GR0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.45Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| O1 | PA | sing | 1.61Å | 1.54Å | |
| C2 | C3 | doub | 1.31Å | 1.36Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | C5 | sing | 1.51Å | 1.52Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | C8 | doub | 1.31Å | 1.34Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | C10 | sing | 1.51Å | 1.52Å | |
| C9 | C11 | sing | 1.53Å | 1.49Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| PA | O1A | doub | 1.48Å | 1.50Å | |
| PA | O2A | sing | 1.61Å | 1.54Å | |
| PA | O3A | sing | 1.61Å | 1.57Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | C13 | doub | 1.31Å | 1.36Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C13 | C15 | sing | 1.51Å | 1.51Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C17 | C18 | doub | 1.31Å | 1.35Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | sing | 1.51Å | 1.50Å | |
| C18 | C20 | sing | 1.51Å | 1.51Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| O2A | H34 | sing | 0.97Å | 0.95Å | |
| O3A | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 106.6° | 109.5° |
| O1 | C1 | H1 | 110.4° | 109.5° |
| O1 | C1 | H1A | 110.5° | 109.4° |
| C1 | O1 | PA | 119.6° | 123.0° |
| C2 | C1 | H1 | 110.4° | 109.5° |
| C2 | C1 | H1A | 110.4° | 109.5° |
| C1 | C2 | C3 | 123.1° | 120.0° |
| C1 | C2 | H2 | 118.4° | 120.0° |
| H1 | C1 | H1A | 108.5° | 109.5° |
| O1 | PA | O1A | 112.6° | 109.5° |
| O1 | PA | O2A | 105.5° | 109.5° |
| O1 | PA | O3A | 108.0° | 109.5° |
| C3 | C2 | H2 | 118.4° | 120.0° |
| C2 | C3 | C4 | 121.7° | 120.0° |
| C2 | C3 | C5 | 121.5° | 120.0° |
| C4 | C3 | C5 | 116.7° | 120.0° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| C3 | C4 | H4A | 109.5° | 109.5° |
| C3 | C4 | H4B | 109.5° | 109.5° |
| C3 | C5 | C6 | 111.8° | 109.5° |
| C3 | C5 | H5 | 108.7° | 109.5° |
| C3 | C5 | H5A | 108.7° | 109.5° |
| H4 | C4 | H4A | 109.5° | 109.4° |
| H4 | C4 | H4B | 109.4° | 109.4° |
| H4A | C4 | H4B | 109.5° | 109.5° |
| C6 | C5 | H5 | 108.7° | 109.4° |
| C6 | C5 | H5A | 108.7° | 109.5° |
| C5 | C6 | C7 | 110.5° | 109.5° |
| C5 | C6 | H6 | 109.1° | 109.4° |
| C5 | C6 | H6A | 109.1° | 109.5° |
| H5 | C5 | H5A | 110.2° | 109.5° |
| C7 | C6 | H6 | 109.1° | 109.5° |
| C7 | C6 | H6A | 109.1° | 109.5° |
| C6 | C7 | C8 | 120.8° | 120.0° |
| C6 | C7 | H7 | 119.6° | 120.0° |
| H6 | C6 | H6A | 109.8° | 109.5° |
| C8 | C7 | H7 | 119.6° | 120.0° |
| C7 | C8 | C9 | 119.4° | 120.0° |
| C7 | C8 | C10 | 120.8° | 120.0° |
| C9 | C8 | C10 | 119.7° | 120.0° |
| C8 | C9 | C11 | 112.1° | 109.5° |
| C8 | C9 | H9 | 108.6° | 109.5° |
| C8 | C9 | H9A | 108.6° | 109.5° |
| C8 | C10 | H10 | 109.5° | 109.5° |
| C8 | C10 | H10A | 109.5° | 109.5° |
| C8 | C10 | H10B | 109.5° | 109.5° |
| C11 | C9 | H9 | 108.6° | 109.4° |
| C11 | C9 | H9A | 108.6° | 109.4° |
| C9 | C11 | C12 | 109.0° | 109.5° |
| C9 | C11 | H11 | 109.6° | 109.4° |
| C9 | C11 | H11A | 109.6° | 109.5° |
| H9 | C9 | H9A | 110.3° | 109.5° |
| O1A | PA | O2A | 112.0° | 109.5° |
| O1A | PA | O3A | 112.4° | 109.5° |
| O2A | PA | O3A | 105.9° | 109.5° |
| PA | O2A | H34 | 109.5° | 114.0° |
| PA | O3A | H35 | 109.5° | 114.0° |
| H10 | C10 | H10A | 109.5° | 109.4° |
| H10 | C10 | H10B | 109.4° | 109.4° |
| H10A | C10 | H10B | 109.5° | 109.4° |
| C12 | C11 | H11 | 109.7° | 109.5° |
| C12 | C11 | H11A | 109.6° | 109.5° |
| C11 | C12 | C13 | 123.3° | 120.0° |
| C11 | C12 | H12 | 118.3° | 120.0° |
| H11 | C11 | H11A | 109.3° | 109.4° |
| C13 | C12 | H12 | 118.4° | 120.0° |
| C12 | C13 | C14 | 121.4° | 120.0° |
| C12 | C13 | C15 | 120.5° | 120.0° |
| C14 | C13 | C15 | 118.1° | 120.0° |
| C13 | C14 | H14 | 109.5° | 109.5° |
| C13 | C14 | H14A | 109.4° | 109.5° |
| C13 | C14 | H14B | 109.5° | 109.4° |
| C13 | C15 | C16 | 113.6° | 109.4° |
| C13 | C15 | H15 | 108.1° | 109.5° |
| C13 | C15 | H15A | 108.1° | 109.5° |
| H14 | C14 | H14A | 109.5° | 109.5° |
| H14 | C14 | H14B | 109.5° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| C16 | C15 | H15 | 108.1° | 109.5° |
| C16 | C15 | H15A | 108.1° | 109.5° |
| C15 | C16 | C17 | 107.3° | 109.4° |
| C15 | C16 | H16 | 110.2° | 109.4° |
| C15 | C16 | H16A | 110.2° | 109.5° |
| H15 | C15 | H15A | 110.8° | 109.5° |
| C17 | C16 | H16 | 110.2° | 109.5° |
| C17 | C16 | H16A | 110.2° | 109.5° |
| C16 | C17 | C18 | 125.4° | 120.0° |
| C16 | C17 | H17 | 117.3° | 120.0° |
| H16 | C16 | H16A | 108.7° | 109.5° |
| C18 | C17 | H17 | 117.3° | 120.0° |
| C17 | C18 | C19 | 119.3° | 120.0° |
| C17 | C18 | C20 | 122.7° | 120.0° |
| C19 | C18 | C20 | 118.0° | 120.0° |
| C18 | C19 | H19 | 109.5° | 109.4° |
| C18 | C19 | H19A | 109.4° | 109.4° |
| C18 | C19 | H19B | 109.5° | 109.5° |
| C18 | C20 | H20 | 109.5° | 109.5° |
| C18 | C20 | H20A | 109.5° | 109.5° |
| C18 | C20 | H20B | 109.5° | 109.5° |
| H19 | C19 | H19A | 109.5° | 109.5° |
| H19 | C19 | H19B | 109.4° | 109.5° |
| H19A | C19 | H19B | 109.5° | 109.5° |
| H20 | C20 | H20A | 109.5° | 109.4° |
| H20 | C20 | H20B | 109.4° | 109.4° |
| H20A | C20 | H20B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H1 | 120.0° | 120.0° |
| O1 | C1 | C2 | H1A | 120.0° | 119.9° |
| O1 | C1 | H1 | H1A | 121.2° | 119.9° |
| O1 | C1 | C2 | C3 | 105.6° | 133.7° |
| O1 | C1 | C2 | H2 | 74.3° | 46.3° |
| C1 | O1 | PA | O1A | 63.0° | 55.0° |
| C1 | O1 | PA | O2A | 174.5° | 65.0° |
| C1 | O1 | PA | O3A | 61.6° | 175.0° |
| C2 | C1 | H1 | H1A | 121.1° | 120.1° |
| C2 | C1 | O1 | PA | 156.9° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 63.3° | 5.4° |
| C1 | C2 | C3 | C5 | 117.9° | 174.6° |
| H1 | C1 | O1 | PA | 83.1° | 60.0° |
| H1 | C1 | C2 | C3 | 14.3° | 106.3° |
| H1 | C1 | C2 | H2 | 165.7° | 73.7° |
| H1A | C1 | O1 | PA | 36.9° | 60.0° |
| H1A | C1 | C2 | C3 | 134.3° | 13.7° |
| H1A | C1 | C2 | H2 | 45.7° | 166.3° |
| O1 | PA | O1A | O2A | 118.7° | 120.0° |
| O1 | PA | O1A | O3A | 122.2° | 120.0° |
| O1 | PA | O2A | O3A | 114.3° | 120.0° |
| O1 | PA | O2A | H34 | 122.8° | 60.0° |
| O1 | PA | O3A | H35 | 124.7° | 180.0° |
| C2 | C3 | C4 | C5 | 178.9° | 180.0° |
| C2 | C3 | C4 | H4 | 180.0° | 84.2° |
| C2 | C3 | C4 | H4A | 60.0° | 155.9° |
| C2 | C3 | C4 | H4B | 60.0° | 35.8° |
| C2 | C3 | C5 | C6 | 101.4° | 95.0° |
| C2 | C3 | C5 | H5 | 18.6° | 145.1° |
| C2 | C3 | C5 | H5A | 138.6° | 25.0° |
| H2 | C2 | C3 | C4 | 116.7° | 174.5° |
| H2 | C2 | C3 | C5 | 62.1° | 5.4° |
| C3 | C4 | H4 | H4A | 120.0° | 120.0° |
| C3 | C4 | H4 | H4B | 120.0° | 120.0° |
| C3 | C4 | H4A | H4B | 120.0° | 120.0° |
| C4 | C3 | C5 | C6 | 79.7° | 85.0° |
| C4 | C3 | C5 | H5 | 160.3° | 35.0° |
| C4 | C3 | C5 | H5A | 40.3° | 155.0° |
| C5 | C3 | C4 | H4 | 1.1° | 95.9° |
| C5 | C3 | C4 | H4A | 118.9° | 24.1° |
| C5 | C3 | C4 | H4B | 121.1° | 144.2° |
| C3 | C5 | C6 | H5 | 120.0° | 120.0° |
| C3 | C5 | C6 | H5A | 120.0° | 120.0° |
| C3 | C5 | H5 | H5A | 119.1° | 120.1° |
| C3 | C5 | C6 | C7 | 125.2° | 180.0° |
| C3 | C5 | C6 | H6 | 5.2° | 60.0° |
| C3 | C5 | C6 | H6A | 114.8° | 60.0° |
| H4 | C4 | H4A | H4B | 120.0° | 120.0° |
| C6 | C5 | H5 | H5A | 119.0° | 120.0° |
| C5 | C6 | C7 | H6 | 120.0° | 119.9° |
| C5 | C6 | C7 | H6A | 120.0° | 120.0° |
| C5 | C6 | H6 | H6A | 119.6° | 120.0° |
| C5 | C6 | C7 | C8 | 133.1° | 119.1° |
| C5 | C6 | C7 | H7 | 46.9° | 60.9° |
| H5 | C5 | C6 | C7 | 114.9° | 60.0° |
| H5 | C5 | C6 | H6 | 125.2° | 180.0° |
| H5 | C5 | C6 | H6A | 5.1° | 60.0° |
| H5A | C5 | C6 | C7 | 5.1° | 60.0° |
| H5A | C5 | C6 | H6 | 114.8° | 60.0° |
| H5A | C5 | C6 | H6A | 125.1° | NaN° |
| C7 | C6 | H6 | H6A | 119.6° | 120.1° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 84.8° | 6.6° |
| C6 | C7 | C8 | C10 | 94.3° | 173.5° |
| H6 | C6 | C7 | C8 | 13.1° | 0.8° |
| H6 | C6 | C7 | H7 | 166.9° | 179.2° |
| H6A | C6 | C7 | C8 | 106.9° | 120.9° |
| H6A | C6 | C7 | H7 | 73.1° | 59.2° |
| C7 | C8 | C9 | C10 | 179.1° | 180.0° |
| C7 | C8 | C9 | C11 | 109.5° | 92.6° |
| C7 | C8 | C9 | H9 | 130.5° | 147.4° |
| C7 | C8 | C9 | H9A | 10.6° | 27.3° |
| C7 | C8 | C10 | H10 | 180.0° | 90.0° |
| C7 | C8 | C10 | H10A | 60.0° | 150.0° |
| C7 | C8 | C10 | H10B | 60.0° | 30.0° |
| H7 | C7 | C8 | C9 | 95.1° | 173.4° |
| H7 | C7 | C8 | C10 | 85.7° | 6.5° |
| C8 | C9 | C11 | H9 | 120.0° | 120.0° |
| C8 | C9 | C11 | H9A | 120.0° | 120.0° |
| C8 | C9 | H9 | H9A | 118.9° | 120.1° |
| C9 | C8 | C10 | H10 | 0.9° | 90.0° |
| C9 | C8 | C10 | H10A | 120.9° | 30.0° |
| C9 | C8 | C10 | H10B | 119.1° | 150.0° |
| C8 | C9 | C11 | C12 | 113.1° | 180.0° |
| C8 | C9 | C11 | H11 | 6.9° | 60.0° |
| C8 | C9 | C11 | H11A | 126.9° | 60.0° |
| C10 | C8 | C9 | C11 | 71.4° | 87.4° |
| C10 | C8 | C9 | H9 | 48.6° | 32.5° |
| C10 | C8 | C9 | H9A | 168.6° | 152.6° |
| C8 | C10 | H10 | H10A | 120.0° | 120.1° |
| C8 | C10 | H10 | H10B | 120.0° | 120.0° |
| C8 | C10 | H10A | H10B | 120.0° | 120.1° |
| C11 | C9 | H9 | H9A | 118.9° | 119.9° |
| C9 | C11 | C12 | H11 | 120.0° | 120.0° |
| C9 | C11 | C12 | H11A | 120.0° | 120.0° |
| C9 | C11 | H11 | H11A | 120.2° | 119.9° |
| C9 | C11 | C12 | C13 | 106.7° | 128.5° |
| C9 | C11 | C12 | H12 | 73.4° | 51.5° |
| H9 | C9 | C11 | C12 | 126.9° | 60.0° |
| H9 | C9 | C11 | H11 | 113.1° | 180.0° |
| H9 | C9 | C11 | H11A | 6.9° | 60.1° |
| H9A | C9 | C11 | C12 | 6.9° | 60.0° |
| H9A | C9 | C11 | H11 | 126.9° | 60.0° |
| H9A | C9 | C11 | H11A | 113.1° | 180.0° |
| O1A | PA | O2A | O3A | 122.9° | 120.0° |
| O1A | PA | O2A | H34 | 0.0° | 180.0° |
| O1A | PA | O3A | H35 | 0.0° | 60.0° |
| O2A | PA | O3A | H35 | 122.7° | 60.0° |
| O3A | PA | O2A | H34 | 122.9° | 60.0° |
| H10 | C10 | H10A | H10B | 120.0° | 119.9° |
| C12 | C11 | H11 | H11A | 120.2° | 120.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.0° | 4.9° |
| C11 | C12 | C13 | C15 | 179.6° | 175.1° |
| H11 | C11 | C12 | C13 | 133.4° | 111.6° |
| H11 | C11 | C12 | H12 | 46.6° | 68.4° |
| H11A | C11 | C12 | C13 | 13.4° | 8.4° |
| H11A | C11 | C12 | H12 | 166.6° | 171.6° |
| C12 | C13 | C14 | C15 | 179.6° | 180.0° |
| C12 | C13 | C14 | H14 | 180.0° | 84.4° |
| C12 | C13 | C14 | H14A | 60.0° | 155.6° |
| C12 | C13 | C14 | H14B | 60.0° | 35.6° |
| C12 | C13 | C15 | C16 | 92.7° | 95.0° |
| C12 | C13 | C15 | H15 | 27.3° | 145.0° |
| C12 | C13 | C15 | H15A | 147.3° | 25.0° |
| H12 | C12 | C13 | C14 | 180.0° | 175.1° |
| H12 | C12 | C13 | C15 | 0.4° | 4.9° |
| C13 | C14 | H14 | H14A | 120.0° | 120.0° |
| C13 | C14 | H14 | H14B | 120.0° | 120.0° |
| C13 | C14 | H14A | H14B | 120.0° | 119.9° |
| C14 | C13 | C15 | C16 | 87.7° | 85.0° |
| C14 | C13 | C15 | H15 | 152.3° | 35.0° |
| C14 | C13 | C15 | H15A | 32.3° | 155.0° |
| C15 | C13 | C14 | H14 | 0.4° | 95.6° |
| C15 | C13 | C14 | H14A | 119.6° | 24.4° |
| C15 | C13 | C14 | H14B | 120.4° | 144.4° |
| C13 | C15 | C16 | H15 | 120.0° | 120.0° |
| C13 | C15 | C16 | H15A | 120.0° | 120.0° |
| C13 | C15 | H15 | H15A | 118.3° | 120.0° |
| C13 | C15 | C16 | C17 | 156.5° | 180.0° |
| C13 | C15 | C16 | H16 | 36.5° | 60.0° |
| C13 | C15 | C16 | H16A | 83.5° | 60.0° |
| H14 | C14 | H14A | H14B | 120.0° | 120.0° |
| C16 | C15 | H15 | H15A | 118.3° | 120.1° |
| C15 | C16 | C17 | H16 | 120.0° | 119.9° |
| C15 | C16 | C17 | H16A | 120.0° | 120.0° |
| C15 | C16 | H16 | H16A | 120.9° | 120.0° |
| C15 | C16 | C17 | C18 | 103.3° | 116.0° |
| C15 | C16 | C17 | H17 | 76.7° | 64.0° |
| H15 | C15 | C16 | C17 | 83.5° | 60.1° |
| H15 | C15 | C16 | H16 | 156.5° | 180.0° |
| H15 | C15 | C16 | H16A | 36.5° | 59.9° |
| H15A | C15 | C16 | C17 | 36.6° | 60.0° |
| H15A | C15 | C16 | H16 | 83.5° | 60.0° |
| H15A | C15 | C16 | H16A | 156.5° | 180.0° |
| C17 | C16 | H16 | H16A | 120.9° | 120.0° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 180.0° | 2.6° |
| C16 | C17 | C18 | C20 | 0.1° | 177.4° |
| H16 | C16 | C17 | C18 | 136.7° | 3.9° |
| H16 | C16 | C17 | H17 | 43.3° | 176.0° |
| H16A | C16 | C17 | C18 | 16.6° | 124.0° |
| H16A | C16 | C17 | H17 | 163.3° | 56.0° |
| C17 | C18 | C19 | C20 | 179.9° | 180.0° |
| C17 | C18 | C19 | H19 | 180.0° | 88.9° |
| C17 | C18 | C19 | H19A | 60.0° | 151.2° |
| C17 | C18 | C19 | H19B | 60.0° | 31.1° |
| C17 | C18 | C20 | H20 | 180.0° | 0.0° |
| C17 | C18 | C20 | H20A | 60.0° | 120.0° |
| C17 | C18 | C20 | H20B | 60.0° | 120.0° |
| H17 | C17 | C18 | C19 | 0.0° | 177.5° |
| H17 | C17 | C18 | C20 | 179.9° | 2.5° |
| C18 | C19 | H19 | H19A | 120.0° | 119.9° |
| C18 | C19 | H19 | H19B | 120.0° | 120.0° |
| C18 | C19 | H19A | H19B | 120.0° | 120.0° |
| C19 | C18 | C20 | H20 | 0.1° | 180.0° |
| C19 | C18 | C20 | H20A | 119.9° | 60.0° |
| C19 | C18 | C20 | H20B | 120.1° | 60.0° |
| C20 | C18 | C19 | H19 | 0.1° | 91.2° |
| C20 | C18 | C19 | H19A | 120.1° | 28.8° |
| C20 | C18 | C19 | H19B | 119.9° | 148.9° |
| C18 | C20 | H20 | H20A | 120.0° | 120.0° |
| C18 | C20 | H20 | H20B | 120.0° | 120.0° |
| C18 | C20 | H20A | H20B | 120.0° | 120.0° |
| H19 | C19 | H19A | H19B | 120.0° | 120.0° |
| H20 | C20 | H20A | H20B | 120.0° | 119.9° |
