P6G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | sing | 1.43Å | 1.43Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.53Å | 1.45Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | O4 | sing | 1.43Å | 1.56Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| O4 | C5 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.43Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | O7 | sing | 1.43Å | 1.53Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O7 | C8 | sing | 1.43Å | 1.45Å | |
| C8 | C9 | sing | 1.53Å | 1.48Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | O10 | sing | 1.43Å | 1.61Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| O10 | C11 | sing | 1.43Å | 1.45Å | |
| C11 | C12 | sing | 1.53Å | 1.45Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | O13 | sing | 1.43Å | 1.58Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| O13 | C14 | sing | 1.43Å | 1.43Å | |
| C14 | C15 | sing | 1.53Å | 1.45Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | O16 | sing | 1.43Å | 1.57Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| O16 | C17 | sing | 1.43Å | 1.44Å | |
| C17 | C18 | sing | 1.53Å | 1.44Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | O19 | sing | 1.43Å | 1.59Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| O19 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | O1 | H1 | 109.5° | 114.0° |
| O1 | C2 | C3 | 131.1° | 109.5° |
| O1 | C2 | H21 | 102.8° | 109.4° |
| O1 | C2 | H22 | 102.8° | 109.5° |
| C3 | C2 | H21 | 102.8° | 109.5° |
| C3 | C2 | H22 | 102.8° | 109.5° |
| C2 | C3 | O4 | 114.9° | 109.5° |
| C2 | C3 | H31 | 107.7° | 109.5° |
| C2 | C3 | H32 | 107.7° | 109.4° |
| H21 | C2 | H22 | 115.2° | 109.5° |
| O4 | C3 | H31 | 107.7° | 109.5° |
| O4 | C3 | H32 | 107.7° | 109.4° |
| C3 | O4 | C5 | 113.6° | 114.0° |
| H31 | C3 | H32 | 111.2° | 109.5° |
| O4 | C5 | C6 | 106.8° | 109.4° |
| O4 | C5 | H51 | 110.4° | 109.5° |
| O4 | C5 | H52 | 110.3° | 109.4° |
| C6 | C5 | H51 | 110.3° | 109.5° |
| C6 | C5 | H52 | 110.4° | 109.5° |
| C5 | C6 | O7 | 117.1° | 109.5° |
| C5 | C6 | H61 | 107.0° | 109.4° |
| C5 | C6 | H62 | 107.0° | 109.5° |
| H51 | C5 | H52 | 108.6° | 109.5° |
| O7 | C6 | H61 | 107.0° | 109.4° |
| O7 | C6 | H62 | 107.0° | 109.5° |
| C6 | O7 | C8 | 113.1° | 114.0° |
| H61 | C6 | H62 | 111.8° | 109.5° |
| O7 | C8 | C9 | 111.3° | 109.5° |
| O7 | C8 | H81 | 108.9° | 109.4° |
| O7 | C8 | H82 | 108.9° | 109.5° |
| C9 | C8 | H81 | 108.9° | 109.4° |
| C9 | C8 | H82 | 108.9° | 109.5° |
| C8 | C9 | O10 | 116.1° | 109.5° |
| C8 | C9 | H91 | 107.4° | 109.5° |
| C8 | C9 | H92 | 107.3° | 109.5° |
| H81 | C8 | H82 | 110.1° | 109.5° |
| O10 | C9 | H91 | 107.3° | 109.5° |
| O10 | C9 | H92 | 107.3° | 109.5° |
| C9 | O10 | C11 | 118.2° | 114.0° |
| H91 | C9 | H92 | 111.5° | 109.4° |
| O10 | C11 | C12 | 110.8° | 109.5° |
| O10 | C11 | H111 | 109.0° | 109.4° |
| O10 | C11 | H112 | 109.0° | 109.5° |
| C12 | C11 | H111 | 109.0° | 109.5° |
| C12 | C11 | H112 | 109.0° | 109.5° |
| C11 | C12 | O13 | 116.7° | 109.5° |
| C11 | C12 | H121 | 107.1° | 109.5° |
| C11 | C12 | H122 | 107.1° | 109.4° |
| H111 | C11 | H112 | 109.9° | 109.4° |
| O13 | C12 | H121 | 107.1° | 109.5° |
| O13 | C12 | H122 | 107.1° | 109.4° |
| C12 | O13 | C14 | 117.7° | 114.0° |
| H121 | C12 | H122 | 111.7° | 109.5° |
| O13 | C14 | C15 | 113.2° | 109.5° |
| O13 | C14 | H141 | 108.3° | 109.4° |
| O13 | C14 | H142 | 108.3° | 109.4° |
| C15 | C14 | H141 | 108.2° | 109.5° |
| C15 | C14 | H142 | 108.3° | 109.5° |
| C14 | C15 | O16 | 116.6° | 109.5° |
| C14 | C15 | H151 | 107.2° | 109.5° |
| C14 | C15 | H152 | 107.1° | 109.5° |
| H141 | C14 | H142 | 110.6° | 109.5° |
| O16 | C15 | H151 | 107.1° | 109.4° |
| O16 | C15 | H152 | 107.2° | 109.4° |
| C15 | O16 | C17 | 117.4° | 114.0° |
| H151 | C15 | H152 | 111.7° | 109.5° |
| O16 | C17 | C18 | 108.4° | 109.5° |
| O16 | C17 | H171 | 109.8° | 109.5° |
| O16 | C17 | H172 | 109.8° | 109.5° |
| C18 | C17 | H171 | 109.8° | 109.4° |
| C18 | C17 | H172 | 109.8° | 109.5° |
| C17 | C18 | O19 | 113.3° | 109.5° |
| C17 | C18 | H181 | 108.2° | 109.5° |
| C17 | C18 | H182 | 108.2° | 109.5° |
| H171 | C17 | H172 | 109.1° | 109.5° |
| O19 | C18 | H181 | 108.3° | 109.5° |
| O19 | C18 | H182 | 108.2° | 109.5° |
| C18 | O19 | H19 | 109.5° | 114.0° |
| H181 | C18 | H182 | 110.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C3 | H21 | 120.0° | 120.0° |
| O1 | C2 | C3 | H22 | 120.0° | 120.0° |
| O1 | C2 | H21 | H22 | 111.0° | 120.0° |
| O1 | C2 | C3 | O4 | 17.6° | 64.9° |
| O1 | C2 | C3 | H31 | 102.4° | 175.0° |
| O1 | C2 | C3 | H32 | 137.6° | 55.0° |
| H1 | O1 | C2 | C3 | 180.0° | 180.0° |
| H1 | O1 | C2 | H21 | 60.0° | 60.0° |
| H1 | O1 | C2 | H22 | 60.0° | 59.9° |
| C3 | C2 | H21 | H22 | 111.0° | 120.0° |
| C2 | C3 | O4 | H31 | 120.0° | 120.1° |
| C2 | C3 | O4 | H32 | 120.0° | 119.9° |
| C2 | C3 | H31 | H32 | 117.7° | 120.0° |
| C2 | C3 | O4 | C5 | 151.3° | 180.0° |
| H21 | C2 | C3 | O4 | 137.5° | 55.1° |
| H21 | C2 | C3 | H31 | 17.6° | 65.0° |
| H21 | C2 | C3 | H32 | 102.4° | 175.0° |
| H22 | C2 | C3 | O4 | 102.5° | 175.1° |
| H22 | C2 | C3 | H31 | 137.5° | 54.9° |
| H22 | C2 | C3 | H32 | 17.6° | 65.0° |
| O4 | C3 | H31 | H32 | 117.8° | 119.9° |
| C3 | O4 | C5 | C6 | 159.5° | 180.0° |
| C3 | O4 | C5 | H51 | 39.6° | 59.9° |
| C3 | O4 | C5 | H52 | 80.4° | 60.1° |
| H31 | C3 | O4 | C5 | 31.3° | 59.9° |
| H32 | C3 | O4 | C5 | 88.7° | 60.1° |
| O4 | C5 | C6 | H51 | 120.0° | 120.0° |
| O4 | C5 | C6 | H52 | 120.0° | 119.9° |
| O4 | C5 | H51 | H52 | 121.1° | 120.0° |
| O4 | C5 | C6 | O7 | 54.0° | 65.1° |
| O4 | C5 | C6 | H61 | 66.0° | 175.0° |
| O4 | C5 | C6 | H62 | 174.0° | 55.0° |
| C6 | C5 | H51 | H52 | 121.1° | 120.1° |
| C5 | C6 | O7 | H61 | 120.0° | 120.0° |
| C5 | C6 | O7 | H62 | 120.0° | 120.1° |
| C5 | C6 | H61 | H62 | 116.9° | 120.0° |
| C5 | C6 | O7 | C8 | 142.7° | 180.0° |
| H51 | C5 | C6 | O7 | 174.0° | 54.9° |
| H51 | C5 | C6 | H61 | 54.0° | 65.0° |
| H51 | C5 | C6 | H62 | 66.0° | 175.0° |
| H52 | C5 | C6 | O7 | 66.0° | 175.0° |
| H52 | C5 | C6 | H61 | 174.0° | 55.0° |
| H52 | C5 | C6 | H62 | 54.0° | 65.0° |
| O7 | C6 | H61 | H62 | 116.9° | 120.0° |
| C6 | O7 | C8 | C9 | 180.0° | 180.0° |
| C6 | O7 | C8 | H81 | 60.0° | 60.0° |
| C6 | O7 | C8 | H82 | 60.0° | 59.9° |
| H61 | C6 | O7 | C8 | 97.3° | 60.0° |
| H62 | C6 | O7 | C8 | 22.7° | 59.9° |
| O7 | C8 | C9 | H81 | 120.0° | 120.0° |
| O7 | C8 | C9 | H82 | 120.0° | 120.1° |
| O7 | C8 | H81 | H82 | 119.2° | 120.0° |
| O7 | C8 | C9 | O10 | 92.4° | 65.0° |
| O7 | C8 | C9 | H91 | 27.6° | 175.0° |
| O7 | C8 | C9 | H92 | 147.6° | 55.0° |
| C9 | C8 | H81 | H82 | 119.3° | 120.0° |
| C8 | C9 | O10 | H91 | 120.0° | 120.1° |
| C8 | C9 | O10 | H92 | 120.0° | 120.0° |
| C8 | C9 | H91 | H92 | 117.3° | 120.0° |
| C8 | C9 | O10 | C11 | 106.7° | 180.0° |
| H81 | C8 | C9 | O10 | 147.6° | 55.0° |
| H81 | C8 | C9 | H91 | 92.4° | 65.1° |
| H81 | C8 | C9 | H92 | 27.6° | 175.0° |
| H82 | C8 | C9 | O10 | 27.6° | 175.0° |
| H82 | C8 | C9 | H91 | 147.6° | 54.9° |
| H82 | C8 | C9 | H92 | 92.4° | 65.0° |
| O10 | C9 | H91 | H92 | 117.3° | 120.0° |
| C9 | O10 | C11 | C12 | 179.6° | 180.0° |
| C9 | O10 | C11 | H111 | 59.6° | 60.0° |
| C9 | O10 | C11 | H112 | 60.4° | 60.0° |
| H91 | C9 | O10 | C11 | 133.2° | 60.0° |
| H92 | C9 | O10 | C11 | 13.3° | 60.0° |
| O10 | C11 | C12 | H111 | 120.0° | 120.0° |
| O10 | C11 | C12 | H112 | 120.0° | 120.1° |
| O10 | C11 | H111 | H112 | 119.5° | 120.0° |
| O10 | C11 | C12 | O13 | 103.6° | 64.9° |
| O10 | C11 | C12 | H121 | 16.4° | 175.0° |
| O10 | C11 | C12 | H122 | 136.4° | 55.0° |
| C12 | C11 | H111 | H112 | 119.5° | 120.0° |
| C11 | C12 | O13 | H121 | 120.0° | 120.1° |
| C11 | C12 | O13 | H122 | 120.0° | 119.9° |
| C11 | C12 | H121 | H122 | 117.0° | 120.0° |
| C11 | C12 | O13 | C14 | 121.0° | 180.0° |
| H111 | C11 | C12 | O13 | 136.4° | 55.1° |
| H111 | C11 | C12 | H121 | 103.6° | 65.0° |
| H111 | C11 | C12 | H122 | 16.4° | 175.0° |
| H112 | C11 | C12 | O13 | 16.4° | 175.0° |
| H112 | C11 | C12 | H121 | 136.4° | 54.9° |
| H112 | C11 | C12 | H122 | 103.6° | 65.1° |
| O13 | C12 | H121 | H122 | 117.0° | 120.0° |
| C12 | O13 | C14 | C15 | 179.1° | 180.0° |
| C12 | O13 | C14 | H141 | 60.9° | 59.9° |
| C12 | O13 | C14 | H142 | 59.1° | 60.1° |
| H121 | C12 | O13 | C14 | 118.9° | 59.9° |
| H122 | C12 | O13 | C14 | 1.1° | 60.1° |
| O13 | C14 | C15 | H141 | 120.0° | 120.0° |
| O13 | C14 | C15 | H142 | 120.0° | 120.0° |
| O13 | C14 | H141 | H142 | 118.5° | 119.9° |
| O13 | C14 | C15 | O16 | 0.1° | 65.0° |
| O13 | C14 | C15 | H151 | 119.9° | 175.0° |
| O13 | C14 | C15 | H152 | 120.1° | 55.0° |
| C15 | C14 | H141 | H142 | 118.5° | 120.0° |
| C14 | C15 | O16 | H151 | 120.0° | 120.0° |
| C14 | C15 | O16 | H152 | 120.0° | 120.0° |
| C14 | C15 | H151 | H152 | 117.1° | 120.0° |
| C14 | C15 | O16 | C17 | 143.7° | 180.0° |
| H141 | C14 | C15 | O16 | 120.1° | 55.0° |
| H141 | C14 | C15 | H151 | 0.1° | 65.0° |
| H141 | C14 | C15 | H152 | 119.9° | 175.0° |
| H142 | C14 | C15 | O16 | 119.9° | 175.0° |
| H142 | C14 | C15 | H151 | 120.1° | 55.0° |
| H142 | C14 | C15 | H152 | 0.1° | 65.0° |
| O16 | C15 | H151 | H152 | 117.1° | 119.9° |
| C15 | O16 | C17 | C18 | 158.3° | 180.0° |
| C15 | O16 | C17 | H171 | 38.3° | 60.0° |
| C15 | O16 | C17 | H172 | 81.7° | 60.0° |
| H151 | C15 | O16 | C17 | 96.3° | 60.0° |
| H152 | C15 | O16 | C17 | 23.7° | 60.0° |
| O16 | C17 | C18 | H171 | 120.0° | 120.0° |
| O16 | C17 | C18 | H172 | 120.0° | 120.0° |
| O16 | C17 | H171 | H172 | 120.4° | 120.0° |
| O16 | C17 | C18 | O19 | 119.1° | 65.0° |
| O16 | C17 | C18 | H181 | 0.9° | 175.0° |
| O16 | C17 | C18 | H182 | 120.9° | 55.0° |
| C18 | C17 | H171 | H172 | 120.4° | 120.0° |
| C17 | C18 | O19 | H181 | 120.0° | 120.0° |
| C17 | C18 | O19 | H182 | 120.0° | 120.0° |
| C17 | C18 | H181 | H182 | 118.4° | 120.0° |
| C17 | C18 | O19 | H19 | 180.0° | 180.0° |
| H171 | C17 | C18 | O19 | 120.9° | 55.0° |
| H171 | C17 | C18 | H181 | 119.1° | 65.0° |
| H171 | C17 | C18 | H182 | 0.9° | 175.0° |
| H172 | C17 | C18 | O19 | 0.9° | 175.0° |
| H172 | C17 | C18 | H181 | 120.9° | 55.0° |
| H172 | C17 | C18 | H182 | 119.1° | 65.0° |
| O19 | C18 | H181 | H182 | 118.5° | 120.0° |
| H181 | C18 | O19 | H19 | 60.0° | 60.0° |
| H182 | C18 | O19 | H19 | 60.0° | 60.0° |
