PG0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | O2 | sing | 1.43Å | 1.42Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C5 | H53 | sing | 1.09Å | 1.10Å | |
| O2 | C4 | sing | 1.43Å | 1.44Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C3 | O1 | sing | 1.43Å | 1.43Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| O1 | C2 | sing | 1.43Å | 1.45Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | OTT | sing | 1.43Å | 1.42Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| OTT | HTT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C5 | H51 | 109.4° | 109.5° |
| O2 | C5 | H52 | 109.5° | 109.5° |
| O2 | C5 | H53 | 109.5° | 109.5° |
| C5 | O2 | C4 | 115.9° | 106.8° |
| H51 | C5 | H52 | 109.5° | 109.4° |
| H51 | C5 | H53 | 109.5° | 109.4° |
| H52 | C5 | H53 | 109.5° | 109.5° |
| O2 | C4 | C3 | 108.0° | 109.5° |
| O2 | C4 | H41 | 110.3° | 109.5° |
| O2 | C4 | H42 | 110.0° | 109.5° |
| C3 | C4 | H41 | 110.3° | 109.4° |
| C3 | C4 | H42 | 109.9° | 109.5° |
| C4 | C3 | O1 | 117.4° | 109.4° |
| C4 | C3 | H31 | 105.1° | 109.5° |
| C4 | C3 | H32 | 106.9° | 109.4° |
| H41 | C4 | H42 | 108.4° | 109.5° |
| O1 | C3 | H31 | 105.1° | 109.5° |
| O1 | C3 | H32 | 106.9° | 109.5° |
| C3 | O1 | C2 | 112.3° | 106.8° |
| H31 | C3 | H32 | 115.9° | 109.5° |
| O1 | C2 | C1 | 111.2° | 109.5° |
| O1 | C2 | H21 | 108.5° | 109.5° |
| O1 | C2 | H22 | 108.9° | 109.5° |
| C1 | C2 | H21 | 108.5° | 109.5° |
| C1 | C2 | H22 | 108.9° | 109.5° |
| C2 | C1 | OTT | 113.7° | 109.5° |
| C2 | C1 | H11 | 107.1° | 109.5° |
| C2 | C1 | H12 | 108.1° | 109.5° |
| H21 | C2 | H22 | 110.8° | 109.5° |
| OTT | C1 | H11 | 107.1° | 109.5° |
| OTT | C1 | H12 | 108.1° | 109.5° |
| C1 | OTT | HTT | 109.5° | 106.8° |
| H11 | C1 | H12 | 112.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C5 | H51 | H52 | 120.0° | 120.0° |
| O2 | C5 | H51 | H53 | 120.0° | 120.1° |
| O2 | C5 | H52 | H53 | 120.0° | 120.1° |
| C5 | O2 | C4 | C3 | 113.3° | 180.0° |
| C5 | O2 | C4 | H41 | 7.3° | 60.0° |
| C5 | O2 | C4 | H42 | 126.7° | 60.0° |
| H51 | C5 | H52 | H53 | 120.1° | 119.9° |
| H51 | C5 | O2 | C4 | 75.5° | 60.0° |
| H52 | C5 | O2 | C4 | 44.5° | 60.0° |
| H53 | C5 | O2 | C4 | 164.5° | 180.0° |
| O2 | C4 | C3 | H41 | 120.6° | 120.0° |
| O2 | C4 | C3 | H42 | 120.0° | 120.0° |
| O2 | C4 | H41 | H42 | 120.4° | 120.0° |
| O2 | C4 | C3 | O1 | 144.3° | 65.0° |
| O2 | C4 | C3 | H31 | 28.0° | 175.0° |
| O2 | C4 | C3 | H32 | 95.7° | 54.9° |
| C3 | C4 | H41 | H42 | 120.4° | 120.0° |
| C4 | C3 | O1 | H31 | 116.3° | 120.0° |
| C4 | C3 | O1 | H32 | 120.0° | 119.9° |
| C4 | C3 | H31 | H32 | 117.7° | 120.0° |
| C4 | C3 | O1 | C2 | 170.3° | 180.0° |
| H41 | C4 | C3 | O1 | 95.1° | 55.0° |
| H41 | C4 | C3 | H31 | 148.5° | 65.0° |
| H41 | C4 | C3 | H32 | 24.9° | 174.9° |
| H42 | C4 | C3 | O1 | 24.3° | 175.0° |
| H42 | C4 | C3 | H31 | 92.0° | 55.0° |
| H42 | C4 | C3 | H32 | 144.3° | 65.1° |
| O1 | C3 | H31 | H32 | 117.8° | 120.0° |
| C3 | O1 | C2 | C1 | 63.2° | 180.0° |
| C3 | O1 | C2 | H21 | 177.6° | 60.0° |
| C3 | O1 | C2 | H22 | 56.8° | 60.0° |
| H31 | C3 | O1 | C2 | 54.0° | 60.0° |
| H32 | C3 | O1 | C2 | 69.7° | 60.0° |
| O1 | C2 | C1 | H21 | 119.2° | 120.0° |
| O1 | C2 | C1 | H22 | 120.0° | 120.0° |
| O1 | C2 | H21 | H22 | 119.5° | 120.0° |
| O1 | C2 | C1 | OTT | 170.4° | 65.0° |
| O1 | C2 | C1 | H11 | 52.3° | 175.0° |
| O1 | C2 | C1 | H12 | 69.5° | 55.0° |
| C1 | C2 | H21 | H22 | 119.5° | 120.0° |
| C2 | C1 | OTT | H11 | 118.1° | 120.0° |
| C2 | C1 | OTT | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H12 | 118.8° | 120.0° |
| C2 | C1 | OTT | HTT | 118.0° | 180.0° |
| H21 | C2 | C1 | OTT | 70.3° | 55.0° |
| H21 | C2 | C1 | H11 | 171.6° | 65.0° |
| H21 | C2 | C1 | H12 | 49.7° | 174.9° |
| H22 | C2 | C1 | OTT | 50.4° | 175.0° |
| H22 | C2 | C1 | H11 | 67.7° | 55.0° |
| H22 | C2 | C1 | H12 | 170.4° | 65.0° |
| OTT | C1 | H11 | H12 | 118.9° | 120.0° |
| H11 | C1 | OTT | HTT | 123.9° | 60.0° |
| H12 | C1 | OTT | HTT | 2.0° | 60.0° |
