C4 | H41 | 115.0° | 60.0° |
| H32 | C3 | C4 | H42 | 135.6° | 180.0° |
| C5 | C4 | H41 | H42 | 117.4° | 120.0° |
| C4 | C5 | O3 | O4 | 179.8° | 180.0° |
| C4 | C5 | O4 | HO4 | 180.0° | 180.0° |
| H41 | C4 | C5 | O3 | 152.6° | 120.0° |
| H41 | C4 | C5 | O4 | 27.6° | 60.0° |
| H42 | C4 | C5 | O3 | 98.0° | 120.0° |
| H42 | C4 | C5 | O4 | 81.8° | 60.0° |
| O3 | C5 | O4 | HO4 | 0.2° | 0.0° |
