P3G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H51 | sing | 1.09Å | 1.06Å | |
| C5 | H5 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.06Å | |
| C6 | O3 | sing | 1.43Å | 1.43Å | |
| C6 | H61 | sing | 1.09Å | 1.09Å | |
| C6 | H62 | sing | 1.09Å | 1.09Å | |
| O3 | C7 | sing | 1.43Å | 1.43Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | H71 | sing | 1.09Å | 1.09Å | |
| C7 | H72 | sing | 1.09Å | 1.09Å | |
| C8 | O4 | sing | 1.43Å | 1.44Å | |
| C8 | H81 | sing | 1.09Å | 1.09Å | |
| C8 | H82 | sing | 1.09Å | 1.09Å | |
| O4 | C9 | sing | 1.43Å | 1.43Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | H91 | sing | 1.09Å | 1.09Å | |
| C9 | H92 | sing | 1.09Å | 1.09Å | |
| C10 | O5 | sing | 1.43Å | 1.43Å | |
| C10 | H101 | sing | 1.09Å | 1.09Å | |
| C10 | H102 | sing | 1.09Å | 1.09Å | |
| O5 | C11 | sing | 1.43Å | 1.43Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | H111 | sing | 1.09Å | 1.09Å | |
| C11 | H112 | sing | 1.09Å | 1.09Å | |
| C12 | O6 | sing | 1.43Å | 1.43Å | |
| C12 | H121 | sing | 1.09Å | 1.09Å | |
| C12 | H122 | sing | 1.09Å | 1.09Å | |
| O6 | C13 | sing | 1.43Å | 1.44Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H131 | sing | 1.09Å | 1.09Å | |
| C13 | H132 | sing | 1.09Å | 1.09Å | |
| C14 | O7 | sing | 1.43Å | 1.43Å | |
| C14 | H141 | sing | 1.09Å | 1.08Å | |
| C14 | H142 | sing | 1.09Å | 1.09Å | |
| O7 | C15 | sing | 1.43Å | 1.43Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C15 | H151 | sing | 1.09Å | 1.09Å | |
| C15 | H152 | sing | 1.09Å | 1.09Å | |
| C16 | H16 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.06Å | |
| C16 | H161 | sing | 1.09Å | 1.06Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | H51 | 109.5° | 109.5° |
| C6 | C5 | H5 | 112.1° | 109.5° |
| C6 | C5 | H52 | 109.4° | 109.4° |
| C5 | C6 | O3 | 109.8° | 109.5° |
| C5 | C6 | H61 | 109.5° | 109.5° |
| C5 | C6 | H62 | 109.6° | 109.5° |
| H51 | C5 | H5 | 80.8° | 109.5° |
| H51 | C5 | H52 | 109.5° | 109.4° |
| H5 | C5 | H52 | 30.2° | 109.5° |
| O3 | C6 | H61 | 110.5° | 109.6° |
| O3 | C6 | H62 | 109.6° | 109.4° |
| C6 | O3 | C7 | 113.5° | 106.7° |
| H61 | C6 | H62 | 107.9° | 109.4° |
| O3 | C7 | C8 | 110.2° | 109.4° |
| O3 | C7 | H71 | 109.7° | 109.5° |
| O3 | C7 | H72 | 109.7° | 109.5° |
| C8 | C7 | H71 | 109.7° | 109.4° |
| C8 | C7 | H72 | 109.5° | 109.5° |
| C7 | C8 | O4 | 110.5° | 109.4° |
| C7 | C8 | H81 | 109.4° | 109.4° |
| C7 | C8 | H82 | 109.0° | 109.5° |
| H71 | C7 | H72 | 108.0° | 109.5° |
| O4 | C8 | H81 | 109.4° | 109.5° |
| O4 | C8 | H82 | 110.4° | 109.5° |
| C8 | O4 | C9 | 113.3° | 106.8° |
| H81 | C8 | H82 | 107.9° | 109.5° |
| O4 | C9 | C10 | 112.3° | 109.5° |
| O4 | C9 | H91 | 109.9° | 109.5° |
| O4 | C9 | H92 | 108.9° | 109.4° |
| C10 | C9 | H91 | 108.6° | 109.5° |
| C10 | C9 | H92 | 109.0° | 109.4° |
| C9 | C10 | O5 | 109.8° | 109.5° |
| C9 | C10 | H101 | 109.8° | 109.4° |
| C9 | C10 | H102 | 109.6° | 109.5° |
| H91 | C9 | H92 | 108.0° | 109.5° |
| O5 | C10 | H101 | 110.0° | 109.5° |
| O5 | C10 | H102 | 109.5° | 109.5° |
| C10 | O5 | C11 | 113.9° | 106.7° |
| H101 | C10 | H102 | 108.0° | 109.4° |
| O5 | C11 | C12 | 111.7° | 109.4° |
| O5 | C11 | H111 | 110.3° | 109.5° |
| O5 | C11 | H112 | 108.9° | 109.5° |
| C12 | C11 | H111 | 109.5° | 109.5° |
| C12 | C11 | H112 | 108.9° | 109.4° |
| C11 | C12 | O6 | 110.6° | 109.5° |
| C11 | C12 | H121 | 108.8° | 109.4° |
| C11 | C12 | H122 | 109.4° | 109.5° |
| H111 | C11 | H112 | 107.4° | 109.5° |
| O6 | C12 | H121 | 110.7° | 109.5° |
| O6 | C12 | H122 | 109.4° | 109.5° |
| C12 | O6 | C13 | 116.9° | 106.7° |
| H121 | C12 | H122 | 107.8° | 109.5° |
| O6 | C13 | C14 | 107.3° | 109.4° |
| O6 | C13 | H131 | 111.5° | 109.5° |
| O6 | C13 | H132 | 109.8° | 109.6° |
| C14 | C13 | H131 | 110.0° | 109.5° |
| C14 | C13 | H132 | 109.9° | 109.4° |
| C13 | C14 | O7 | 113.5° | 109.5° |
| C13 | C14 | H141 | 108.2° | 109.4° |
| C13 | C14 | H142 | 109.4° | 109.5° |
| H131 | C13 | H132 | 108.2° | 109.4° |
| O7 | C14 | H141 | 108.7° | 109.5° |
| O7 | C14 | H142 | 109.8° | 109.5° |
| C14 | O7 | C15 | 113.2° | 106.8° |
| H141 | C14 | H142 | 107.1° | 109.4° |
| O7 | C15 | C16 | 110.7° | 109.5° |
| O7 | C15 | H151 | 109.2° | 109.4° |
| O7 | C15 | H152 | 110.4° | 109.5° |
| C16 | C15 | H151 | 109.2° | 109.5° |
| C16 | C15 | H152 | 109.6° | 109.5° |
| C15 | C16 | H16 | 110.7° | 109.5° |
| C15 | C16 | H162 | 109.5° | 109.5° |
| C15 | C16 | H161 | 109.5° | 109.5° |
| H151 | C15 | H152 | 107.7° | 109.5° |
| H16 | C16 | H162 | 71.5° | 109.5° |
| H16 | C16 | H161 | 40.3° | 109.4° |
| H162 | C16 | H161 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | H51 | H5 | 110.3° | 120.1° |
| C6 | C5 | H51 | H52 | 120.0° | 119.9° |
| C6 | C5 | H5 | H52 | 90.9° | 120.0° |
| C5 | C6 | O3 | H61 | 120.8° | 120.0° |
| C5 | C6 | O3 | H62 | 120.4° | 120.0° |
| C5 | C6 | H61 | H62 | 119.2° | 119.9° |
| C5 | C6 | O3 | C7 | 134.0° | 180.0° |
| H51 | C5 | H5 | H52 | 161.6° | 120.0° |
| H51 | C5 | C6 | O3 | 33.1° | 180.0° |
| H51 | C5 | C6 | H61 | 88.3° | 59.9° |
| H51 | C5 | C6 | H62 | 153.5° | 60.0° |
| H5 | C5 | C6 | O3 | 54.7° | 59.9° |
| H5 | C5 | C6 | H61 | 176.1° | 180.0° |
| H5 | C5 | C6 | H62 | 65.7° | 60.1° |
| H52 | C5 | C6 | O3 | 86.9° | 60.1° |
| H52 | C5 | C6 | H61 | 151.7° | 60.0° |
| H52 | C5 | C6 | H62 | 33.5° | 180.0° |
| O3 | C6 | H61 | H62 | 119.8° | 120.0° |
| C6 | O3 | C7 | C8 | 176.6° | 179.9° |
| C6 | O3 | C7 | H71 | 55.7° | 60.0° |
| C6 | O3 | C7 | H72 | 62.8° | 60.1° |
| H61 | C6 | O3 | C7 | 13.2° | 60.0° |
| H62 | C6 | O3 | C7 | 105.6° | 60.0° |
| O3 | C7 | C8 | H71 | 120.9° | 120.0° |
| O3 | C7 | C8 | H72 | 120.8° | 120.0° |
| O3 | C7 | H71 | H72 | 119.5° | 120.1° |
| O3 | C7 | C8 | O4 | 149.1° | 60.0° |
| O3 | C7 | C8 | H81 | 90.3° | 60.0° |
| O3 | C7 | C8 | H82 | 27.5° | 180.0° |
| C8 | C7 | H71 | H72 | 119.3° | 120.0° |
| C7 | C8 | O4 | H81 | 120.6° | 120.0° |
| C7 | C8 | O4 | H82 | 120.7° | 120.0° |
| C7 | C8 | H81 | H82 | 118.5° | 120.0° |
| C7 | C8 | O4 | C9 | 149.7° | 180.0° |
| H71 | C7 | C8 | O4 | 90.0° | 180.0° |
| H71 | C7 | C8 | H81 | 30.5° | 60.0° |
| H71 | C7 | C8 | H82 | 148.4° | 60.0° |
| H72 | C7 | C8 | O4 | 28.3° | 60.0° |
| H72 | C7 | C8 | H81 | 148.9° | 180.0° |
| H72 | C7 | C8 | H82 | 93.3° | 60.0° |
| O4 | C8 | H81 | H82 | 120.2° | 120.0° |
| C8 | O4 | C9 | C10 | 146.7° | 180.0° |
| C8 | O4 | C9 | H91 | 25.7° | 59.9° |
| C8 | O4 | C9 | H92 | 92.4° | 60.1° |
| H81 | C8 | O4 | C9 | 89.7° | 60.0° |
| H82 | C8 | O4 | C9 | 28.9° | 60.1° |
| O4 | C9 | C10 | H91 | 121.8° | 120.1° |
| O4 | C9 | C10 | H92 | 120.8° | 119.9° |
| O4 | C9 | H91 | H92 | 118.7° | 120.0° |
| O4 | C9 | C10 | O5 | 147.2° | 59.9° |
| O4 | C9 | C10 | H101 | 91.7° | 60.1° |
| O4 | C9 | C10 | H102 | 26.8° | 180.0° |
| C10 | C9 | H91 | H92 | 118.1° | 120.0° |
| C9 | C10 | O5 | H101 | 121.0° | 120.0° |
| C9 | C10 | O5 | H102 | 120.5° | 120.0° |
| C9 | C10 | H101 | H102 | 119.5° | 119.9° |
| C9 | C10 | O5 | C11 | 82.9° | 180.0° |
| H91 | C9 | C10 | O5 | 25.4° | 180.0° |
| H91 | C9 | C10 | H101 | 146.5° | 60.0° |
| H91 | C9 | C10 | H102 | 95.0° | 59.9° |
| H92 | C9 | C10 | O5 | 92.0° | 60.0° |
| H92 | C9 | C10 | H101 | 29.1° | 180.0° |
| H92 | C9 | C10 | H102 | 147.6° | 60.1° |
| O5 | C10 | H101 | H102 | 119.5° | 120.1° |
| C10 | O5 | C11 | C12 | 162.6° | 180.0° |
| C10 | O5 | C11 | H111 | 40.6° | 60.0° |
| C10 | O5 | C11 | H112 | 77.0° | 60.1° |
| H101 | C10 | O5 | C11 | 38.1° | 60.0° |
| H102 | C10 | O5 | C11 | 156.7° | 60.0° |
| O5 | C11 | C12 | H111 | 122.5° | 120.0° |
| O5 | C11 | C12 | H112 | 120.4° | 119.9° |
| O5 | C11 | H111 | H112 | 118.6° | 120.1° |
| O5 | C11 | C12 | O6 | 50.2° | 59.9° |
| O5 | C11 | C12 | H121 | 172.1° | 60.0° |
| O5 | C11 | C12 | H122 | 70.3° | 180.0° |
| C12 | C11 | H111 | H112 | 118.1° | 119.9° |
| C11 | C12 | O6 | H121 | 120.8° | 119.9° |
| C11 | C12 | O6 | H122 | 120.6° | 120.0° |
| C11 | C12 | H121 | H122 | 118.6° | 120.0° |
| C11 | C12 | O6 | C13 | 140.7° | 180.0° |
| H111 | C11 | C12 | O6 | 72.3° | 180.0° |
| H111 | C11 | C12 | H121 | 49.6° | 60.0° |
| H111 | C11 | C12 | H122 | 167.2° | 60.0° |
| H112 | C11 | C12 | O6 | 170.6° | 60.0° |
| H112 | C11 | C12 | H121 | 67.5° | 180.0° |
| H112 | C11 | C12 | H122 | 50.0° | 60.1° |
| O6 | C12 | H121 | H122 | 119.6° | 120.1° |
| C12 | O6 | C13 | C14 | 125.4° | 180.0° |
| C12 | O6 | C13 | H131 | 4.8° | 60.0° |
| C12 | O6 | C13 | H132 | 115.2° | 60.0° |
| H121 | C12 | O6 | C13 | 19.9° | 60.1° |
| H122 | C12 | O6 | C13 | 98.8° | 60.0° |
| O6 | C13 | C14 | H131 | 121.6° | 120.0° |
| O6 | C13 | C14 | H132 | 119.4° | 120.1° |
| O6 | C13 | H131 | H132 | 120.9° | 120.1° |
| O6 | C13 | C14 | O7 | 134.1° | 60.0° |
| O6 | C13 | C14 | H141 | 13.4° | 60.0° |
| O6 | C13 | C14 | H142 | 102.9° | 180.0° |
| C14 | C13 | H131 | H132 | 120.1° | 119.9° |
| C13 | C14 | O7 | H141 | 120.4° | 120.0° |
| C13 | C14 | O7 | H142 | 122.8° | 120.1° |
| C13 | C14 | H141 | H142 | 117.8° | 120.0° |
| C13 | C14 | O7 | C15 | 169.5° | 180.0° |
| H131 | C13 | C14 | O7 | 104.3° | 180.0° |
| H131 | C13 | C14 | H141 | 135.0° | 60.0° |
| H131 | C13 | C14 | H142 | 18.6° | 59.9° |
| H132 | C13 | C14 | O7 | 14.7° | 60.1° |
| H132 | C13 | C14 | H141 | 105.9° | 179.9° |
| H132 | C13 | C14 | H142 | 137.7° | 60.0° |
| O7 | C14 | H141 | H142 | 118.5° | 120.0° |
| C14 | O7 | C15 | C16 | 76.3° | 180.0° |
| C14 | O7 | C15 | H151 | 163.4° | 60.1° |
| C14 | O7 | C15 | H152 | 45.2° | 60.0° |
| H141 | C14 | O7 | C15 | 49.2° | 60.0° |
| H142 | C14 | O7 | C15 | 67.7° | 59.9° |
| O7 | C15 | C16 | H151 | 120.3° | 119.9° |
| O7 | C15 | C16 | H152 | 122.0° | 120.0° |
| O7 | C15 | H151 | H152 | 119.9° | 120.0° |
| O7 | C15 | C16 | H16 | 180.0° | 180.0° |
| O7 | C15 | C16 | H162 | 103.1° | 59.9° |
| O7 | C15 | C16 | H161 | 136.9° | 60.1° |
| C16 | C15 | H151 | H152 | 118.9° | 120.0° |
| C15 | C16 | H16 | H162 | 104.5° | 120.0° |
| C15 | C16 | H16 | H161 | 96.0° | 120.0° |
| C15 | C16 | H162 | H161 | 120.0° | 120.0° |
| H151 | C15 | C16 | H16 | 59.7° | 60.0° |
| H151 | C15 | C16 | H162 | 136.6° | 60.0° |
| H151 | C15 | C16 | H161 | 16.6° | 180.0° |
| H152 | C15 | C16 | H16 | 58.0° | 60.0° |
| H152 | C15 | C16 | H162 | 18.9° | 180.0° |
| H152 | C15 | C16 | H161 | 101.1° | 60.0° |
| H16 | C16 | H162 | H161 | 13.9° | 119.9° |
