GGP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.57Å | |
| C1 | O6 | sing | 1.42Å | 1.49Å | |
| C1 | C30 | sing | 1.53Å | 1.53Å | |
| C1 | HC1 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.60Å | |
| C2 | O32 | sing | 1.45Å | 1.46Å | |
| C2 | HC2 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.58Å | |
| C3 | O56 | sing | 1.45Å | 1.47Å | |
| C3 | HC3 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.57Å | |
| C4 | O44 | sing | 1.45Å | 1.46Å | |
| C4 | HC4 | sing | 1.09Å | 1.10Å | |
| C5 | O6 | sing | 1.43Å | 1.50Å | |
| C5 | O7 | sing | 1.45Å | 2.88Å | |
| C5 | HC5 | sing | 1.09Å | 1.11Å | |
| O7 | C8 | sing | 1.35Å | 1.24Å | |
| C8 | O9 | doub | 1.22Å | 1.40Å | |
| C8 | C10 | sing | 1.48Å | 1.50Å | |
| C10 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | O13 | sing | 1.36Å | 1.37Å | |
| C12 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| O13 | H13 | sing | 0.97Å | 0.96Å | |
| C14 | O15 | sing | 1.36Å | 1.37Å | |
| C14 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| O15 | H15 | sing | 0.97Å | 0.96Å | |
| C16 | O17 | sing | 1.36Å | 1.37Å | |
| C16 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| O17 | H17 | sing | 0.97Å | 0.96Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | O20 | doub | 1.22Å | 1.24Å | |
| C19 | C21 | sing | 1.47Å | 1.50Å | |
| C19 | O31 | sing | 1.35Å | 1.40Å | |
| C21 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
| C21 | C29 | sing | 1.40Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | O24 | sing | 1.36Å | 1.37Å | |
| C23 | C25 | doub | 1.39Å | 1.38Å | Aromatic |
| O24 | H24 | sing | 0.97Å | 0.96Å | |
| C25 | O26 | sing | 1.36Å | 1.37Å | |
| C25 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| O26 | H26 | sing | 0.97Å | 0.96Å | |
| C27 | O28 | sing | 1.36Å | 1.37Å | |
| C27 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| O28 | H28 | sing | 0.97Å | 0.96Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | O31 | sing | 1.45Å | 1.45Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.09Å | 1.11Å | |
| O32 | C33 | sing | 1.35Å | 1.40Å | |
| C33 | O34 | doub | 1.22Å | 1.24Å | |
| C33 | C35 | sing | 1.47Å | 1.50Å | |
| C35 | C36 | doub | 1.40Å | 1.39Å | Aromatic |
| C35 | C43 | sing | 1.40Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.38Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | O38 | sing | 1.36Å | 1.37Å | |
| C37 | C39 | doub | 1.39Å | 1.38Å | Aromatic |
| O38 | H38 | sing | 0.97Å | 0.96Å | |
| C39 | O40 | sing | 1.36Å | 1.37Å | |
| C39 | C41 | sing | 1.39Å | 1.38Å | Aromatic |
| O40 | H40 | sing | 0.97Å | 0.96Å | |
| C41 | O42 | sing | 1.36Å | 1.37Å | |
| C41 | C43 | doub | 1.38Å | 1.38Å | Aromatic |
| O42 | H42 | sing | 0.97Å | 0.96Å | |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| O44 | C45 | sing | 1.35Å | 1.40Å | |
| C45 | O46 | doub | 1.22Å | 1.24Å | |
| C45 | C47 | sing | 1.47Å | 1.50Å | |
| C47 | C48 | doub | 1.40Å | 1.39Å | Aromatic |
| C47 | C55 | sing | 1.40Å | 1.39Å | Aromatic |
| C48 | C49 | sing | 1.38Å | 1.38Å | Aromatic |
| C48 | H48 | sing | 1.08Å | 1.08Å | |
| C49 | O50 | sing | 1.36Å | 1.37Å | |
| C49 | C51 | doub | 1.39Å | 1.38Å | Aromatic |
| O50 | H50 | sing | 0.97Å | 0.96Å | |
| C51 | O52 | sing | 1.36Å | 1.37Å | |
| C51 | C53 | sing | 1.39Å | 1.38Å | Aromatic |
| O52 | H52 | sing | 0.97Å | 0.96Å | |
| C53 | O54 | sing | 1.36Å | 1.37Å | |
| C53 | C55 | doub | 1.38Å | 1.38Å | Aromatic |
| O54 | H54 | sing | 0.97Å | 0.96Å | |
| C55 | H55 | sing | 1.08Å | 1.08Å | |
| O56 | C57 | sing | 1.35Å | 1.40Å | |
| C57 | O58 | doub | 1.22Å | 1.24Å | |
| C57 | C59 | sing | 1.47Å | 1.50Å | |
| C59 | C60 | doub | 1.40Å | 1.39Å | Aromatic |
| C59 | C67 | sing | 1.40Å | 1.39Å | Aromatic |
| C60 | C61 | sing | 1.38Å | 1.38Å | Aromatic |
| C60 | H60 | sing | 1.08Å | 1.08Å | |
| C61 | O62 | sing | 1.36Å | 1.37Å | |
| C61 | C63 | doub | 1.39Å | 1.38Å | Aromatic |
| O62 | H62 | sing | 0.97Å | 0.96Å | |
| C63 | O64 | sing | 1.36Å | 1.37Å | |
| C63 | C65 | sing | 1.39Å | 1.38Å | Aromatic |
| O64 | H64 | sing | 0.97Å | 0.96Å | |
| C65 | O66 | sing | 1.36Å | 1.37Å | |
| C65 | C67 | doub | 1.38Å | 1.38Å | Aromatic |
| O66 | H66 | sing | 0.97Å | 0.96Å | |
| C67 | H67 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O6 | 110.5° | 109.8° |
| C2 | C1 | C30 | 115.2° | 109.4° |
| C2 | C1 | HC1 | 105.5° | 109.4° |
| C1 | C2 | C3 | 111.3° | 109.0° |
| C1 | C2 | O32 | 107.6° | 109.7° |
| C1 | C2 | HC2 | 109.2° | 109.5° |
| O6 | C1 | C30 | 109.5° | 109.4° |
| O6 | C1 | HC1 | 107.3° | 109.4° |
| C1 | O6 | C5 | 122.8° | 107.6° |
| C30 | C1 | HC1 | 108.6° | 109.5° |
| C1 | C30 | O31 | 110.2° | 109.4° |
| C1 | C30 | H301 | 110.7° | 109.5° |
| C1 | C30 | H302 | 109.8° | 109.5° |
| C3 | C2 | O32 | 107.3° | 109.5° |
| C3 | C2 | HC2 | 110.3° | 109.6° |
| C2 | C3 | C4 | 119.5° | 108.6° |
| C2 | C3 | O56 | 113.4° | 109.8° |
| C2 | C3 | HC3 | 106.2° | 109.6° |
| O32 | C2 | HC2 | 111.1° | 109.5° |
| C2 | O32 | C33 | 123.1° | 120.0° |
| C4 | C3 | O56 | 105.3° | 109.6° |
| C4 | C3 | HC3 | 103.7° | 109.6° |
| C3 | C4 | C5 | 114.1° | 109.0° |
| C3 | C4 | O44 | 107.5° | 109.6° |
| C3 | C4 | HC4 | 108.2° | 109.6° |
| O56 | C3 | HC3 | 107.9° | 109.6° |
| C3 | O56 | C57 | 121.3° | 120.0° |
| C5 | C4 | O44 | 104.8° | 109.6° |
| C5 | C4 | HC4 | 109.5° | 109.6° |
| C4 | C5 | O6 | 114.0° | 109.8° |
| C4 | C5 | O7 | 106.2° | 109.4° |
| C4 | C5 | HC5 | 106.2° | 109.4° |
| O44 | C4 | HC4 | 112.9° | 109.5° |
| C4 | O44 | C45 | 123.2° | 120.0° |
| O6 | C5 | O7 | 66.5° | 109.4° |
| O6 | C5 | HC5 | 106.3° | 109.5° |
| O7 | C5 | HC5 | 146.8° | 109.4° |
| C5 | O7 | C8 | 60.6° | 120.0° |
| O7 | C8 | O9 | 123.3° | 120.0° |
| O7 | C8 | C10 | 118.7° | 119.9° |
| O9 | C8 | C10 | 118.0° | 120.0° |
| C8 | C10 | C11 | 120.3° | 120.0° |
| C8 | C10 | C18 | 121.3° | 120.1° |
| C11 | C10 | C18 | 118.4° | 119.9° |
| C10 | C11 | C12 | 120.8° | 119.9° |
| C10 | C11 | H11 | 120.4° | 120.0° |
| C10 | C18 | C16 | 120.8° | 120.0° |
| C10 | C18 | H18 | 120.1° | 120.0° |
| C12 | C11 | H11 | 118.8° | 120.1° |
| C11 | C12 | O13 | 119.9° | 120.0° |
| C11 | C12 | C14 | 120.1° | 120.1° |
| O13 | C12 | C14 | 120.0° | 120.0° |
| C12 | O13 | H13 | 109.0° | 106.8° |
| C12 | C14 | O15 | 120.1° | 119.9° |
| C12 | C14 | C16 | 119.9° | 120.1° |
| O15 | C14 | C16 | 120.0° | 120.0° |
| C14 | O15 | H15 | 109.0° | 106.8° |
| C14 | C16 | O17 | 120.0° | 119.9° |
| C14 | C16 | C18 | 120.1° | 120.1° |
| O17 | C16 | C18 | 119.9° | 120.0° |
| C16 | O17 | H17 | 109.0° | 106.8° |
| C16 | C18 | H18 | 119.1° | 120.0° |
| O20 | C19 | C21 | 118.4° | 120.0° |
| O20 | C19 | O31 | 123.7° | 120.0° |
| C21 | C19 | O31 | 118.0° | 120.0° |
| C19 | C21 | C22 | 121.3° | 120.1° |
| C19 | C21 | C29 | 120.2° | 120.1° |
| C19 | O31 | C30 | 119.2° | 120.0° |
| C22 | C21 | C29 | 118.5° | 119.8° |
| C21 | C22 | C23 | 120.7° | 120.0° |
| C21 | C22 | H22 | 120.1° | 120.0° |
| C21 | C29 | C27 | 120.7° | 120.0° |
| C21 | C29 | H29 | 120.3° | 120.0° |
| C23 | C22 | H22 | 119.2° | 120.0° |
| C22 | C23 | O24 | 119.9° | 120.0° |
| C22 | C23 | C25 | 120.1° | 120.0° |
| O24 | C23 | C25 | 120.0° | 120.0° |
| C23 | O24 | H24 | 109.0° | 106.8° |
| C23 | C25 | O26 | 120.0° | 119.9° |
| C23 | C25 | C27 | 119.9° | 120.2° |
| O26 | C25 | C27 | 120.1° | 119.9° |
| C25 | O26 | H26 | 109.0° | 106.8° |
| C25 | C27 | O28 | 119.9° | 120.0° |
| C25 | C27 | C29 | 120.1° | 120.0° |
| O28 | C27 | C29 | 120.0° | 120.0° |
| C27 | O28 | H28 | 109.0° | 106.8° |
| C27 | C29 | H29 | 119.0° | 120.1° |
| O31 | C30 | H301 | 110.3° | 109.4° |
| O31 | C30 | H302 | 108.9° | 109.5° |
| H301 | C30 | H302 | 106.9° | 109.5° |
| O32 | C33 | O34 | 123.5° | 119.9° |
| O32 | C33 | C35 | 117.1° | 120.0° |
| O34 | C33 | C35 | 119.4° | 120.0° |
| C33 | C35 | C36 | 121.0° | 120.1° |
| C33 | C35 | C43 | 120.3° | 120.1° |
| C36 | C35 | C43 | 118.7° | 119.9° |
| C35 | C36 | C37 | 120.7° | 120.0° |
| C35 | C36 | H36 | 119.5° | 120.0° |
| C35 | C43 | C41 | 120.6° | 119.9° |
| C35 | C43 | H43 | 120.2° | 120.0° |
| C37 | C36 | H36 | 119.8° | 120.0° |
| C36 | C37 | O38 | 120.0° | 120.0° |
| C36 | C37 | C39 | 120.0° | 120.0° |
| O38 | C37 | C39 | 120.0° | 119.9° |
| C37 | O38 | H38 | 109.0° | 106.7° |
| C37 | C39 | O40 | 120.0° | 119.9° |
| C37 | C39 | C41 | 119.9° | 120.1° |
| O40 | C39 | C41 | 120.1° | 120.0° |
| C39 | O40 | H40 | 109.0° | 106.8° |
| C39 | C41 | O42 | 119.9° | 120.0° |
| C39 | C41 | C43 | 120.1° | 120.1° |
| O42 | C41 | C43 | 120.0° | 120.0° |
| C41 | O42 | H42 | 109.0° | 106.8° |
| C41 | C43 | H43 | 119.2° | 120.1° |
| O44 | C45 | O46 | 123.5° | 120.0° |
| O44 | C45 | C47 | 117.3° | 120.0° |
| O46 | C45 | C47 | 119.3° | 120.0° |
| C45 | C47 | C48 | 121.2° | 120.1° |
| C45 | C47 | C55 | 120.4° | 120.1° |
| C48 | C47 | C55 | 118.4° | 119.8° |
| C47 | C48 | C49 | 120.8° | 120.0° |
| C47 | C48 | H48 | 120.1° | 120.0° |
| C47 | C55 | C53 | 120.8° | 119.9° |
| C47 | C55 | H55 | 120.6° | 120.0° |
| C49 | C48 | H48 | 119.1° | 120.0° |
| C48 | C49 | O50 | 119.9° | 120.0° |
| C48 | C49 | C51 | 120.1° | 120.1° |
| O50 | C49 | C51 | 120.0° | 119.9° |
| C49 | O50 | H50 | 109.0° | 106.8° |
| C49 | C51 | O52 | 120.1° | 119.9° |
| C49 | C51 | C53 | 119.9° | 120.1° |
| O52 | C51 | C53 | 120.1° | 119.9° |
| C51 | O52 | H52 | 108.9° | 106.8° |
| C51 | C53 | O54 | 120.0° | 120.0° |
| C51 | C53 | C55 | 120.1° | 120.0° |
| O54 | C53 | C55 | 120.0° | 120.0° |
| C53 | O54 | H54 | 109.0° | 106.8° |
| C53 | C55 | H55 | 118.6° | 120.0° |
| O56 | C57 | O58 | 121.9° | 120.0° |
| O56 | C57 | C59 | 119.0° | 120.0° |
| O58 | C57 | C59 | 119.1° | 120.0° |
| C57 | C59 | C60 | 120.8° | 120.1° |
| C57 | C59 | C67 | 120.4° | 120.0° |
| C60 | C59 | C67 | 118.7° | 119.9° |
| C59 | C60 | C61 | 120.7° | 120.0° |
| C59 | C60 | H60 | 119.9° | 120.0° |
| C59 | C67 | C65 | 120.4° | 119.9° |
| C59 | C67 | H67 | 120.3° | 120.0° |
| C61 | C60 | H60 | 119.4° | 120.0° |
| C60 | C61 | O62 | 120.0° | 120.0° |
| C60 | C61 | C63 | 120.0° | 120.0° |
| O62 | C61 | C63 | 120.1° | 120.0° |
| C61 | O62 | H62 | 109.0° | 106.8° |
| C61 | C63 | O64 | 119.7° | 119.9° |
| C61 | C63 | C65 | 119.9° | 120.1° |
| O64 | C63 | C65 | 120.3° | 120.0° |
| C63 | O64 | H64 | 109.0° | 106.8° |
| C63 | C65 | O66 | 119.9° | 119.9° |
| C63 | C65 | C67 | 120.1° | 120.1° |
| O66 | C65 | C67 | 120.0° | 120.0° |
| C65 | O66 | H66 | 109.0° | 106.8° |
| C65 | C67 | H67 | 119.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O6 | C30 | 127.9° | 120.0° |
| C2 | C1 | O6 | HC1 | 114.5° | 120.0° |
| C2 | C1 | C30 | HC1 | 118.0° | 119.8° |
| C1 | C2 | C3 | O32 | 117.5° | 120.0° |
| C1 | C2 | C3 | HC2 | 121.4° | 119.8° |
| C1 | C2 | O32 | HC2 | 119.6° | 120.2° |
| C1 | C2 | C3 | C4 | 10.9° | 53.8° |
| C1 | C2 | C3 | O56 | 114.2° | 66.1° |
| C1 | C2 | C3 | HC3 | 127.5° | 173.5° |
| C2 | C1 | O6 | C5 | 51.1° | 67.6° |
| C2 | C1 | C30 | O31 | 170.5° | 179.8° |
| C2 | C1 | C30 | H301 | 67.2° | 59.9° |
| C2 | C1 | C30 | H302 | 50.6° | 60.2° |
| C1 | C2 | O32 | C33 | 145.1° | 90.4° |
| O6 | C1 | C30 | HC1 | 116.8° | 119.9° |
| O6 | C1 | C2 | C3 | 48.3° | 61.3° |
| O6 | C1 | C2 | O32 | 68.9° | 58.6° |
| O6 | C1 | C2 | HC2 | 170.3° | 178.8° |
| C1 | O6 | C5 | C4 | 9.5° | 67.6° |
| C1 | O6 | C5 | O7 | 88.5° | 52.5° |
| C1 | O6 | C5 | HC5 | 126.1° | 172.3° |
| O6 | C1 | C30 | O31 | 45.3° | 59.9° |
| O6 | C1 | C30 | H301 | 167.6° | 179.8° |
| O6 | C1 | C30 | H302 | 74.6° | 60.1° |
| C30 | C1 | C2 | C3 | 173.0° | 178.6° |
| C30 | C1 | C2 | O32 | 55.7° | 61.5° |
| C30 | C1 | C2 | HC2 | 65.0° | 58.7° |
| C30 | C1 | O6 | C5 | 178.9° | 172.4° |
| C1 | C30 | O31 | C19 | 177.9° | 180.0° |
| C1 | C30 | O31 | H301 | 122.5° | 120.0° |
| C1 | C30 | O31 | H302 | 120.5° | 120.0° |
| C1 | C30 | H301 | H302 | 119.5° | 120.1° |
| HC1 | C1 | C2 | C3 | 67.3° | 58.7° |
| HC1 | C1 | C2 | O32 | 175.4° | 178.6° |
| HC1 | C1 | C2 | HC2 | 54.7° | 61.1° |
| HC1 | C1 | O6 | C5 | 63.4° | 52.4° |
| HC1 | C1 | C30 | O31 | 71.5° | 60.0° |
| HC1 | C1 | C30 | H301 | 50.8° | 60.0° |
| HC1 | C1 | C30 | H302 | 168.6° | 180.0° |
| C3 | C2 | O32 | HC2 | 120.6° | 120.2° |
| C2 | C3 | C4 | O56 | 128.9° | 120.0° |
| C2 | C3 | C4 | HC3 | 117.9° | 119.7° |
| C2 | C3 | O56 | HC3 | 117.3° | 120.4° |
| C2 | C3 | C4 | C5 | 28.9° | 53.8° |
| C2 | C3 | C4 | O44 | 86.7° | 173.7° |
| C2 | C3 | C4 | HC4 | 151.1° | 66.1° |
| C3 | C2 | O32 | C33 | 95.1° | 150.0° |
| C2 | C3 | O56 | C57 | 75.3° | 150.5° |
| O32 | C2 | C3 | C4 | 106.6° | 66.2° |
| O32 | C2 | C3 | O56 | 128.3° | 173.9° |
| O32 | C2 | C3 | HC3 | 10.0° | 53.5° |
| C2 | O32 | C33 | O34 | 8.7° | 0.0° |
| C2 | O32 | C33 | C35 | 170.4° | 180.0° |
| HC2 | C2 | C3 | C4 | 132.3° | 173.6° |
| HC2 | C2 | C3 | O56 | 7.2° | 53.7° |
| HC2 | C2 | C3 | HC3 | 111.2° | 66.7° |
| HC2 | C2 | O32 | C33 | 25.5° | 29.8° |
| C4 | C3 | O56 | HC3 | 110.3° | 120.3° |
| C3 | C4 | C5 | O44 | 117.2° | 120.0° |
| C3 | C4 | C5 | HC4 | 121.4° | 119.9° |
| C3 | C4 | O44 | HC4 | 119.3° | 120.2° |
| C3 | C4 | C5 | O6 | 30.4° | 61.2° |
| C3 | C4 | C5 | O7 | 101.4° | 58.8° |
| C3 | C4 | C5 | HC5 | 86.2° | 178.7° |
| C3 | C4 | O44 | C45 | 103.7° | 150.4° |
| C4 | C3 | O56 | C57 | 152.3° | 90.2° |
| O56 | C3 | C4 | C5 | 157.8° | 66.2° |
| O56 | C3 | C4 | O44 | 42.2° | 53.7° |
| O56 | C3 | C4 | HC4 | 80.0° | 173.9° |
| C3 | O56 | C57 | O58 | 45.9° | 4.8° |
| C3 | O56 | C57 | C59 | 133.4° | 175.0° |
| HC3 | C3 | C4 | C5 | 88.9° | 173.5° |
| HC3 | C3 | C4 | O44 | 155.4° | 66.6° |
| HC3 | C3 | C4 | HC4 | 33.2° | 53.6° |
| HC3 | C3 | O56 | C57 | 42.0° | 30.1° |
| C5 | C4 | O44 | HC4 | 119.1° | 120.2° |
| C4 | C5 | O6 | O7 | 98.0° | 120.0° |
| C4 | C5 | O6 | HC5 | 116.6° | 120.1° |
| C4 | C5 | O7 | HC5 | 166.5° | 119.8° |
| C4 | C5 | O7 | C8 | 104.1° | 97.6° |
| C5 | C4 | O44 | C45 | 134.6° | 90.0° |
| O44 | C4 | C5 | O6 | 86.8° | 178.8° |
| O44 | C4 | C5 | O7 | 15.8° | 61.1° |
| O44 | C4 | C5 | HC5 | 156.5° | 58.7° |
| C4 | O44 | C45 | O46 | 6.9° | 0.0° |
| C4 | O44 | C45 | C47 | 173.2° | 180.0° |
| HC4 | C4 | C5 | O6 | 151.8° | 58.7° |
| HC4 | C4 | C5 | O7 | 137.2° | 178.7° |
| HC4 | C4 | C5 | HC5 | 35.2° | 61.5° |
| HC4 | C4 | O44 | C45 | 15.6° | 30.2° |
| O6 | C5 | O7 | HC5 | 83.8° | 119.9° |
| O6 | C5 | O7 | C8 | 146.3° | 142.1° |
| C5 | O7 | C8 | O9 | 0.1° | 6.8° |
| C5 | O7 | C8 | C10 | 179.8° | 173.3° |
| HC5 | C5 | O7 | C8 | 62.4° | 22.2° |
| O7 | C8 | O9 | C10 | 179.9° | 180.0° |
| O7 | C8 | C10 | C11 | 180.0° | 173.1° |
| O7 | C8 | C10 | C18 | 0.1° | 7.2° |
| O9 | C8 | C10 | C11 | 0.0° | 6.9° |
| O9 | C8 | C10 | C18 | 180.0° | 172.9° |
| C8 | C10 | C11 | C18 | 179.9° | 179.7° |
| C8 | C10 | C11 | C12 | 180.0° | 180.0° |
| C8 | C10 | C11 | H11 | 0.1° | 0.0° |
| C8 | C10 | C18 | C16 | 180.0° | 179.8° |
| C8 | C10 | C18 | H18 | 0.0° | 0.3° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | O13 | 180.0° | 179.9° |
| C10 | C11 | C12 | C14 | 0.0° | 0.1° |
| C11 | C10 | C18 | C16 | 0.1° | 0.5° |
| C11 | C10 | C18 | H18 | 180.0° | 180.0° |
| C18 | C10 | C11 | C12 | 0.0° | 0.3° |
| C18 | C10 | C11 | H11 | 180.0° | 179.7° |
| C10 | C18 | C16 | C14 | 0.0° | 0.5° |
| C10 | C18 | C16 | O17 | 180.0° | 179.7° |
| C10 | C18 | C16 | H18 | 180.0° | 179.5° |
| C11 | C12 | O13 | C14 | 179.9° | 180.0° |
| C11 | C12 | O13 | H13 | 0.0° | 90.0° |
| C11 | C12 | C14 | O15 | 180.0° | 180.0° |
| C11 | C12 | C14 | C16 | 0.1° | 0.1° |
| H11 | C11 | C12 | O13 | 0.0° | 0.0° |
| H11 | C11 | C12 | C14 | 179.9° | 180.0° |
| O13 | C12 | C14 | O15 | 0.0° | 0.0° |
| O13 | C12 | C14 | C16 | 180.0° | 179.9° |
| C14 | C12 | O13 | H13 | 179.9° | 90.0° |
| C12 | C14 | O15 | C16 | 180.0° | 179.9° |
| C12 | C14 | O15 | H15 | 179.9° | 90.1° |
| C12 | C14 | C16 | O17 | 179.9° | 180.0° |
| C12 | C14 | C16 | C18 | 0.0° | 0.2° |
| O15 | C14 | C16 | O17 | 0.0° | 0.1° |
| O15 | C14 | C16 | C18 | 180.0° | 179.7° |
| C16 | C14 | O15 | H15 | 0.0° | 89.8° |
| C14 | C16 | O17 | C18 | 180.0° | 179.8° |
| C14 | C16 | O17 | H17 | 180.0° | 85.2° |
| C14 | C16 | C18 | H18 | 180.0° | 180.0° |
| O17 | C16 | C18 | H18 | 0.0° | 0.3° |
| C18 | C16 | O17 | H17 | 0.0° | 94.6° |
| O20 | C19 | C21 | O31 | 180.0° | 180.0° |
| O20 | C19 | C21 | C22 | 1.9° | 0.0° |
| O20 | C19 | C21 | C29 | 178.7° | 180.0° |
| O20 | C19 | O31 | C30 | 16.3° | 0.0° |
| C19 | C21 | C22 | C29 | 179.5° | 180.0° |
| C19 | C21 | C22 | C23 | 180.0° | 180.0° |
| C19 | C21 | C22 | H22 | 0.9° | 0.0° |
| C19 | C21 | C29 | C27 | 180.0° | 180.0° |
| C19 | C21 | C29 | H29 | 0.5° | 0.0° |
| C21 | C19 | O31 | C30 | 163.8° | 180.0° |
| O31 | C19 | C21 | C22 | 178.2° | 180.0° |
| O31 | C19 | C21 | C29 | 1.3° | 0.0° |
| C19 | O31 | C30 | H301 | 59.6° | 60.0° |
| C19 | O31 | C30 | H302 | 57.5° | 60.0° |
| C21 | C22 | C23 | H22 | 179.1° | 180.0° |
| C21 | C22 | C23 | O24 | 179.9° | 180.0° |
| C21 | C22 | C23 | C25 | 0.2° | 0.2° |
| C22 | C21 | C29 | C27 | 0.5° | 0.0° |
| C22 | C21 | C29 | H29 | 179.0° | 180.0° |
| C29 | C21 | C22 | C23 | 0.5° | 0.0° |
| C29 | C21 | C22 | H22 | 178.6° | 180.0° |
| C21 | C29 | C27 | C25 | 0.2° | 0.2° |
| C21 | C29 | C27 | O28 | 180.0° | 180.0° |
| C21 | C29 | C27 | H29 | 179.5° | 180.0° |
| C22 | C23 | O24 | C25 | 179.7° | 179.8° |
| C22 | C23 | O24 | H24 | 179.9° | 89.9° |
| C22 | C23 | C25 | O26 | 179.9° | 180.0° |
| C22 | C23 | C25 | C27 | 0.2° | 0.5° |
| H22 | C22 | C23 | O24 | 0.7° | 0.0° |
| H22 | C22 | C23 | C25 | 178.9° | 179.8° |
| O24 | C23 | C25 | O26 | 0.2° | 0.2° |
| O24 | C23 | C25 | C27 | 179.5° | 179.8° |
| C25 | C23 | O24 | H24 | 0.2° | 90.3° |
| C23 | C25 | O26 | C27 | 179.7° | 179.6° |
| C23 | C25 | O26 | H26 | 0.2° | 90.5° |
| C23 | C25 | C27 | O28 | 179.7° | 179.8° |
| C23 | C25 | C27 | C29 | 0.2° | 0.5° |
| O26 | C25 | C27 | O28 | 0.0° | 0.2° |
| O26 | C25 | C27 | C29 | 179.9° | 180.0° |
| C27 | C25 | O26 | H26 | 179.9° | 90.0° |
| C25 | C27 | O28 | C29 | 179.9° | 179.8° |
| C25 | C27 | O28 | H28 | 179.9° | 89.8° |
| C25 | C27 | C29 | H29 | 179.4° | 179.8° |
| O28 | C27 | C29 | H29 | 0.5° | 0.0° |
| C29 | C27 | O28 | H28 | 0.1° | 90.0° |
| O31 | C30 | H301 | H302 | 118.3° | 120.0° |
| O32 | C33 | O34 | C35 | 179.1° | 180.0° |
| O32 | C33 | C35 | C36 | 179.2° | 180.0° |
| O32 | C33 | C35 | C43 | 0.3° | 0.3° |
| O34 | C33 | C35 | C36 | 0.1° | 0.0° |
| O34 | C33 | C35 | C43 | 179.5° | 179.7° |
| C33 | C35 | C36 | C43 | 179.6° | 179.7° |
| C33 | C35 | C36 | C37 | 180.0° | 180.0° |
| C33 | C35 | C36 | H36 | 0.7° | 0.0° |
| C33 | C35 | C43 | C41 | 180.0° | 179.7° |
| C33 | C35 | C43 | H43 | 0.8° | 0.3° |
| C35 | C36 | C37 | H36 | 179.3° | 180.0° |
| C35 | C36 | C37 | O38 | 179.9° | 180.0° |
| C35 | C36 | C37 | C39 | 0.2° | 0.0° |
| C36 | C35 | C43 | C41 | 0.4° | 0.5° |
| C36 | C35 | C43 | H43 | 178.8° | 180.0° |
| C43 | C35 | C36 | C37 | 0.4° | 0.2° |
| C43 | C35 | C36 | H36 | 178.8° | 179.7° |
| C35 | C43 | C41 | C39 | 0.1° | 0.5° |
| C35 | C43 | C41 | O42 | 179.9° | 179.7° |
| C35 | C43 | C41 | H43 | 179.2° | 179.5° |
| C36 | C37 | O38 | C39 | 179.8° | 180.0° |
| C36 | C37 | O38 | H38 | 179.9° | 90.0° |
| C36 | C37 | C39 | O40 | 179.9° | 180.0° |
| C36 | C37 | C39 | C41 | 0.2° | 0.0° |
| H36 | C36 | C37 | O38 | 0.7° | 0.0° |
| H36 | C36 | C37 | C39 | 179.1° | 180.0° |
| O38 | C37 | C39 | O40 | 0.1° | 0.0° |
| O38 | C37 | C39 | C41 | 179.6° | 180.0° |
| C39 | C37 | O38 | H38 | 0.1° | 90.0° |
| C37 | C39 | O40 | C41 | 179.7° | 180.0° |
| C37 | C39 | O40 | H40 | 0.1° | 90.0° |
| C37 | C39 | C41 | O42 | 179.6° | 180.0° |
| C37 | C39 | C41 | C43 | 0.2° | 0.3° |
| O40 | C39 | C41 | O42 | 0.1° | 0.0° |
| O40 | C39 | C41 | C43 | 179.9° | 179.7° |
| C41 | C39 | O40 | H40 | 179.9° | 90.0° |
| C39 | C41 | O42 | C43 | 179.8° | 179.7° |
| C39 | C41 | O42 | H42 | 0.1° | 90.0° |
| C39 | C41 | C43 | H43 | 179.1° | 180.0° |
| O42 | C41 | C43 | H43 | 0.7° | 0.3° |
| C43 | C41 | O42 | H42 | 179.9° | 89.7° |
| O44 | C45 | O46 | C47 | 179.9° | 180.0° |
| O44 | C45 | C47 | C48 | 179.2° | 180.0° |
| O44 | C45 | C47 | C55 | 0.9° | 0.2° |
| O46 | C45 | C47 | C48 | 0.8° | 0.0° |
| O46 | C45 | C47 | C55 | 179.1° | 179.8° |
| C45 | C47 | C48 | C55 | 179.9° | 179.8° |
| C45 | C47 | C48 | C49 | 179.3° | 179.9° |
| C45 | C47 | C48 | H48 | 1.0° | 0.0° |
| C45 | C47 | C55 | C53 | 179.5° | 179.7° |
| C45 | C47 | C55 | H55 | 1.0° | 0.2° |
| C47 | C48 | C49 | H48 | 179.7° | 179.9° |
| C47 | C48 | C49 | O50 | 179.9° | 179.9° |
| C47 | C48 | C49 | C51 | 0.4° | 0.0° |
| C48 | C47 | C55 | C53 | 0.6° | 0.5° |
| C48 | C47 | C55 | H55 | 178.9° | 180.0° |
| C55 | C47 | C48 | C49 | 0.8° | 0.3° |
| C55 | C47 | C48 | H48 | 178.9° | 179.8° |
| C47 | C55 | C53 | C51 | 0.1° | 0.5° |
| C47 | C55 | C53 | O54 | 180.0° | 179.8° |
| C47 | C55 | C53 | H55 | 179.5° | 179.5° |
| C48 | C49 | O50 | C51 | 179.7° | 179.9° |
| C48 | C49 | O50 | H50 | 179.8° | 89.9° |
| C48 | C49 | C51 | O52 | 179.8° | 180.0° |
| C48 | C49 | C51 | C53 | 0.1° | 0.0° |
| H48 | C48 | C49 | O50 | 0.4° | 0.1° |
| H48 | C48 | C49 | C51 | 179.3° | 180.0° |
| O50 | C49 | C51 | O52 | 0.1° | 0.1° |
| O50 | C49 | C51 | C53 | 179.6° | 179.9° |
| C51 | C49 | O50 | H50 | 0.1° | 90.0° |
| C49 | C51 | O52 | C53 | 179.7° | 180.0° |
| C49 | C51 | O52 | H52 | 179.8° | 90.0° |
| C49 | C51 | C53 | O54 | 179.6° | 180.0° |
| C49 | C51 | C53 | C55 | 0.3° | 0.3° |
| O52 | C51 | C53 | O54 | 0.1° | 0.0° |
| O52 | C51 | C53 | C55 | 180.0° | 179.7° |
| C53 | C51 | O52 | H52 | 0.1° | 89.9° |
| C51 | C53 | O54 | C55 | 179.9° | 179.7° |
| C51 | C53 | O54 | H54 | 180.0° | 90.0° |
| C51 | C53 | C55 | H55 | 179.4° | 180.0° |
| O54 | C53 | C55 | H55 | 0.5° | 0.3° |
| C55 | C53 | O54 | H54 | 0.1° | 89.7° |
| O56 | C57 | O58 | C59 | 179.4° | 179.9° |
| O56 | C57 | C59 | C60 | 177.5° | 173.9° |
| O56 | C57 | C59 | C67 | 4.5° | 5.8° |
| O58 | C57 | C59 | C60 | 3.1° | 6.2° |
| O58 | C57 | C59 | C67 | 174.9° | 174.1° |
| C57 | C59 | C60 | C67 | 178.0° | 179.6° |
| C57 | C59 | C60 | C61 | 174.9° | 180.0° |
| C57 | C59 | C60 | H60 | 4.5° | 0.1° |
| C57 | C59 | C67 | C65 | 175.0° | 179.8° |
| C57 | C59 | C67 | H67 | 4.5° | 0.3° |
| C59 | C60 | C61 | H60 | 179.4° | 179.9° |
| C59 | C60 | C61 | O62 | 178.3° | 180.0° |
| C59 | C60 | C61 | C63 | 0.8° | 0.1° |
| C60 | C59 | C67 | C65 | 3.0° | 0.5° |
| C60 | C59 | C67 | H67 | 177.5° | 179.9° |
| C67 | C59 | C60 | C61 | 3.0° | 0.3° |
| C67 | C59 | C60 | H60 | 177.5° | 179.8° |
| C59 | C67 | C65 | C63 | 0.7° | 0.5° |
| C59 | C67 | C65 | O66 | 178.5° | 179.8° |
| C59 | C67 | C65 | H67 | 179.5° | 179.6° |
| C60 | C61 | O62 | C63 | 179.1° | 180.0° |
| C60 | C61 | O62 | H62 | 0.5° | 90.0° |
| C60 | C61 | C63 | O64 | 177.5° | 180.0° |
| C60 | C61 | C63 | C65 | 1.5° | 0.0° |
| H60 | C60 | C61 | O62 | 1.2° | 0.1° |
| H60 | C60 | C61 | C63 | 179.8° | 180.0° |
| O62 | C61 | C63 | O64 | 1.6° | 0.0° |
| O62 | C61 | C63 | C65 | 179.4° | 180.0° |
| C63 | C61 | O62 | H62 | 179.6° | 90.0° |
| C61 | C63 | O64 | C65 | 179.0° | 180.0° |
| C61 | C63 | O64 | H64 | 0.5° | 90.0° |
| C61 | C63 | C65 | O66 | 179.2° | 180.0° |
| C61 | C63 | C65 | C67 | 1.6° | 0.2° |
| O64 | C63 | C65 | O66 | 1.8° | 0.0° |
| O64 | C63 | C65 | C67 | 177.5° | 179.8° |
| C65 | C63 | O64 | H64 | 179.5° | 90.0° |
| C63 | C65 | O66 | C67 | 179.3° | 179.8° |
| C63 | C65 | O66 | H66 | 179.7° | 95.1° |
| C63 | C65 | C67 | H67 | 179.8° | 180.0° |
| O66 | C65 | C67 | H67 | 0.9° | 0.2° |
| C67 | C65 | O66 | H66 | 0.4° | 84.7° |
