PG6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C1 | H13 | sing | 1.09Å | 1.11Å | |
| O1 | C2 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | O2 | sing | 1.43Å | 1.43Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| O2 | C4 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C5 | O3 | sing | 1.43Å | 1.43Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| O3 | C6 | sing | 1.43Å | 1.43Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C7 | O4 | sing | 1.43Å | 1.43Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| O4 | C8 | sing | 1.43Å | 1.44Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C9 | O5 | sing | 1.43Å | 1.43Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| O5 | C10 | sing | 1.43Å | 1.44Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C11 | O6 | sing | 1.43Å | 1.44Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| O6 | C12 | sing | 1.43Å | 1.43Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C12 | H123 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | H11 | 109.8° | 109.4° |
| O1 | C1 | H12 | 112.1° | 109.5° |
| O1 | C1 | H13 | 112.1° | 109.5° |
| C1 | O1 | C2 | 109.8° | 106.8° |
| H11 | C1 | H12 | 112.1° | 109.5° |
| H11 | C1 | H13 | 112.1° | 109.5° |
| H12 | C1 | H13 | 98.3° | 109.4° |
| O1 | C2 | C3 | 110.0° | 109.5° |
| O1 | C2 | H21 | 112.0° | 109.4° |
| O1 | C2 | H22 | 112.0° | 109.5° |
| C3 | C2 | H21 | 112.1° | 109.4° |
| C3 | C2 | H22 | 112.0° | 109.5° |
| C2 | C3 | O2 | 109.8° | 109.5° |
| C2 | C3 | H31 | 112.1° | 109.6° |
| C2 | C3 | H32 | 112.1° | 109.4° |
| H21 | C2 | H22 | 98.4° | 109.5° |
| O2 | C3 | H31 | 112.1° | 109.5° |
| O2 | C3 | H32 | 112.1° | 109.4° |
| C3 | O2 | C4 | 110.1° | 106.8° |
| H31 | C3 | H32 | 98.4° | 109.5° |
| O2 | C4 | C5 | 110.5° | 109.5° |
| O2 | C4 | H41 | 111.8° | 109.5° |
| O2 | C4 | H42 | 111.8° | 109.4° |
| C5 | C4 | H41 | 111.8° | 109.5° |
| C5 | C4 | H42 | 111.8° | 109.5° |
| C4 | C5 | O3 | 109.2° | 109.5° |
| C4 | C5 | H51 | 112.3° | 109.5° |
| C4 | C5 | H52 | 112.3° | 109.5° |
| H41 | C4 | H42 | 98.7° | 109.5° |
| O3 | C5 | H51 | 112.3° | 109.5° |
| O3 | C5 | H52 | 112.3° | 109.5° |
| C5 | O3 | C6 | 110.7° | 106.8° |
| H51 | C5 | H52 | 98.1° | 109.4° |
| O3 | C6 | C7 | 109.1° | 109.5° |
| O3 | C6 | H61 | 112.4° | 109.5° |
| O3 | C6 | H62 | 112.3° | 109.5° |
| C7 | C6 | H61 | 112.4° | 109.5° |
| C7 | C6 | H62 | 112.3° | 109.4° |
| C6 | C7 | O4 | 109.5° | 109.5° |
| C6 | C7 | H71 | 112.2° | 109.5° |
| C6 | C7 | H72 | 112.2° | 109.5° |
| H61 | C6 | H62 | 98.1° | 109.5° |
| O4 | C7 | H71 | 112.2° | 109.5° |
| O4 | C7 | H72 | 112.2° | 109.4° |
| C7 | O4 | C8 | 111.0° | 106.8° |
| H71 | C7 | H72 | 98.3° | 109.4° |
| O4 | C8 | C9 | 110.4° | 109.4° |
| O4 | C8 | H81 | 111.9° | 109.5° |
| O4 | C8 | H82 | 111.9° | 109.5° |
| C9 | C8 | H81 | 111.9° | 109.5° |
| C9 | C8 | H82 | 111.8° | 109.5° |
| C8 | C9 | O5 | 110.2° | 109.5° |
| C8 | C9 | H91 | 112.0° | 109.5° |
| C8 | C9 | H92 | 111.9° | 109.5° |
| H81 | C8 | H82 | 98.5° | 109.5° |
| O5 | C9 | H91 | 111.9° | 109.4° |
| O5 | C9 | H92 | 111.9° | 109.5° |
| C9 | O5 | C10 | 110.1° | 106.8° |
| H91 | C9 | H92 | 98.5° | 109.5° |
| O5 | C10 | C11 | 110.1° | 109.5° |
| O5 | C10 | H101 | 112.0° | 109.5° |
| O5 | C10 | H102 | 112.0° | 109.5° |
| C11 | C10 | H101 | 112.0° | 109.4° |
| C11 | C10 | H102 | 111.9° | 109.5° |
| C10 | C11 | O6 | 109.5° | 109.5° |
| C10 | C11 | H111 | 112.2° | 109.5° |
| C10 | C11 | H112 | 112.2° | 109.4° |
| H101 | C10 | H102 | 98.4° | 109.5° |
| O6 | C11 | H111 | 112.2° | 109.5° |
| O6 | C11 | H112 | 112.2° | 109.5° |
| C11 | O6 | C12 | 110.2° | 106.8° |
| H111 | C11 | H112 | 98.2° | 109.5° |
| O6 | C12 | H121 | 110.2° | 109.4° |
| O6 | C12 | H122 | 111.9° | 109.4° |
| O6 | C12 | H123 | 111.9° | 109.4° |
| H121 | C12 | H122 | 111.9° | 109.4° |
| H121 | C12 | H123 | 112.0° | 109.5° |
| H122 | C12 | H123 | 98.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | H11 | H12 | 125.3° | 120.0° |
| O1 | C1 | H11 | H13 | 125.3° | 120.0° |
| O1 | C1 | H12 | H13 | 118.0° | 120.0° |
| C1 | O1 | C2 | C3 | 149.9° | 180.0° |
| C1 | O1 | C2 | H21 | 84.8° | 60.0° |
| C1 | O1 | C2 | H22 | 24.6° | 60.0° |
| H11 | C1 | H12 | H13 | 117.9° | 120.0° |
| H11 | C1 | O1 | C2 | 180.0° | 60.0° |
| H12 | C1 | O1 | C2 | 54.7° | 180.0° |
| H13 | C1 | O1 | C2 | 54.7° | 60.0° |
| O1 | C2 | C3 | H21 | 125.3° | 120.0° |
| O1 | C2 | C3 | H22 | 125.2° | 120.1° |
| O1 | C2 | H21 | H22 | 117.9° | 120.0° |
| O1 | C2 | C3 | O2 | 93.9° | 59.9° |
| O1 | C2 | C3 | H31 | 31.3° | 180.0° |
| O1 | C2 | C3 | H32 | 140.8° | 60.0° |
| C3 | C2 | H21 | H22 | 118.0° | 120.0° |
| C2 | C3 | O2 | H31 | 125.2° | 120.1° |
| C2 | C3 | O2 | H32 | 125.2° | 119.9° |
| C2 | C3 | H31 | H32 | 118.0° | 120.0° |
| C2 | C3 | O2 | C4 | 162.3° | 180.0° |
| H21 | C2 | C3 | O2 | 140.8° | 60.0° |
| H21 | C2 | C3 | H31 | 94.0° | 60.1° |
| H21 | C2 | C3 | H32 | 15.6° | 179.9° |
| H22 | C2 | C3 | O2 | 31.3° | 180.0° |
| H22 | C2 | C3 | H31 | 156.6° | 59.9° |
| H22 | C2 | C3 | H32 | 93.9° | 60.1° |
| O2 | C3 | H31 | H32 | 118.0° | 119.9° |
| C3 | O2 | C4 | C5 | 142.9° | 180.0° |
| C3 | O2 | C4 | H41 | 17.6° | 59.9° |
| C3 | O2 | C4 | H42 | 91.9° | 60.0° |
| H31 | C3 | O2 | C4 | 72.5° | 59.9° |
| H32 | C3 | O2 | C4 | 37.1° | 60.0° |
| O2 | C4 | C5 | H41 | 125.2° | 120.0° |
| O2 | C4 | C5 | H42 | 125.2° | 120.0° |
| O2 | C4 | H41 | H42 | 117.7° | 119.9° |
| O2 | C4 | C5 | O3 | 67.0° | 60.0° |
| O2 | C4 | C5 | H51 | 167.7° | 180.0° |
| O2 | C4 | C5 | H52 | 58.3° | 60.0° |
| C5 | C4 | H41 | H42 | 117.7° | 120.1° |
| C4 | C5 | O3 | H51 | 125.3° | 120.0° |
| C4 | C5 | O3 | H52 | 125.2° | 120.1° |
| C4 | C5 | H51 | H52 | 118.2° | 120.0° |
| C4 | C5 | O3 | C6 | 172.1° | 180.0° |
| H41 | C4 | C5 | O3 | 58.3° | 60.0° |
| H41 | C4 | C5 | H51 | 67.0° | 60.0° |
| H41 | C4 | C5 | H52 | 176.5° | 179.9° |
| H42 | C4 | C5 | O3 | 167.8° | 180.0° |
| H42 | C4 | C5 | H51 | 42.5° | 60.0° |
| H42 | C4 | C5 | H52 | 66.9° | 59.9° |
| O3 | C5 | H51 | H52 | 118.2° | 119.9° |
| C5 | O3 | C6 | C7 | 169.5° | 180.0° |
| C5 | O3 | C6 | H61 | 44.2° | 60.0° |
| C5 | O3 | C6 | H62 | 65.3° | 60.0° |
| H51 | C5 | O3 | C6 | 46.8° | 59.9° |
| H52 | C5 | O3 | C6 | 62.7° | 59.9° |
| O3 | C6 | C7 | H61 | 125.3° | 120.0° |
| O3 | C6 | C7 | H62 | 125.2° | 120.0° |
| O3 | C6 | H61 | H62 | 118.2° | 120.0° |
| O3 | C6 | C7 | O4 | 63.0° | 60.0° |
| O3 | C6 | C7 | H71 | 62.2° | 180.0° |
| O3 | C6 | C7 | H72 | 171.8° | 60.0° |
| C7 | C6 | H61 | H62 | 118.3° | 120.0° |
| C6 | C7 | O4 | H71 | 125.2° | 120.0° |
| C6 | C7 | O4 | H72 | 125.2° | 120.0° |
| C6 | C7 | H71 | H72 | 118.1° | 120.0° |
| C6 | C7 | O4 | C8 | 169.6° | 180.0° |
| H61 | C6 | C7 | O4 | 171.7° | 60.0° |
| H61 | C6 | C7 | H71 | 63.1° | 60.0° |
| H61 | C6 | C7 | H72 | 46.5° | 180.0° |
| H62 | C6 | C7 | O4 | 62.2° | 180.0° |
| H62 | C6 | C7 | H71 | 172.6° | 60.0° |
| H62 | C6 | C7 | H72 | 63.0° | 60.0° |
| O4 | C7 | H71 | H72 | 118.1° | 119.9° |
| C7 | O4 | C8 | C9 | 134.1° | 180.0° |
| C7 | O4 | C8 | H81 | 8.8° | 60.0° |
| C7 | O4 | C8 | H82 | 100.6° | 60.0° |
| H71 | C7 | O4 | C8 | 65.1° | 60.0° |
| H72 | C7 | O4 | C8 | 44.4° | 60.0° |
| O4 | C8 | C9 | H81 | 125.3° | 120.0° |
| O4 | C8 | C9 | H82 | 125.3° | 120.0° |
| O4 | C8 | H81 | H82 | 117.8° | 120.0° |
| O4 | C8 | C9 | O5 | 54.2° | 60.0° |
| O4 | C8 | C9 | H91 | 71.0° | 180.0° |
| O4 | C8 | C9 | H92 | 179.4° | 60.0° |
| C9 | C8 | H81 | H82 | 117.7° | 120.0° |
| C8 | C9 | O5 | H91 | 125.3° | 120.0° |
| C8 | C9 | O5 | H92 | 125.2° | 120.1° |
| C8 | C9 | H91 | H92 | 117.9° | 120.0° |
| C8 | C9 | O5 | C10 | 174.9° | 180.0° |
| H81 | C8 | C9 | O5 | 179.5° | 59.9° |
| H81 | C8 | C9 | H91 | 54.3° | 60.0° |
| H81 | C8 | C9 | H92 | 55.3° | 180.0° |
| H82 | C8 | C9 | O5 | 71.0° | 180.0° |
| H82 | C8 | C9 | H91 | 163.7° | 60.1° |
| H82 | C8 | C9 | H92 | 54.2° | 59.9° |
| O5 | C9 | H91 | H92 | 117.8° | 120.0° |
| C9 | O5 | C10 | C11 | 131.7° | 180.0° |
| C9 | O5 | C10 | H101 | 6.4° | 60.1° |
| C9 | O5 | C10 | H102 | 103.0° | 60.0° |
| H91 | C9 | O5 | C10 | 59.8° | 60.0° |
| H92 | C9 | O5 | C10 | 49.7° | 59.9° |
| O5 | C10 | C11 | H101 | 125.3° | 120.0° |
| O5 | C10 | C11 | H102 | 125.2° | 120.0° |
| O5 | C10 | H101 | H102 | 117.9° | 120.0° |
| O5 | C10 | C11 | O6 | 140.2° | 60.0° |
| O5 | C10 | C11 | H111 | 94.6° | 180.0° |
| O5 | C10 | C11 | H112 | 14.9° | 60.0° |
| C11 | C10 | H101 | H102 | 117.8° | 120.0° |
| C10 | C11 | O6 | H111 | 125.2° | 120.0° |
| C10 | C11 | O6 | H112 | 125.3° | 119.9° |
| C10 | C11 | H111 | H112 | 118.1° | 119.9° |
| C10 | C11 | O6 | C12 | 140.5° | 180.0° |
| H101 | C10 | C11 | O6 | 14.9° | 60.0° |
| H101 | C10 | C11 | H111 | 140.1° | 60.0° |
| H101 | C10 | C11 | H112 | 110.4° | 180.0° |
| H102 | C10 | C11 | O6 | 94.6° | 180.0° |
| H102 | C10 | C11 | H111 | 30.7° | 60.0° |
| H102 | C10 | C11 | H112 | 140.1° | 60.0° |
| O6 | C11 | H111 | H112 | 118.1° | 120.0° |
| C11 | O6 | C12 | H121 | 180.0° | 180.0° |
| C11 | O6 | C12 | H122 | 54.7° | 60.0° |
| C11 | O6 | C12 | H123 | 54.7° | 60.0° |
| H111 | C11 | O6 | C12 | 94.2° | 60.0° |
| H112 | C11 | O6 | C12 | 15.2° | 60.0° |
| O6 | C12 | H121 | H122 | 125.2° | 119.9° |
| O6 | C12 | H121 | H123 | 125.2° | 120.0° |
| O6 | C12 | H122 | H123 | 117.8° | 120.0° |
| H121 | C12 | H122 | H123 | 117.9° | 120.1° |
