GGW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.45Å | 1.42Å | |
| O2 | C3 | sing | 1.35Å | 1.36Å | |
| C3 | O4 | doub | 1.22Å | 1.23Å | |
| C3 | N5 | sing | 1.35Å | 1.37Å | |
| N5 | C6 | sing | 1.47Å | 1.45Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C6 | C48 | sing | 1.53Å | 1.53Å | |
| C7 | O8 | doub | 1.21Å | 1.22Å | |
| C7 | N9 | sing | 1.35Å | 1.37Å | |
| N9 | C10 | sing | 1.46Å | 1.44Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C10 | C35 | sing | 1.53Å | 1.51Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C12 | O13 | sing | 1.43Å | 1.42Å | |
| C12 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | N22 | sing | 1.46Å | 1.45Å | |
| C15 | C16 | sing | 1.51Å | 1.50Å | |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| N22 | C23 | sing | 1.35Å | 1.38Å | |
| C23 | O24 | doub | 1.21Å | 1.23Å | |
| C23 | C25 | sing | 1.51Å | 1.51Å | |
| C25 | N26 | sing | 1.46Å | 1.45Å | |
| C25 | C31 | sing | 1.53Å | 1.53Å | |
| N26 | C27 | sing | 1.35Å | 1.38Å | |
| C27 | O28 | doub | 1.22Å | 1.22Å | |
| C27 | O29 | sing | 1.35Å | 1.37Å | |
| O29 | C30 | sing | 1.45Å | 1.43Å | |
| C31 | C32 | sing | 1.53Å | 1.51Å | |
| C31 | C33 | sing | 1.53Å | 1.51Å | |
| C31 | C34 | sing | 1.53Å | 1.51Å | |
| C35 | C36 | sing | 1.51Å | 1.49Å | |
| C36 | C37 | doub | 1.38Å | 1.37Å | Aromatic |
| C36 | C41 | sing | 1.38Å | 1.38Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.38Å | Aromatic |
| C38 | C39 | doub | 1.39Å | 1.38Å | Aromatic |
| C39 | C40 | sing | 1.39Å | 1.38Å | Aromatic |
| C39 | C42 | sing | 1.48Å | 1.46Å | Aromatic |
| C40 | C41 | doub | 1.38Å | 1.38Å | Aromatic |
| C42 | C43 | doub | 1.39Å | 1.38Å | Aromatic |
| C42 | N47 | sing | 1.33Å | 1.35Å | Aromatic |
| C43 | C44 | sing | 1.38Å | 1.38Å | Aromatic |
| C44 | C45 | doub | 1.39Å | 1.38Å | Aromatic |
| C45 | C46 | sing | 1.38Å | 1.38Å | Aromatic |
| C46 | N47 | doub | 1.32Å | 1.34Å | Aromatic |
| C48 | C49 | sing | 1.53Å | 1.52Å | |
| C48 | C50 | sing | 1.53Å | 1.51Å | |
| C48 | C51 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| N9 | HN9 | sing | 0.97Å | 1.00Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| O13 | HO13 | sing | 0.97Å | 0.95Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| N22 | HN22 | sing | 0.97Å | 1.00Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| N26 | HN26 | sing | 0.97Å | 1.00Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C34 | H34B | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C45 | H45 | sing | 1.08Å | 1.08Å | |
| C46 | H46 | sing | 1.08Å | 1.08Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C49 | H49A | sing | 1.09Å | 1.10Å | |
| C49 | H49B | sing | 1.09Å | 1.10Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| C50 | H50A | sing | 1.09Å | 1.10Å | |
| C50 | H50B | sing | 1.09Å | 1.10Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C51 | H51A | sing | 1.09Å | 1.10Å | |
| C51 | H51B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O2 | C3 | 112.1° | 117.0° |
| O2 | C1 | H1 | 109.5° | 109.5° |
| O2 | C1 | H1A | 109.4° | 109.5° |
| O2 | C1 | H1B | 109.5° | 109.5° |
| O2 | C3 | O4 | 125.1° | 120.0° |
| O2 | C3 | N5 | 110.7° | 120.0° |
| O4 | C3 | N5 | 124.1° | 120.0° |
| C3 | N5 | C6 | 117.2° | 120.0° |
| C3 | N5 | HN5 | 121.4° | 120.1° |
| N5 | C6 | C7 | 102.7° | 109.4° |
| N5 | C6 | C48 | 111.5° | 109.5° |
| C6 | N5 | HN5 | 121.4° | 120.0° |
| N5 | C6 | H6 | 114.3° | 109.5° |
| C7 | C6 | C48 | 114.1° | 109.5° |
| C6 | C7 | O8 | 123.8° | 120.0° |
| C6 | C7 | N9 | 112.0° | 119.9° |
| C7 | C6 | H6 | 111.7° | 109.5° |
| C6 | C48 | C49 | 112.4° | 109.5° |
| C6 | C48 | C50 | 111.3° | 109.5° |
| C6 | C48 | C51 | 108.6° | 109.5° |
| C48 | C6 | H6 | 103.0° | 109.5° |
| O8 | C7 | N9 | 124.1° | 120.0° |
| C7 | N9 | C10 | 119.0° | 120.0° |
| C7 | N9 | HN9 | 120.5° | 120.0° |
| N9 | C10 | C11 | 112.5° | 109.4° |
| N9 | C10 | C35 | 111.5° | 109.5° |
| C10 | N9 | HN9 | 120.5° | 120.0° |
| N9 | C10 | H10 | 105.0° | 109.4° |
| C11 | C10 | C35 | 106.5° | 109.5° |
| C10 | C11 | C12 | 114.5° | 109.5° |
| C11 | C10 | H10 | 110.2° | 109.4° |
| C10 | C11 | H11 | 107.8° | 109.5° |
| C10 | C11 | H11A | 106.7° | 109.5° |
| C10 | C35 | C36 | 111.9° | 109.5° |
| C35 | C10 | H10 | 111.2° | 109.5° |
| C10 | C35 | H35 | 108.7° | 109.5° |
| C10 | C35 | H35A | 108.1° | 109.5° |
| C11 | C12 | O13 | 104.3° | 109.5° |
| C11 | C12 | C14 | 112.3° | 109.5° |
| C12 | C11 | H11 | 107.8° | 109.4° |
| C12 | C11 | H11A | 106.7° | 109.5° |
| C11 | C12 | H12 | 111.5° | 109.5° |
| O13 | C12 | C14 | 110.6° | 109.4° |
| O13 | C12 | H12 | 113.1° | 109.5° |
| C12 | O13 | HO13 | 109.5° | 114.0° |
| C12 | C14 | C15 | 110.6° | 109.5° |
| C12 | C14 | N22 | 112.3° | 109.5° |
| C14 | C12 | H12 | 105.3° | 109.5° |
| C12 | C14 | H14 | 107.6° | 109.4° |
| C15 | C14 | N22 | 111.9° | 109.5° |
| C14 | C15 | C16 | 111.1° | 109.5° |
| C15 | C14 | H14 | 108.0° | 109.4° |
| C14 | C15 | H15 | 108.9° | 109.4° |
| C14 | C15 | H15A | 108.6° | 109.4° |
| C14 | N22 | C23 | 121.7° | 120.0° |
| N22 | C14 | H14 | 106.2° | 109.5° |
| C14 | N22 | HN22 | 119.1° | 120.0° |
| C15 | C16 | C17 | 120.7° | 120.0° |
| C15 | C16 | C21 | 120.4° | 120.0° |
| C16 | C15 | H15 | 108.9° | 109.5° |
| C16 | C15 | H15A | 108.6° | 109.5° |
| C17 | C16 | C21 | 118.9° | 120.0° |
| C16 | C17 | C18 | 120.3° | 120.0° |
| C16 | C17 | H17 | 119.9° | 120.0° |
| C16 | C21 | C20 | 121.0° | 120.0° |
| C16 | C21 | H21 | 119.5° | 120.0° |
| C17 | C18 | C19 | 120.6° | 120.0° |
| C18 | C17 | H17 | 119.8° | 120.0° |
| C17 | C18 | H18 | 119.7° | 119.9° |
| C18 | C19 | C20 | 119.4° | 120.0° |
| C19 | C18 | H18 | 119.7° | 120.0° |
| C18 | C19 | H19 | 120.3° | 120.0° |
| C19 | C20 | C21 | 119.8° | 120.0° |
| C20 | C19 | H19 | 120.3° | 120.0° |
| C19 | C20 | H20 | 120.1° | 120.0° |
| C21 | C20 | H20 | 120.1° | 120.0° |
| C20 | C21 | H21 | 119.5° | 120.0° |
| N22 | C23 | O24 | 126.3° | 120.0° |
| N22 | C23 | C25 | 110.6° | 120.0° |
| C23 | N22 | HN22 | 119.2° | 120.0° |
| O24 | C23 | C25 | 123.1° | 120.0° |
| C23 | C25 | N26 | 105.0° | 109.5° |
| C23 | C25 | C31 | 111.5° | 109.5° |
| C23 | C25 | H25 | 112.7° | 109.4° |
| N26 | C25 | C31 | 114.0° | 109.5° |
| C25 | N26 | C27 | 120.7° | 120.0° |
| N26 | C25 | H25 | 110.2° | 109.5° |
| C25 | N26 | HN26 | 119.6° | 120.0° |
| C25 | C31 | C32 | 110.5° | 109.5° |
| C25 | C31 | C33 | 108.8° | 109.5° |
| C25 | C31 | C34 | 113.0° | 109.5° |
| C31 | C25 | H25 | 103.5° | 109.5° |
| N26 | C27 | O28 | 125.6° | 120.0° |
| N26 | C27 | O29 | 110.6° | 120.0° |
| C27 | N26 | HN26 | 119.7° | 120.0° |
| O28 | C27 | O29 | 123.9° | 120.0° |
| C27 | O29 | C30 | 111.9° | 117.0° |
| O29 | C30 | H30 | 109.5° | 109.5° |
| O29 | C30 | H30A | 109.4° | 109.5° |
| O29 | C30 | H30B | 109.4° | 109.4° |
| C32 | C31 | C33 | 107.4° | 109.4° |
| C32 | C31 | C34 | 107.9° | 109.4° |
| C31 | C32 | H32 | 109.5° | 109.5° |
| C31 | C32 | H32A | 109.5° | 109.5° |
| C31 | C32 | H32B | 109.4° | 109.5° |
| C33 | C31 | C34 | 109.1° | 109.5° |
| C31 | C33 | H33 | 109.5° | 109.5° |
| C31 | C33 | H33A | 109.4° | 109.5° |
| C31 | C33 | H33B | 109.5° | 109.5° |
| C31 | C34 | H34 | 109.5° | 109.5° |
| C31 | C34 | H34A | 109.5° | 109.5° |
| C31 | C34 | H34B | 109.4° | 109.5° |
| C35 | C36 | C37 | 118.9° | 119.9° |
| C35 | C36 | C41 | 121.9° | 119.8° |
| C36 | C35 | H35 | 108.6° | 109.4° |
| C36 | C35 | H35A | 108.1° | 109.5° |
| C37 | C36 | C41 | 119.2° | 120.3° |
| C36 | C37 | C38 | 120.1° | 120.1° |
| C36 | C37 | H37 | 119.9° | 120.0° |
| C36 | C41 | C40 | 120.0° | 120.2° |
| C36 | C41 | H41 | 120.0° | 119.9° |
| C37 | C38 | C39 | 121.8° | 119.9° |
| C38 | C37 | H37 | 119.9° | 119.9° |
| C37 | C38 | H38 | 119.1° | 120.1° |
| C38 | C39 | C40 | 117.5° | 119.7° |
| C38 | C39 | C42 | 120.5° | 120.1° |
| C39 | C38 | H38 | 119.1° | 120.0° |
| C40 | C39 | C42 | 122.0° | 120.1° |
| C39 | C40 | C41 | 121.4° | 119.8° |
| C39 | C40 | H40 | 119.3° | 120.1° |
| C39 | C42 | C43 | 121.1° | 119.7° |
| C39 | C42 | N47 | 116.4° | 119.8° |
| C41 | C40 | H40 | 119.3° | 120.1° |
| C40 | C41 | H41 | 120.0° | 119.9° |
| C43 | C42 | N47 | 122.5° | 120.5° |
| C42 | C43 | C44 | 119.8° | 119.1° |
| C42 | C43 | H43 | 120.1° | 120.5° |
| C42 | N47 | C46 | 116.2° | 121.6° |
| C43 | C44 | C45 | 118.6° | 118.4° |
| C44 | C43 | H43 | 120.1° | 120.4° |
| C43 | C44 | H44 | 120.7° | 120.7° |
| C44 | C45 | C46 | 117.9° | 119.4° |
| C45 | C44 | H44 | 120.7° | 120.8° |
| C44 | C45 | H45 | 121.0° | 120.3° |
| C45 | C46 | N47 | 125.0° | 120.9° |
| C46 | C45 | H45 | 121.1° | 120.4° |
| C45 | C46 | H46 | 117.5° | 119.5° |
| N47 | C46 | H46 | 117.5° | 119.6° |
| C49 | C48 | C50 | 109.5° | 109.5° |
| C49 | C48 | C51 | 108.6° | 109.5° |
| C48 | C49 | H49 | 109.5° | 109.5° |
| C48 | C49 | H49A | 109.5° | 109.5° |
| C48 | C49 | H49B | 109.5° | 109.5° |
| C50 | C48 | C51 | 106.2° | 109.5° |
| C48 | C50 | H50 | 109.5° | 109.5° |
| C48 | C50 | H50A | 109.5° | 109.4° |
| C48 | C50 | H50B | 109.4° | 109.5° |
| C48 | C51 | H51 | 109.5° | 109.5° |
| C48 | C51 | H51A | 109.4° | 109.5° |
| C48 | C51 | H51B | 109.4° | 109.4° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.4° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H11 | C11 | H11A | 113.5° | 109.5° |
| H15 | C15 | H15A | 110.8° | 109.5° |
| H30 | C30 | H30A | 109.5° | 109.5° |
| H30 | C30 | H30B | 109.5° | 109.5° |
| H30A | C30 | H30B | 109.5° | 109.5° |
| H32 | C32 | H32A | 109.4° | 109.4° |
| H32 | C32 | H32B | 109.5° | 109.5° |
| H32A | C32 | H32B | 109.5° | 109.5° |
| H33 | C33 | H33A | 109.5° | 109.4° |
| H33 | C33 | H33B | 109.5° | 109.5° |
| H33A | C33 | H33B | 109.5° | 109.5° |
| H34 | C34 | H34A | 109.5° | 109.5° |
| H34 | C34 | H34B | 109.5° | 109.4° |
| H34A | C34 | H34B | 109.5° | 109.4° |
| H35 | C35 | H35A | 111.4° | 109.5° |
| H49 | C49 | H49A | 109.5° | 109.5° |
| H49 | C49 | H49B | 109.4° | 109.4° |
| H49A | C49 | H49B | 109.5° | 109.5° |
| H50 | C50 | H50A | 109.4° | 109.5° |
| H50 | C50 | H50B | 109.5° | 109.5° |
| H50A | C50 | H50B | 109.5° | 109.5° |
| H51 | C51 | H51A | 109.5° | 109.5° |
| H51 | C51 | H51B | 109.4° | 109.5° |
| H51A | C51 | H51B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O2 | C3 | O4 | 3.8° | 0.0° |
| C1 | O2 | C3 | N5 | 176.2° | 180.0° |
| O2 | C1 | H1 | H1A | 120.0° | 120.0° |
| O2 | C1 | H1 | H1B | 120.0° | 120.0° |
| O2 | C1 | H1A | H1B | 120.0° | 120.0° |
| O2 | C3 | O4 | N5 | 179.9° | 180.0° |
| O2 | C3 | N5 | C6 | 174.1° | 180.0° |
| C3 | O2 | C1 | H1 | 20.6° | 60.0° |
| C3 | O2 | C1 | H1A | 140.6° | 60.0° |
| C3 | O2 | C1 | H1B | 99.4° | 180.0° |
| O2 | C3 | N5 | HN5 | 5.9° | 0.0° |
| O4 | C3 | N5 | C6 | 5.9° | 0.0° |
| O4 | C3 | N5 | HN5 | 174.1° | 180.0° |
| C3 | N5 | C6 | HN5 | 180.0° | 180.0° |
| C3 | N5 | C6 | C7 | 122.7° | 155.0° |
| C3 | N5 | C6 | C48 | 114.8° | 85.0° |
| C3 | N5 | C6 | H6 | 1.5° | 35.0° |
| N5 | C6 | C7 | C48 | 120.8° | 120.0° |
| N5 | C6 | C7 | H6 | 123.0° | 120.0° |
| N5 | C6 | C48 | H6 | 123.0° | 120.0° |
| N5 | C6 | C7 | O8 | 73.0° | 21.9° |
| N5 | C6 | C7 | N9 | 106.4° | 158.1° |
| N5 | C6 | C48 | C49 | 49.1° | 57.5° |
| N5 | C6 | C48 | C50 | 172.3° | 177.5° |
| N5 | C6 | C48 | C51 | 71.2° | 62.5° |
| C7 | C6 | C48 | H6 | 121.2° | 120.0° |
| C6 | C7 | O8 | N9 | 179.3° | 180.0° |
| C6 | C7 | N9 | C10 | 168.3° | 175.2° |
| C7 | C6 | C48 | C49 | 66.7° | 62.5° |
| C7 | C6 | C48 | C50 | 56.5° | 57.5° |
| C7 | C6 | C48 | C51 | 173.1° | 177.5° |
| C7 | C6 | N5 | HN5 | 57.4° | 25.0° |
| C6 | C7 | N9 | HN9 | 11.7° | 4.9° |
| C48 | C6 | C7 | O8 | 47.8° | 98.1° |
| C48 | C6 | C7 | N9 | 132.8° | 81.9° |
| C6 | C48 | C49 | C50 | 124.2° | 120.0° |
| C6 | C48 | C49 | C51 | 120.3° | 120.0° |
| C6 | C48 | C50 | C51 | 118.0° | 120.0° |
| C48 | C6 | N5 | HN5 | 65.2° | 95.0° |
| C6 | C48 | C49 | H49 | 80.2° | 63.2° |
| C6 | C48 | C49 | H49A | 39.8° | 176.8° |
| C6 | C48 | C49 | H49B | 159.9° | 56.7° |
| C6 | C48 | C50 | H50 | 104.5° | 53.4° |
| C6 | C48 | C50 | H50A | 15.5° | 173.4° |
| C6 | C48 | C50 | H50B | 135.6° | 66.6° |
| C6 | C48 | C51 | H51 | 8.1° | 60.0° |
| C6 | C48 | C51 | H51A | 111.9° | 180.0° |
| C6 | C48 | C51 | H51B | 128.1° | 60.0° |
| O8 | C7 | N9 | C10 | 11.1° | 4.8° |
| O8 | C7 | C6 | H6 | 164.0° | 141.9° |
| O8 | C7 | N9 | HN9 | 168.9° | 175.1° |
| C7 | N9 | C10 | HN9 | 180.0° | 179.9° |
| C7 | N9 | C10 | C11 | 126.0° | 57.1° |
| C7 | N9 | C10 | C35 | 114.4° | 62.9° |
| N9 | C7 | C6 | H6 | 16.6° | 38.1° |
| C7 | N9 | C10 | H10 | 6.1° | 177.1° |
| N9 | C10 | C11 | C35 | 122.5° | 120.1° |
| N9 | C10 | C11 | H10 | 116.8° | 119.9° |
| N9 | C10 | C35 | H10 | 116.8° | 120.0° |
| N9 | C10 | C11 | C12 | 37.7° | 65.0° |
| N9 | C10 | C35 | C36 | 67.5° | 66.1° |
| N9 | C10 | C11 | H11 | 157.8° | 175.1° |
| N9 | C10 | C11 | H11A | 80.0° | 55.0° |
| N9 | C10 | C35 | H35 | 52.5° | 53.8° |
| N9 | C10 | C35 | H35A | 173.5° | 173.8° |
| C11 | C10 | C35 | H10 | 120.0° | 120.0° |
| C10 | C11 | C12 | H11 | 120.0° | 120.0° |
| C10 | C11 | C12 | H11A | 117.8° | 120.0° |
| C10 | C11 | C12 | O13 | 145.8° | 65.0° |
| C10 | C11 | C12 | C14 | 94.4° | 175.0° |
| C11 | C10 | C35 | C36 | 169.3° | 173.9° |
| C11 | C10 | N9 | HN9 | 54.0° | 122.9° |
| C10 | C11 | H11 | H11A | 117.9° | 120.0° |
| C10 | C11 | C12 | H12 | 23.5° | 55.0° |
| C11 | C10 | C35 | H35 | 70.7° | 66.2° |
| C11 | C10 | C35 | H35A | 50.4° | 53.8° |
| C35 | C10 | C11 | C12 | 160.3° | 175.0° |
| C10 | C35 | C36 | H35 | 120.0° | 119.9° |
| C10 | C35 | C36 | H35A | 119.0° | 120.1° |
| C10 | C35 | C36 | C37 | 107.2° | 103.7° |
| C10 | C35 | C36 | C41 | 73.3° | 76.6° |
| C35 | C10 | N9 | HN9 | 65.7° | 117.1° |
| C35 | C10 | C11 | H11 | 79.7° | 55.0° |
| C35 | C10 | C11 | H11A | 42.5° | 65.0° |
| C10 | C35 | H35 | H35A | 119.0° | 120.1° |
| C11 | C12 | O13 | C14 | 120.9° | 120.0° |
| C11 | C12 | O13 | H12 | 121.3° | 120.0° |
| C11 | C12 | C14 | H12 | 121.5° | 120.0° |
| C11 | C12 | C14 | C15 | 177.2° | 180.0° |
| C11 | C12 | C14 | N22 | 57.0° | 60.0° |
| C12 | C11 | C10 | H10 | 79.1° | 55.0° |
| C12 | C11 | H11 | H11A | 117.9° | 120.0° |
| C11 | C12 | O13 | HO13 | 106.1° | 59.9° |
| C11 | C12 | C14 | H14 | 59.4° | 60.0° |
| O13 | C12 | C14 | H12 | 122.5° | 120.0° |
| O13 | C12 | C14 | C15 | 66.7° | 60.0° |
| O13 | C12 | C14 | N22 | 59.0° | 60.0° |
| O13 | C12 | C11 | H11 | 94.2° | 175.0° |
| O13 | C12 | C11 | H11A | 28.1° | 55.0° |
| O13 | C12 | C14 | H14 | 175.5° | 180.0° |
| C12 | C14 | C15 | N22 | 126.0° | 120.0° |
| C12 | C14 | C15 | H14 | 117.5° | 120.0° |
| C12 | C14 | N22 | H14 | 117.4° | 120.0° |
| C12 | C14 | C15 | C16 | 178.3° | 175.0° |
| C12 | C14 | N22 | C23 | 125.8° | 155.0° |
| C14 | C12 | C11 | H11 | 25.6° | 55.0° |
| C14 | C12 | C11 | H11A | 147.9° | 65.0° |
| C14 | C12 | O13 | HO13 | 14.8° | 60.0° |
| C12 | C14 | C15 | H15 | 58.3° | 65.0° |
| C12 | C14 | C15 | H15A | 62.4° | 54.9° |
| C12 | C14 | N22 | HN22 | 54.2° | 25.0° |
| C15 | C14 | N22 | H14 | 117.6° | 120.0° |
| C14 | C15 | C16 | H15 | 120.0° | 120.0° |
| C14 | C15 | C16 | H15A | 119.3° | 120.0° |
| C14 | C15 | C16 | C17 | 81.7° | 90.0° |
| C14 | C15 | C16 | C21 | 98.2° | 90.3° |
| C15 | C14 | N22 | C23 | 109.2° | 84.9° |
| C15 | C14 | C12 | H12 | 55.7° | 60.0° |
| C14 | C15 | H15 | H15A | 119.4° | 119.9° |
| C15 | C14 | N22 | HN22 | 70.8° | 95.0° |
| N22 | C14 | C15 | C16 | 52.3° | 65.0° |
| C14 | N22 | C23 | HN22 | 180.0° | 180.0° |
| C14 | N22 | C23 | O24 | 8.3° | 5.9° |
| C14 | N22 | C23 | C25 | 172.2° | 174.2° |
| N22 | C14 | C12 | H12 | 178.5° | 180.0° |
| N22 | C14 | C15 | H15 | 67.7° | 55.0° |
| N22 | C14 | C15 | H15A | 171.6° | 175.0° |
| C15 | C16 | C17 | C21 | 179.9° | 179.8° |
| C15 | C16 | C17 | C18 | 179.7° | 180.0° |
| C15 | C16 | C21 | C20 | 179.6° | 179.8° |
| C16 | C15 | C14 | H14 | 64.2° | 55.0° |
| C16 | C15 | H15 | H15A | 119.3° | 120.0° |
| C15 | C16 | C17 | H17 | 0.4° | 0.0° |
| C15 | C16 | C21 | H21 | 0.5° | 0.0° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.0° |
| C17 | C16 | C21 | C20 | 0.3° | 0.5° |
| C17 | C16 | C15 | H15 | 158.3° | 30.0° |
| C17 | C16 | C15 | H15A | 37.6° | 150.0° |
| C16 | C17 | C18 | H18 | 179.9° | 180.0° |
| C17 | C16 | C21 | H21 | 179.6° | 179.7° |
| C21 | C16 | C17 | C18 | 0.2° | 0.2° |
| C16 | C21 | C20 | C19 | 0.3° | 0.5° |
| C16 | C21 | C20 | H21 | 180.0° | 179.8° |
| C21 | C16 | C15 | H15 | 21.8° | 149.7° |
| C21 | C16 | C15 | H15A | 142.5° | 29.7° |
| C21 | C16 | C17 | H17 | 179.7° | 179.7° |
| C16 | C21 | C20 | H20 | 179.7° | 179.7° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C17 | C18 | C19 | H19 | 179.9° | 179.9° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.2° | 0.2° |
| C19 | C18 | C17 | H17 | 179.8° | 180.0° |
| C18 | C19 | C20 | H20 | 179.8° | 180.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.8° |
| C20 | C19 | C18 | H18 | 179.9° | 180.0° |
| C19 | C20 | C21 | H21 | 179.6° | 179.7° |
| C21 | C20 | C19 | H19 | 179.8° | 179.8° |
| N22 | C23 | O24 | C25 | 179.4° | 179.9° |
| N22 | C23 | C25 | N26 | 109.6° | 155.5° |
| N22 | C23 | C25 | C31 | 126.4° | 84.5° |
| C23 | N22 | C14 | H14 | 8.5° | 35.0° |
| N22 | C23 | C25 | H25 | 10.4° | 35.5° |
| O24 | C23 | C25 | N26 | 70.8° | 24.5° |
| O24 | C23 | C25 | C31 | 53.1° | 95.5° |
| O24 | C23 | N22 | HN22 | 171.7° | 174.1° |
| O24 | C23 | C25 | H25 | 169.1° | 144.5° |
| C23 | C25 | N26 | C31 | 122.4° | 120.0° |
| C23 | C25 | N26 | H25 | 121.7° | 119.9° |
| C23 | C25 | C31 | H25 | 121.5° | 120.0° |
| C23 | C25 | N26 | C27 | 133.9° | 155.0° |
| C23 | C25 | C31 | C32 | 49.0° | 64.1° |
| C23 | C25 | C31 | C33 | 166.8° | 175.9° |
| C23 | C25 | C31 | C34 | 71.9° | 55.9° |
| C25 | C23 | N22 | HN22 | 7.8° | 5.8° |
| C23 | C25 | N26 | HN26 | 46.0° | 25.0° |
| N26 | C25 | C31 | H25 | 119.8° | 120.0° |
| C25 | N26 | C27 | HN26 | 180.0° | 179.9° |
| C25 | N26 | C27 | O28 | 0.6° | 0.1° |
| C25 | N26 | C27 | O29 | 179.8° | 180.0° |
| N26 | C25 | C31 | C32 | 167.8° | 175.8° |
| N26 | C25 | C31 | C33 | 74.5° | 55.8° |
| N26 | C25 | C31 | C34 | 46.8° | 64.2° |
| C31 | C25 | N26 | C27 | 103.7° | 85.0° |
| C25 | C31 | C32 | C33 | 118.6° | 120.0° |
| C25 | C31 | C32 | C34 | 123.9° | 120.0° |
| C25 | C31 | C33 | C34 | 123.7° | 120.0° |
| C31 | C25 | N26 | HN26 | 76.4° | 95.1° |
| C25 | C31 | C32 | H32 | 64.5° | 61.6° |
| C25 | C31 | C32 | H32A | 175.5° | 178.5° |
| C25 | C31 | C32 | H32B | 55.5° | 58.4° |
| C25 | C31 | C33 | H33 | 109.0° | 60.0° |
| C25 | C31 | C33 | H33A | 131.0° | 180.0° |
| C25 | C31 | C33 | H33B | 11.0° | 60.0° |
| C25 | C31 | C34 | H34 | 97.2° | 60.0° |
| C25 | C31 | C34 | H34A | 142.8° | 179.9° |
| C25 | C31 | C34 | H34B | 22.8° | 60.0° |
| N26 | C27 | O28 | O29 | 179.0° | 180.0° |
| N26 | C27 | O29 | C30 | 171.5° | 180.0° |
| C27 | N26 | C25 | H25 | 12.2° | 35.0° |
| O28 | C27 | O29 | C30 | 9.3° | 0.0° |
| O28 | C27 | N26 | HN26 | 179.4° | 180.0° |
| O29 | C27 | N26 | HN26 | 0.3° | 0.1° |
| C27 | O29 | C30 | H30 | 149.5° | 60.0° |
| C27 | O29 | C30 | H30A | 29.5° | 60.1° |
| C27 | O29 | C30 | H30B | 90.5° | 180.0° |
| O29 | C30 | H30 | H30A | 120.0° | 120.0° |
| O29 | C30 | H30 | H30B | 120.0° | 120.0° |
| O29 | C30 | H30A | H30B | 120.0° | 119.9° |
| C32 | C31 | C33 | C34 | 116.7° | 119.9° |
| C32 | C31 | C25 | H25 | 72.4° | 55.8° |
| C31 | C32 | H32 | H32A | 120.0° | 120.0° |
| C31 | C32 | H32 | H32B | 120.0° | 120.0° |
| C31 | C32 | H32A | H32B | 120.0° | 120.1° |
| C32 | C31 | C33 | H33 | 131.3° | 180.0° |
| C32 | C31 | C33 | H33A | 11.4° | 60.0° |
| C32 | C31 | C33 | H33B | 108.7° | 60.0° |
| C32 | C31 | C34 | H34 | 25.2° | 60.1° |
| C32 | C31 | C34 | H34A | 94.8° | 60.0° |
| C32 | C31 | C34 | H34B | 145.2° | 179.9° |
| C33 | C31 | C25 | H25 | 45.3° | 64.2° |
| C33 | C31 | C32 | H32 | 54.1° | 58.4° |
| C33 | C31 | C32 | H32A | 65.9° | 61.5° |
| C33 | C31 | C32 | H32B | 174.1° | 178.4° |
| C31 | C33 | H33 | H33A | 120.0° | 120.0° |
| C31 | C33 | H33 | H33B | 120.0° | 120.0° |
| C31 | C33 | H33A | H33B | 120.0° | 120.0° |
| C33 | C31 | C34 | H34 | 141.6° | 180.0° |
| C33 | C31 | C34 | H34A | 21.6° | 59.9° |
| C33 | C31 | C34 | H34B | 98.4° | 60.0° |
| C34 | C31 | C25 | H25 | 166.6° | 175.8° |
| C34 | C31 | C32 | H32 | 171.6° | 178.4° |
| C34 | C31 | C32 | H32A | 51.6° | 58.4° |
| C34 | C31 | C32 | H32B | 68.4° | 61.6° |
| C34 | C31 | C33 | H33 | 14.6° | 60.0° |
| C34 | C31 | C33 | H33A | 105.3° | 59.9° |
| C34 | C31 | C33 | H33B | 134.6° | 180.0° |
| C31 | C34 | H34 | H34A | 120.0° | 120.1° |
| C31 | C34 | H34 | H34B | 120.0° | 120.0° |
| C31 | C34 | H34A | H34B | 120.0° | 120.0° |
| C35 | C36 | C37 | C41 | 179.5° | 179.7° |
| C35 | C36 | C37 | C38 | 179.8° | 180.0° |
| C35 | C36 | C41 | C40 | 179.6° | 179.8° |
| C36 | C35 | C10 | H10 | 49.3° | 53.9° |
| C36 | C35 | H35 | H35A | 119.0° | 120.0° |
| C35 | C36 | C37 | H37 | 0.2° | 0.1° |
| C35 | C36 | C41 | H41 | 0.4° | 0.1° |
| C36 | C37 | C38 | H37 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 0.2° | 0.1° |
| C37 | C36 | C41 | C40 | 0.1° | 0.6° |
| C37 | C36 | C35 | H35 | 12.8° | 16.2° |
| C37 | C36 | C35 | H35A | 133.8° | 136.2° |
| C36 | C37 | C38 | H38 | 179.8° | 179.9° |
| C37 | C36 | C41 | H41 | 179.9° | 179.7° |
| C41 | C36 | C37 | C38 | 0.3° | 0.3° |
| C36 | C41 | C40 | C39 | 0.1° | 0.5° |
| C36 | C41 | C40 | H41 | 180.0° | 179.7° |
| C41 | C36 | C35 | H35 | 166.7° | 163.4° |
| C41 | C36 | C35 | H35A | 45.7° | 43.4° |
| C41 | C36 | C37 | H37 | 179.7° | 179.8° |
| C36 | C41 | C40 | H40 | 179.9° | 179.7° |
| C37 | C38 | C39 | H38 | 180.0° | 180.0° |
| C37 | C38 | C39 | C40 | 0.1° | 0.0° |
| C37 | C38 | C39 | C42 | 179.9° | 180.0° |
| C38 | C39 | C40 | C42 | 179.9° | 179.9° |
| C38 | C39 | C40 | C41 | 0.2° | 0.3° |
| C38 | C39 | C42 | C43 | 139.5° | 179.9° |
| C38 | C39 | C42 | N47 | 40.5° | 0.2° |
| C39 | C38 | C37 | H37 | 179.8° | 180.0° |
| C38 | C39 | C40 | H40 | 179.8° | 180.0° |
| C39 | C40 | C41 | H40 | 180.0° | 179.8° |
| C40 | C39 | C42 | C43 | 40.4° | 0.0° |
| C40 | C39 | C42 | N47 | 139.5° | 179.7° |
| C40 | C39 | C38 | H38 | 179.9° | 180.0° |
| C39 | C40 | C41 | H41 | 179.9° | 179.8° |
| C42 | C39 | C40 | C41 | 179.7° | 179.8° |
| C39 | C42 | C43 | N47 | 179.9° | 179.7° |
| C39 | C42 | C43 | C44 | 179.7° | 180.0° |
| C39 | C42 | N47 | C46 | 179.6° | 179.8° |
| C42 | C39 | C38 | H38 | 0.1° | 0.0° |
| C42 | C39 | C40 | H40 | 0.3° | 0.0° |
| C39 | C42 | C43 | H43 | 0.3° | 0.1° |
| C42 | C43 | C44 | H43 | 180.0° | 179.9° |
| C42 | C43 | C44 | C45 | 0.0° | 0.1° |
| C43 | C42 | N47 | C46 | 0.3° | 0.5° |
| C42 | C43 | C44 | H44 | 180.0° | 180.0° |
| N47 | C42 | C43 | C44 | 0.3° | 0.3° |
| C42 | N47 | C46 | C45 | 0.1° | 0.4° |
| N47 | C42 | C43 | H43 | 179.8° | 179.8° |
| C42 | N47 | C46 | H46 | 179.9° | 179.7° |
| C43 | C44 | C45 | H44 | 180.0° | 180.0° |
| C43 | C44 | C45 | C46 | 0.2° | 0.0° |
| C43 | C44 | C45 | H45 | 179.8° | 180.0° |
| C44 | C45 | C46 | H45 | 180.0° | 180.0° |
| C44 | C45 | C46 | N47 | 0.2° | 0.2° |
| C45 | C44 | C43 | H43 | 180.0° | 179.9° |
| C44 | C45 | C46 | H46 | 179.8° | 179.9° |
| C45 | C46 | N47 | H46 | 180.0° | 179.9° |
| C46 | C45 | C44 | H44 | 179.8° | 180.0° |
| N47 | C46 | C45 | H45 | 179.8° | 179.8° |
| C49 | C48 | C50 | C51 | 117.1° | 120.0° |
| C49 | C48 | C6 | H6 | 172.1° | 177.5° |
| C48 | C49 | H49 | H49A | 120.0° | 120.0° |
| C48 | C49 | H49 | H49B | 120.0° | 120.0° |
| C48 | C49 | H49A | H49B | 120.0° | 120.0° |
| C49 | C48 | C50 | H50 | 20.4° | 173.4° |
| C49 | C48 | C50 | H50A | 140.4° | 66.7° |
| C49 | C48 | C50 | H50B | 99.5° | 53.4° |
| C49 | C48 | C51 | H51 | 130.7° | 60.0° |
| C49 | C48 | C51 | H51A | 10.7° | 60.0° |
| C49 | C48 | C51 | H51B | 109.3° | 180.0° |
| C50 | C48 | C6 | H6 | 64.7° | 62.5° |
| C50 | C48 | C49 | H49 | 155.6° | 56.8° |
| C50 | C48 | C49 | H49A | 84.4° | 63.2° |
| C50 | C48 | C49 | H49B | 35.6° | 176.7° |
| C48 | C50 | H50 | H50A | 120.0° | 119.9° |
| C48 | C50 | H50 | H50B | 120.0° | 120.0° |
| C48 | C50 | H50A | H50B | 120.0° | 120.0° |
| C50 | C48 | C51 | H51 | 111.7° | 180.0° |
| C50 | C48 | C51 | H51A | 128.4° | 60.0° |
| C50 | C48 | C51 | H51B | 8.3° | 60.0° |
| C51 | C48 | C6 | H6 | 51.8° | 57.5° |
| C51 | C48 | C49 | H49 | 40.1° | 176.8° |
| C51 | C48 | C49 | H49A | 160.1° | 56.8° |
| C51 | C48 | C49 | H49B | 79.9° | 63.2° |
| C51 | C48 | C50 | H50 | 137.5° | 66.6° |
| C51 | C48 | C50 | H50A | 102.5° | 53.3° |
| C51 | C48 | C50 | H50B | 17.5° | 173.4° |
| C48 | C51 | H51 | H51A | 120.0° | 120.0° |
| C48 | C51 | H51 | H51B | 120.0° | 120.0° |
| C48 | C51 | H51A | H51B | 120.0° | 120.0° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| HN5 | N5 | C6 | H6 | 178.5° | 145.0° |
| HN9 | N9 | C10 | H10 | 173.8° | 3.0° |
| H10 | C10 | C11 | H11 | 41.0° | 65.0° |
| H10 | C10 | C11 | H11A | 163.2° | 175.0° |
| H10 | C10 | C35 | H35 | 169.3° | 173.8° |
| H10 | C10 | C35 | H35A | 69.7° | 66.1° |
| H11 | C11 | C12 | H12 | 143.5° | 65.0° |
| H11A | C11 | C12 | H12 | 94.3° | 175.0° |
| H12 | C12 | O13 | HO13 | 132.6° | 179.9° |
| H12 | C12 | C14 | H14 | 62.0° | 60.0° |
| H14 | C14 | C15 | H15 | 175.8° | 175.0° |
| H14 | C14 | C15 | H15A | 55.1° | 65.0° |
| H14 | C14 | N22 | HN22 | 171.5° | 145.0° |
| H17 | C17 | C18 | H18 | 0.1° | 0.1° |
| H18 | C18 | C19 | H19 | 0.1° | 0.0° |
| H19 | C19 | C20 | H20 | 0.2° | 0.0° |
| H20 | C20 | C21 | H21 | 0.3° | 0.1° |
| H25 | C25 | N26 | HN26 | 167.7° | 144.9° |
| H30 | C30 | H30A | H30B | 120.0° | 120.0° |
| H32 | C32 | H32A | H32B | 120.0° | 120.0° |
| H33 | C33 | H33A | H33B | 120.0° | 120.0° |
| H34 | C34 | H34A | H34B | 120.0° | 119.9° |
| H37 | C37 | C38 | H38 | 0.2° | 0.0° |
| H40 | C40 | C41 | H41 | 0.1° | 0.0° |
| H43 | C43 | C44 | H44 | 0.0° | 0.1° |
| H44 | C44 | C45 | H45 | 0.2° | 0.0° |
| H45 | C45 | C46 | H46 | 0.2° | 0.1° |
| H49 | C49 | H49A | H49B | 120.0° | 120.0° |
| H50 | C50 | H50A | H50B | 120.0° | 120.0° |
| H51 | C51 | H51A | H51B | 120.0° | 120.0° |
