PG4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.45Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C1 | C2 | sing | 1.53Å | 1.57Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C2 | O2 | sing | 1.43Å | 1.49Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| O2 | C3 | sing | 1.43Å | 1.45Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C4 | O3 | sing | 1.43Å | 1.47Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| O3 | C5 | sing | 1.43Å | 1.46Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C6 | O4 | sing | 1.43Å | 1.42Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| O4 | C7 | sing | 1.43Å | 1.43Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C8 | O5 | sing | 1.43Å | 1.42Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | HO1 | 113.8° | 106.8° |
| O1 | C1 | C2 | 113.7° | 109.4° |
| O1 | C1 | H11 | 110.7° | 109.5° |
| O1 | C1 | H12 | 110.6° | 109.5° |
| C2 | C1 | H11 | 110.6° | 109.4° |
| C2 | C1 | H12 | 110.6° | 109.5° |
| C1 | C2 | O2 | 112.0° | 109.5° |
| C1 | C2 | H21 | 111.3° | 109.4° |
| C1 | C2 | H22 | 111.3° | 109.5° |
| H11 | C1 | H12 | 99.7° | 109.5° |
| O2 | C2 | H21 | 111.3° | 109.5° |
| O2 | C2 | H22 | 111.3° | 109.5° |
| C2 | O2 | C3 | 116.5° | 106.8° |
| H21 | C2 | H22 | 99.0° | 109.4° |
| O2 | C3 | C4 | 108.6° | 109.5° |
| O2 | C3 | H31 | 112.5° | 109.5° |
| O2 | C3 | H32 | 112.5° | 109.5° |
| C4 | C3 | H31 | 112.5° | 109.4° |
| C4 | C3 | H32 | 112.5° | 109.4° |
| C3 | C4 | O3 | 108.6° | 109.4° |
| C3 | C4 | H41 | 112.5° | 109.5° |
| C3 | C4 | H42 | 112.6° | 109.4° |
| H31 | C3 | H32 | 98.0° | 109.4° |
| O3 | C4 | H41 | 112.5° | 109.5° |
| O3 | C4 | H42 | 112.5° | 109.5° |
| C4 | O3 | C5 | 118.3° | 106.8° |
| H41 | C4 | H42 | 97.9° | 109.5° |
| O3 | C5 | C6 | 109.0° | 109.5° |
| O3 | C5 | H51 | 112.4° | 109.6° |
| O3 | C5 | H52 | 112.4° | 109.4° |
| C6 | C5 | H51 | 112.4° | 109.5° |
| C6 | C5 | H52 | 112.4° | 109.4° |
| C5 | C6 | O4 | 110.1° | 109.5° |
| C5 | C6 | H61 | 111.9° | 109.5° |
| C5 | C6 | H62 | 112.0° | 109.5° |
| H51 | C5 | H52 | 98.0° | 109.4° |
| O4 | C6 | H61 | 112.0° | 109.5° |
| O4 | C6 | H62 | 112.0° | 109.4° |
| C6 | O4 | C7 | 115.1° | 106.8° |
| H61 | C6 | H62 | 98.5° | 109.5° |
| O4 | C7 | C8 | 110.3° | 109.5° |
| O4 | C7 | H71 | 111.8° | 109.5° |
| O4 | C7 | H72 | 111.9° | 109.5° |
| C8 | C7 | H71 | 111.9° | 109.5° |
| C8 | C7 | H72 | 111.9° | 109.5° |
| C7 | C8 | O5 | 110.3° | 109.5° |
| C7 | C8 | H81 | 111.9° | 109.5° |
| C7 | C8 | H82 | 111.9° | 109.5° |
| H71 | C7 | H72 | 98.6° | 109.4° |
| O5 | C8 | H81 | 111.9° | 109.4° |
| O5 | C8 | H82 | 111.9° | 109.5° |
| C8 | O5 | HO5 | 110.3° | 106.8° |
| H81 | C8 | H82 | 98.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H11 | 125.3° | 120.0° |
| O1 | C1 | C2 | H12 | 125.2° | 120.0° |
| O1 | C1 | H11 | H12 | 116.5° | 120.0° |
| O1 | C1 | C2 | O2 | 80.3° | 60.0° |
| O1 | C1 | C2 | H21 | 154.5° | 180.0° |
| O1 | C1 | C2 | H22 | 45.0° | 60.0° |
| HO1 | O1 | C1 | C2 | 180.0° | 180.0° |
| HO1 | O1 | C1 | H11 | 54.7° | 60.0° |
| HO1 | O1 | C1 | H12 | 54.8° | 60.0° |
| C2 | C1 | H11 | H12 | 116.5° | 120.0° |
| C1 | C2 | O2 | H21 | 125.3° | 120.0° |
| C1 | C2 | O2 | H22 | 125.3° | 120.0° |
| C1 | C2 | H21 | H22 | 117.2° | 119.9° |
| C1 | C2 | O2 | C3 | 118.9° | 180.0° |
| H11 | C1 | C2 | O2 | 45.0° | 60.0° |
| H11 | C1 | C2 | H21 | 80.3° | 60.0° |
| H11 | C1 | C2 | H22 | 170.3° | 180.0° |
| H12 | C1 | C2 | O2 | 154.5° | 180.0° |
| H12 | C1 | C2 | H21 | 29.2° | 60.0° |
| H12 | C1 | C2 | H22 | 80.2° | 60.0° |
| O2 | C2 | H21 | H22 | 117.1° | 120.1° |
| C2 | O2 | C3 | C4 | 128.9° | 179.9° |
| C2 | O2 | C3 | H31 | 105.8° | 60.1° |
| C2 | O2 | C3 | H32 | 3.7° | 59.9° |
| H21 | C2 | O2 | C3 | 6.5° | 60.1° |
| H22 | C2 | O2 | C3 | 115.8° | 59.9° |
| O2 | C3 | C4 | H31 | 125.2° | 120.0° |
| O2 | C3 | C4 | H32 | 125.2° | 120.1° |
| O2 | C3 | H31 | H32 | 118.4° | 120.1° |
| O2 | C3 | C4 | O3 | 141.6° | 59.9° |
| O2 | C3 | C4 | H41 | 16.3° | 180.0° |
| O2 | C3 | C4 | H42 | 93.2° | 60.0° |
| C4 | C3 | H31 | H32 | 118.5° | 119.9° |
| C3 | C4 | O3 | H41 | 125.3° | 120.0° |
| C3 | C4 | O3 | H42 | 125.3° | 119.9° |
| C3 | C4 | H41 | H42 | 118.5° | 120.0° |
| C3 | C4 | O3 | C5 | 163.3° | 180.0° |
| H31 | C3 | C4 | O3 | 93.2° | 60.1° |
| H31 | C3 | C4 | H41 | 141.5° | 60.0° |
| H31 | C3 | C4 | H42 | 32.1° | 180.0° |
| H32 | C3 | C4 | O3 | 16.3° | 180.0° |
| H32 | C3 | C4 | H41 | 108.9° | 60.0° |
| H32 | C3 | C4 | H42 | 141.6° | 60.1° |
| O3 | C4 | H41 | H42 | 118.4° | 120.1° |
| C4 | O3 | C5 | C6 | 62.0° | 180.0° |
| C4 | O3 | C5 | H51 | 172.7° | 59.9° |
| C4 | O3 | C5 | H52 | 63.3° | 60.1° |
| H41 | C4 | O3 | C5 | 71.5° | 60.0° |
| H42 | C4 | O3 | C5 | 38.0° | 60.1° |
| O3 | C5 | C6 | H51 | 125.3° | 120.1° |
| O3 | C5 | C6 | H52 | 125.3° | 120.0° |
| O3 | C5 | H51 | H52 | 118.3° | 120.0° |
| O3 | C5 | C6 | O4 | 163.5° | 60.0° |
| O3 | C5 | C6 | H61 | 71.2° | 180.0° |
| O3 | C5 | C6 | H62 | 38.3° | 59.9° |
| C6 | C5 | H51 | H52 | 118.3° | 119.9° |
| C5 | C6 | O4 | H61 | 125.2° | 120.0° |
| C5 | C6 | O4 | H62 | 125.2° | 120.0° |
| C5 | C6 | H61 | H62 | 117.9° | 120.0° |
| C5 | C6 | O4 | C7 | 107.9° | 180.0° |
| H51 | C5 | C6 | O4 | 38.2° | 60.1° |
| H51 | C5 | C6 | H61 | 163.5° | 59.9° |
| H51 | C5 | C6 | H62 | 87.0° | 180.0° |
| H52 | C5 | C6 | O4 | 71.2° | 180.0° |
| H52 | C5 | C6 | H61 | 54.0° | 60.0° |
| H52 | C5 | C6 | H62 | 163.5° | 60.0° |
| O4 | C6 | H61 | H62 | 117.9° | 120.0° |
| C6 | O4 | C7 | C8 | 178.3° | 180.0° |
| C6 | O4 | C7 | H71 | 53.0° | 59.9° |
| C6 | O4 | C7 | H72 | 56.5° | 60.0° |
| H61 | C6 | O4 | C7 | 126.8° | 59.9° |
| H62 | C6 | O4 | C7 | 17.3° | 60.1° |
| O4 | C7 | C8 | H71 | 125.2° | 120.0° |
| O4 | C7 | C8 | H72 | 125.2° | 120.0° |
| O4 | C7 | H71 | H72 | 117.8° | 120.0° |
| O4 | C7 | C8 | O5 | 81.3° | 60.0° |
| O4 | C7 | C8 | H81 | 153.4° | 180.0° |
| O4 | C7 | C8 | H82 | 43.9° | 60.0° |
| C8 | C7 | H71 | H72 | 117.8° | 120.0° |
| C7 | C8 | O5 | H81 | 125.3° | 120.1° |
| C7 | C8 | O5 | H82 | 125.2° | 120.0° |
| C7 | C8 | H81 | H82 | 117.8° | 120.0° |
| C7 | C8 | O5 | HO5 | 180.0° | 180.0° |
| H71 | C7 | C8 | O5 | 43.9° | 60.0° |
| H71 | C7 | C8 | H81 | 81.3° | 60.0° |
| H71 | C7 | C8 | H82 | 169.2° | 180.0° |
| H72 | C7 | C8 | O5 | 153.5° | 180.0° |
| H72 | C7 | C8 | H81 | 28.2° | 59.9° |
| H72 | C7 | C8 | H82 | 81.3° | 60.0° |
| O5 | C8 | H81 | H82 | 117.8° | 120.0° |
| H81 | C8 | O5 | HO5 | 54.8° | 60.0° |
| H82 | C8 | O5 | HO5 | 54.7° | 60.0° |
