PG5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C1 | H13 | sing | 1.09Å | 1.11Å | |
| O1 | C2 | sing | 1.43Å | 1.45Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | O2 | sing | 1.43Å | 1.45Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| O2 | C4 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | O3 | sing | 1.43Å | 1.45Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| O3 | C6 | sing | 1.43Å | 1.44Å | |
| C6 | C7 | sing | 1.53Å | 1.56Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C7 | O4 | sing | 1.43Å | 1.45Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| O4 | C8 | sing | 1.43Å | 1.45Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C8 | H83 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | H11 | 109.6° | 109.4° |
| O1 | C1 | H12 | 112.1° | 109.5° |
| O1 | C1 | H13 | 112.1° | 109.5° |
| C1 | O1 | C2 | 109.7° | 106.8° |
| H11 | C1 | H12 | 112.1° | 109.5° |
| H11 | C1 | H13 | 112.1° | 109.5° |
| H12 | C1 | H13 | 98.3° | 109.5° |
| O1 | C2 | C3 | 111.4° | 109.5° |
| O1 | C2 | H21 | 111.5° | 109.4° |
| O1 | C2 | H22 | 111.5° | 109.5° |
| C3 | C2 | H21 | 111.5° | 109.5° |
| C3 | C2 | H22 | 111.5° | 109.5° |
| C2 | C3 | O2 | 110.0° | 109.5° |
| C2 | C3 | H31 | 112.0° | 109.5° |
| C2 | C3 | H32 | 112.0° | 109.5° |
| H21 | C2 | H22 | 99.0° | 109.5° |
| O2 | C3 | H31 | 112.1° | 109.4° |
| O2 | C3 | H32 | 112.0° | 109.5° |
| C3 | O2 | C4 | 111.5° | 106.8° |
| H31 | C3 | H32 | 98.3° | 109.5° |
| O2 | C4 | C5 | 110.6° | 109.5° |
| O2 | C4 | H41 | 111.8° | 109.4° |
| O2 | C4 | H42 | 111.8° | 109.5° |
| C5 | C4 | H41 | 111.8° | 109.5° |
| C5 | C4 | H42 | 111.8° | 109.5° |
| C4 | C5 | O3 | 110.6° | 109.5° |
| C4 | C5 | H51 | 111.7° | 109.5° |
| C4 | C5 | H52 | 111.8° | 109.5° |
| H41 | C4 | H42 | 98.6° | 109.5° |
| O3 | C5 | H51 | 111.8° | 109.5° |
| O3 | C5 | H52 | 111.8° | 109.4° |
| C5 | O3 | C6 | 111.2° | 106.8° |
| H51 | C5 | H52 | 98.6° | 109.5° |
| O3 | C6 | C7 | 110.2° | 109.5° |
| O3 | C6 | H61 | 111.9° | 109.5° |
| O3 | C6 | H62 | 111.9° | 109.4° |
| C7 | C6 | H61 | 111.9° | 109.5° |
| C7 | C6 | H62 | 111.9° | 109.4° |
| C6 | C7 | O4 | 111.0° | 109.4° |
| C6 | C7 | H71 | 111.6° | 109.5° |
| C6 | C7 | H72 | 111.6° | 109.5° |
| H61 | C6 | H62 | 98.5° | 109.5° |
| O4 | C7 | H71 | 111.7° | 109.5° |
| O4 | C7 | H72 | 111.7° | 109.5° |
| C7 | O4 | C8 | 110.2° | 106.8° |
| H71 | C7 | H72 | 98.7° | 109.5° |
| O4 | C8 | H81 | 110.2° | 109.5° |
| O4 | C8 | H82 | 111.9° | 109.5° |
| O4 | C8 | H83 | 111.9° | 109.4° |
| H81 | C8 | H82 | 112.0° | 109.5° |
| H81 | C8 | H83 | 112.0° | 109.5° |
| H82 | C8 | H83 | 98.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | H11 | H12 | 125.2° | 120.0° |
| O1 | C1 | H11 | H13 | 125.2° | 120.0° |
| O1 | C1 | H12 | H13 | 118.1° | 120.0° |
| C1 | O1 | C2 | C3 | 160.9° | 180.0° |
| C1 | O1 | C2 | H21 | 35.6° | 60.0° |
| C1 | O1 | C2 | H22 | 73.9° | 60.0° |
| H11 | C1 | H12 | H13 | 118.1° | 120.0° |
| H11 | C1 | O1 | C2 | 180.0° | 60.0° |
| H12 | C1 | O1 | C2 | 54.8° | 180.0° |
| H13 | C1 | O1 | C2 | 54.7° | 59.9° |
| O1 | C2 | C3 | H21 | 125.2° | 119.9° |
| O1 | C2 | C3 | H22 | 125.2° | 120.0° |
| O1 | C2 | H21 | H22 | 117.4° | 120.0° |
| O1 | C2 | C3 | O2 | 137.7° | 60.0° |
| O1 | C2 | C3 | H31 | 97.0° | 180.0° |
| O1 | C2 | C3 | H32 | 12.4° | 60.1° |
| C3 | C2 | H21 | H22 | 117.4° | 120.0° |
| C2 | C3 | O2 | H31 | 125.3° | 120.0° |
| C2 | C3 | O2 | H32 | 125.2° | 120.0° |
| C2 | C3 | H31 | H32 | 117.9° | 120.0° |
| C2 | C3 | O2 | C4 | 132.5° | 180.0° |
| H21 | C2 | C3 | O2 | 12.5° | 59.9° |
| H21 | C2 | C3 | H31 | 137.8° | 60.0° |
| H21 | C2 | C3 | H32 | 112.8° | 180.0° |
| H22 | C2 | C3 | O2 | 97.1° | 180.0° |
| H22 | C2 | C3 | H31 | 28.2° | 60.0° |
| H22 | C2 | C3 | H32 | 137.6° | 60.0° |
| O2 | C3 | H31 | H32 | 117.9° | 120.0° |
| C3 | O2 | C4 | C5 | 142.0° | 180.0° |
| C3 | O2 | C4 | H41 | 16.7° | 60.0° |
| C3 | O2 | C4 | H42 | 92.8° | 60.0° |
| H31 | C3 | O2 | C4 | 7.2° | 60.0° |
| H32 | C3 | O2 | C4 | 102.3° | 59.9° |
| O2 | C4 | C5 | H41 | 125.3° | 120.0° |
| O2 | C4 | C5 | H42 | 125.3° | 120.0° |
| O2 | C4 | H41 | H42 | 117.7° | 120.0° |
| O2 | C4 | C5 | O3 | 112.9° | 60.0° |
| O2 | C4 | C5 | H51 | 12.4° | 180.0° |
| O2 | C4 | C5 | H52 | 121.8° | 60.0° |
| C5 | C4 | H41 | H42 | 117.7° | 120.0° |
| C4 | C5 | O3 | H51 | 125.2° | 120.0° |
| C4 | C5 | O3 | H52 | 125.2° | 120.0° |
| C4 | C5 | H51 | H52 | 117.7° | 120.0° |
| C4 | C5 | O3 | C6 | 176.3° | 180.0° |
| H41 | C4 | C5 | O3 | 121.8° | 60.0° |
| H41 | C4 | C5 | H51 | 112.9° | 60.0° |
| H41 | C4 | C5 | H52 | 3.5° | 180.0° |
| H42 | C4 | C5 | O3 | 12.4° | 180.0° |
| H42 | C4 | C5 | H51 | 137.6° | 60.0° |
| H42 | C4 | C5 | H52 | 112.9° | 60.0° |
| O3 | C5 | H51 | H52 | 117.8° | 120.0° |
| C5 | O3 | C6 | C7 | 158.1° | 180.0° |
| C5 | O3 | C6 | H61 | 32.8° | 59.9° |
| C5 | O3 | C6 | H62 | 76.7° | 60.0° |
| H51 | C5 | O3 | C6 | 58.5° | 60.0° |
| H52 | C5 | O3 | C6 | 51.0° | 60.0° |
| O3 | C6 | C7 | H61 | 125.2° | 120.1° |
| O3 | C6 | C7 | H62 | 125.2° | 120.0° |
| O3 | C6 | H61 | H62 | 117.8° | 120.0° |
| O3 | C6 | C7 | O4 | 176.1° | 60.0° |
| O3 | C6 | C7 | H71 | 58.6° | 180.0° |
| O3 | C6 | C7 | H72 | 50.8° | 59.9° |
| C7 | C6 | H61 | H62 | 117.9° | 120.0° |
| C6 | C7 | O4 | H71 | 125.3° | 120.0° |
| C6 | C7 | O4 | H72 | 125.3° | 120.0° |
| C6 | C7 | H71 | H72 | 117.5° | 120.0° |
| C6 | C7 | O4 | C8 | 141.2° | 180.0° |
| H61 | C6 | C7 | O4 | 50.8° | 60.0° |
| H61 | C6 | C7 | H71 | 176.1° | 60.0° |
| H61 | C6 | C7 | H72 | 74.4° | 180.0° |
| H62 | C6 | C7 | O4 | 58.7° | 180.0° |
| H62 | C6 | C7 | H71 | 66.6° | 60.0° |
| H62 | C6 | C7 | H72 | 176.0° | 60.0° |
| O4 | C7 | H71 | H72 | 117.6° | 120.0° |
| C7 | O4 | C8 | H81 | 180.0° | 180.0° |
| C7 | O4 | C8 | H82 | 54.7° | 60.0° |
| C7 | O4 | C8 | H83 | 54.7° | 60.0° |
| H71 | C7 | O4 | C8 | 93.5° | 60.0° |
| H72 | C7 | O4 | C8 | 16.0° | 60.0° |
| O4 | C8 | H81 | H82 | 125.3° | 120.0° |
| O4 | C8 | H81 | H83 | 125.2° | 120.0° |
| O4 | C8 | H82 | H83 | 117.8° | 120.0° |
| H81 | C8 | H82 | H83 | 117.9° | 120.0° |
