1PG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | O1 | sing | 1.43Å | 1.36Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C1 | O1 | sing | 1.43Å | 1.54Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C1 | H13 | sing | 1.09Å | 1.12Å | |
| O2 | C3 | sing | 1.43Å | 1.36Å | |
| O2 | C4 | sing | 1.43Å | 1.35Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C5 | O3 | sing | 1.43Å | 1.36Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| O3 | C6 | sing | 1.43Å | 1.35Å | |
| C6 | C7 | sing | 1.53Å | 1.55Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C7 | O4 | sing | 1.43Å | 1.36Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| O4 | C8 | sing | 1.43Å | 1.35Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C9 | O5 | sing | 1.43Å | 1.35Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| O5 | C10 | sing | 1.43Å | 1.35Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C11 | O6 | sing | 1.43Å | 1.35Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | C3 | 109.6° | 109.5° |
| O1 | C2 | H21 | 112.1° | 109.5° |
| O1 | C2 | H22 | 112.2° | 109.5° |
| C2 | O1 | C1 | 112.2° | 106.8° |
| C3 | C2 | H21 | 112.1° | 109.5° |
| C3 | C2 | H22 | 112.1° | 109.5° |
| C2 | C3 | O2 | 110.3° | 109.5° |
| C2 | C3 | H31 | 112.0° | 109.5° |
| C2 | C3 | H32 | 111.9° | 109.5° |
| H21 | C2 | H22 | 98.3° | 109.4° |
| O1 | C1 | H11 | 112.1° | 109.5° |
| O1 | C1 | H12 | 111.2° | 109.5° |
| O1 | C1 | H13 | 111.2° | 109.4° |
| H11 | C1 | H12 | 111.3° | 109.5° |
| H11 | C1 | H13 | 111.2° | 109.5° |
| H12 | C1 | H13 | 99.2° | 109.4° |
| C3 | O2 | C4 | 113.2° | 106.8° |
| O2 | C3 | H31 | 111.9° | 109.4° |
| O2 | C3 | H32 | 111.9° | 109.4° |
| O2 | C4 | C5 | 109.5° | 109.5° |
| O2 | C4 | H41 | 112.2° | 109.5° |
| O2 | C4 | H42 | 112.3° | 109.5° |
| H31 | C3 | H32 | 98.5° | 109.5° |
| C5 | C4 | H41 | 112.2° | 109.4° |
| C5 | C4 | H42 | 112.2° | 109.5° |
| C4 | C5 | O3 | 109.9° | 109.5° |
| C4 | C5 | H51 | 112.1° | 109.5° |
| C4 | C5 | H52 | 112.1° | 109.4° |
| H41 | C4 | H42 | 98.2° | 109.5° |
| O3 | C5 | H51 | 112.1° | 109.5° |
| O3 | C5 | H52 | 112.0° | 109.5° |
| C5 | O3 | C6 | 112.5° | 106.8° |
| H51 | C5 | H52 | 98.3° | 109.5° |
| O3 | C6 | C7 | 110.3° | 109.4° |
| O3 | C6 | H61 | 111.9° | 109.6° |
| O3 | C6 | H62 | 111.9° | 109.5° |
| C7 | C6 | H61 | 111.9° | 109.5° |
| C7 | C6 | H62 | 111.9° | 109.4° |
| C6 | C7 | O4 | 109.5° | 109.5° |
| C6 | C7 | H71 | 112.2° | 109.4° |
| C6 | C7 | H72 | 112.2° | 109.5° |
| H61 | C6 | H62 | 98.5° | 109.4° |
| O4 | C7 | H71 | 112.2° | 109.5° |
| O4 | C7 | H72 | 112.2° | 109.5° |
| C7 | O4 | C8 | 113.5° | 106.8° |
| H71 | C7 | H72 | 98.2° | 109.4° |
| O4 | C8 | C9 | 110.4° | 109.5° |
| O4 | C8 | H81 | 111.9° | 109.5° |
| O4 | C8 | H82 | 111.9° | 109.5° |
| C9 | C8 | H81 | 111.8° | 109.4° |
| C9 | C8 | H82 | 111.8° | 109.6° |
| C8 | C9 | O5 | 109.3° | 109.5° |
| C8 | C9 | H91 | 112.3° | 109.5° |
| C8 | C9 | H92 | 112.3° | 109.4° |
| H81 | C8 | H82 | 98.5° | 109.4° |
| O5 | C9 | H91 | 112.3° | 109.5° |
| O5 | C9 | H92 | 112.3° | 109.4° |
| C9 | O5 | C10 | 111.7° | 106.8° |
| H91 | C9 | H92 | 98.1° | 109.4° |
| O5 | C10 | C11 | 110.3° | 109.4° |
| O5 | C10 | H101 | 111.9° | 109.5° |
| O5 | C10 | H102 | 111.9° | 109.4° |
| C11 | C10 | H101 | 111.9° | 109.5° |
| C11 | C10 | H102 | 111.9° | 109.5° |
| C10 | C11 | O6 | 110.0° | 109.5° |
| C10 | C11 | H111 | 112.0° | 109.4° |
| C10 | C11 | H112 | 112.0° | 109.5° |
| H101 | C10 | H102 | 98.5° | 109.5° |
| O6 | C11 | H111 | 112.0° | 109.5° |
| O6 | C11 | H112 | 112.0° | 109.5° |
| C11 | O6 | HO6 | 110.0° | 106.8° |
| H111 | C11 | H112 | 98.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C3 | H21 | 125.2° | 120.1° |
| O1 | C2 | C3 | H22 | 125.2° | 120.0° |
| O1 | C2 | H21 | H22 | 118.1° | 120.0° |
| C2 | O1 | C1 | H11 | 180.0° | 180.0° |
| C2 | O1 | C1 | H12 | 54.7° | 60.0° |
| C2 | O1 | C1 | H13 | 54.8° | 59.9° |
| O1 | C2 | C3 | O2 | 63.6° | 60.0° |
| O1 | C2 | C3 | H31 | 171.1° | 180.0° |
| O1 | C2 | C3 | H32 | 61.6° | 60.0° |
| C3 | C2 | H21 | H22 | 118.1° | 120.0° |
| C3 | C2 | O1 | C1 | 167.9° | 180.0° |
| C2 | C3 | O2 | H31 | 125.3° | 120.0° |
| C2 | C3 | O2 | H32 | 125.3° | 120.0° |
| C2 | C3 | O2 | C4 | 179.6° | 180.0° |
| C2 | C3 | H31 | H32 | 117.9° | 120.0° |
| H21 | C2 | O1 | C1 | 66.9° | 60.0° |
| H21 | C2 | C3 | O2 | 61.6° | 60.0° |
| H21 | C2 | C3 | H31 | 63.7° | 59.9° |
| H21 | C2 | C3 | H32 | 173.2° | 180.0° |
| H22 | C2 | O1 | C1 | 42.6° | 60.0° |
| H22 | C2 | C3 | O2 | 171.1° | 180.0° |
| H22 | C2 | C3 | H31 | 45.9° | 60.0° |
| H22 | C2 | C3 | H32 | 63.6° | 60.0° |
| O1 | C1 | H11 | H12 | 125.2° | 120.0° |
| O1 | C1 | H11 | H13 | 125.2° | 120.0° |
| O1 | C1 | H12 | H13 | 117.0° | 119.9° |
| H11 | C1 | H12 | H13 | 117.2° | 120.1° |
| O2 | C3 | H31 | H32 | 117.8° | 120.0° |
| C3 | O2 | C4 | C5 | 159.0° | 180.0° |
| C3 | O2 | C4 | H41 | 75.7° | 60.0° |
| C3 | O2 | C4 | H42 | 33.7° | 60.0° |
| C4 | O2 | C3 | H31 | 55.1° | 60.0° |
| C4 | O2 | C3 | H32 | 54.3° | 60.0° |
| O2 | C4 | C5 | H41 | 125.3° | 120.0° |
| O2 | C4 | C5 | H42 | 125.3° | 120.0° |
| O2 | C4 | H41 | H42 | 118.2° | 120.0° |
| O2 | C4 | C5 | O3 | 137.9° | 59.9° |
| O2 | C4 | C5 | H51 | 12.6° | 180.0° |
| O2 | C4 | C5 | H52 | 96.9° | 60.0° |
| C5 | C4 | H41 | H42 | 118.1° | 120.0° |
| C4 | C5 | O3 | H51 | 125.3° | 120.1° |
| C4 | C5 | O3 | H52 | 125.3° | 119.9° |
| C4 | C5 | H51 | H52 | 118.0° | 119.9° |
| C4 | C5 | O3 | C6 | 114.9° | 180.0° |
| H41 | C4 | C5 | O3 | 96.8° | 60.0° |
| H41 | C4 | C5 | H51 | 137.9° | 60.0° |
| H41 | C4 | C5 | H52 | 28.4° | 180.0° |
| H42 | C4 | C5 | O3 | 12.6° | 180.0° |
| H42 | C4 | C5 | H51 | 112.7° | 59.9° |
| H42 | C4 | C5 | H52 | 137.8° | 60.0° |
| O3 | C5 | H51 | H52 | 117.9° | 120.0° |
| C5 | O3 | C6 | C7 | 170.9° | 180.0° |
| C5 | O3 | C6 | H61 | 63.9° | 59.9° |
| C5 | O3 | C6 | H62 | 45.7° | 60.1° |
| H51 | C5 | O3 | C6 | 10.4° | 59.9° |
| H52 | C5 | O3 | C6 | 119.8° | 60.1° |
| O3 | C6 | C7 | H61 | 125.3° | 120.1° |
| O3 | C6 | C7 | H62 | 125.2° | 119.9° |
| O3 | C6 | H61 | H62 | 117.8° | 120.0° |
| O3 | C6 | C7 | O4 | 139.8° | 60.1° |
| O3 | C6 | C7 | H71 | 14.6° | 179.9° |
| O3 | C6 | C7 | H72 | 94.9° | 60.0° |
| C7 | C6 | H61 | H62 | 117.8° | 120.0° |
| C6 | C7 | O4 | H71 | 125.3° | 119.9° |
| C6 | C7 | O4 | H72 | 125.3° | 120.1° |
| C6 | C7 | H71 | H72 | 118.1° | 120.0° |
| C6 | C7 | O4 | C8 | 162.9° | 180.0° |
| H61 | C6 | C7 | O4 | 94.9° | 60.0° |
| H61 | C6 | C7 | H71 | 139.8° | 59.9° |
| H61 | C6 | C7 | H72 | 30.4° | 179.9° |
| H62 | C6 | C7 | O4 | 14.6° | 180.0° |
| H62 | C6 | C7 | H71 | 110.6° | 60.0° |
| H62 | C6 | C7 | H72 | 139.9° | 59.9° |
| O4 | C7 | H71 | H72 | 118.1° | 120.0° |
| C7 | O4 | C8 | C9 | 157.2° | 180.0° |
| C7 | O4 | C8 | H81 | 32.0° | 60.0° |
| C7 | O4 | C8 | H82 | 77.5° | 59.9° |
| H71 | C7 | O4 | C8 | 37.6° | 60.0° |
| H72 | C7 | O4 | C8 | 71.9° | 59.9° |
| O4 | C8 | C9 | H81 | 125.3° | 120.0° |
| O4 | C8 | C9 | H82 | 125.3° | 120.1° |
| O4 | C8 | H81 | H82 | 117.8° | 119.9° |
| O4 | C8 | C9 | O5 | 76.9° | 60.0° |
| O4 | C8 | C9 | H91 | 48.4° | 180.0° |
| O4 | C8 | C9 | H92 | 157.8° | 60.0° |
| C9 | C8 | H81 | H82 | 117.7° | 120.1° |
| C8 | C9 | O5 | H91 | 125.3° | 120.1° |
| C8 | C9 | O5 | H92 | 125.3° | 120.0° |
| C8 | C9 | H91 | H92 | 118.2° | 120.0° |
| C8 | C9 | O5 | C10 | 139.1° | 180.0° |
| H81 | C8 | C9 | O5 | 157.8° | 60.0° |
| H81 | C8 | C9 | H91 | 76.9° | 60.0° |
| H81 | C8 | C9 | H92 | 32.5° | 180.0° |
| H82 | C8 | C9 | O5 | 48.4° | 180.0° |
| H82 | C8 | C9 | H91 | 173.7° | 59.9° |
| H82 | C8 | C9 | H92 | 76.9° | 60.1° |
| O5 | C9 | H91 | H92 | 118.2° | 120.0° |
| C9 | O5 | C10 | C11 | 152.3° | 180.0° |
| C9 | O5 | C10 | H101 | 82.4° | 60.0° |
| C9 | O5 | C10 | H102 | 27.0° | 60.0° |
| H91 | C9 | O5 | C10 | 13.8° | 59.9° |
| H92 | C9 | O5 | C10 | 95.6° | 60.0° |
| O5 | C10 | C11 | H101 | 125.3° | 120.0° |
| O5 | C10 | C11 | H102 | 125.2° | 120.0° |
| O5 | C10 | H101 | H102 | 117.8° | 120.0° |
| O5 | C10 | C11 | O6 | 139.1° | 60.0° |
| O5 | C10 | C11 | H111 | 13.9° | 180.0° |
| O5 | C10 | C11 | H112 | 95.7° | 60.0° |
| C11 | C10 | H101 | H102 | 117.8° | 120.1° |
| C10 | C11 | O6 | H111 | 125.2° | 120.0° |
| C10 | C11 | O6 | H112 | 125.3° | 120.1° |
| C10 | C11 | H111 | H112 | 118.0° | 120.0° |
| C10 | C11 | O6 | HO6 | 180.0° | 180.0° |
| H101 | C10 | C11 | O6 | 95.6° | 60.0° |
| H101 | C10 | C11 | H111 | 139.1° | 60.0° |
| H101 | C10 | C11 | H112 | 29.6° | 180.0° |
| H102 | C10 | C11 | O6 | 13.9° | 180.0° |
| H102 | C10 | C11 | H111 | 111.4° | 60.0° |
| H102 | C10 | C11 | H112 | 139.1° | 59.9° |
| O6 | C11 | H111 | H112 | 117.9° | 120.0° |
| H111 | C11 | O6 | HO6 | 54.7° | 60.0° |
| H112 | C11 | O6 | HO6 | 54.8° | 59.9° |
