23E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C21 | sing | 1.35Å | 1.36Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C17 | C2 | sing | 1.54Å | 1.55Å | |
| C3 | C2 | sing | 1.51Å | 1.52Å | |
| C16 | C2 | sing | 1.54Å | 1.55Å | |
| O6 | C3 | doub | 1.21Å | 1.23Å | |
| C3 | N4 | sing | 1.35Å | 1.36Å | |
| C5 | N4 | sing | 1.40Å | 1.41Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C7 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | C8 | doub | 1.40Å | 1.41Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | C9 | sing | 1.47Å | 1.51Å | |
| C9 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | doub | 1.35Å | 1.33Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | C13 | sing | 1.42Å | 1.47Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| O15 | C14 | doub | 1.22Å | 1.35Å | |
| C14 | O20 | sing | 1.35Å | 1.23Å | |
| C18 | C16 | sing | 1.54Å | 1.54Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C19 | C17 | sing | 1.55Å | 1.55Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C19 | C18 | sing | 1.55Å | 1.54Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| O20 | HO20 | sing | 0.97Å | 0.95Å | |
| O38 | C21 | doub | 1.22Å | 1.22Å | |
| C21 | C22 | sing | 1.48Å | 1.50Å | |
| C22 | C25 | doub | 1.40Å | 1.41Å | Aromatic |
| C22 | C23 | sing | 1.40Å | 1.41Å | Aromatic |
| C23 | C24 | doub | 1.37Å | 1.40Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | C28 | sing | 1.40Å | 1.39Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | C27 | sing | 1.39Å | 1.41Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C44 | N26 | sing | 1.47Å | 1.46Å | |
| C27 | N26 | sing | 1.37Å | 1.34Å | Aromatic |
| N26 | C30 | sing | 1.38Å | 1.32Å | Aromatic |
| C27 | C28 | doub | 1.42Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.40Å | 1.51Å | Aromatic |
| C30 | C29 | doub | 1.36Å | 1.34Å | Aromatic |
| C29 | C31 | sing | 1.51Å | 1.51Å | |
| C30 | C32 | sing | 1.48Å | 1.50Å | Aromatic |
| C31 | C37 | sing | 1.53Å | 1.57Å | |
| C31 | C33 | sing | 1.53Å | 1.56Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C43 | C32 | doub | 1.40Å | 1.42Å | Aromatic |
| C32 | C39 | sing | 1.40Å | 1.41Å | Aromatic |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C35 | C34 | sing | 1.53Å | 1.55Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C36 | C35 | sing | 1.53Å | 1.55Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C37 | C36 | sing | 1.53Å | 1.55Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C39 | C40 | doub | 1.38Å | 1.40Å | Aromatic |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C41 | C40 | sing | 1.39Å | 1.41Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C42 | C41 | doub | 1.38Å | 1.41Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C43 | C42 | sing | 1.40Å | 1.41Å | Aromatic |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| N45 | C43 | sing | 1.38Å | 1.43Å | |
| C44 | C46 | sing | 1.51Å | 1.51Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| C46 | N45 | sing | 1.33Å | 1.36Å | |
| N45 | HN45 | sing | 0.97Å | 1.00Å | |
| O47 | C46 | doub | 1.21Å | 1.23Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C21 | 122.5° | 120.0° |
| C2 | N1 | HN1 | 118.7° | 120.0° |
| N1 | C2 | C17 | 109.8° | 110.0° |
| N1 | C2 | C3 | 111.8° | 110.0° |
| N1 | C2 | C16 | 108.7° | 110.0° |
| C21 | N1 | HN1 | 118.7° | 120.0° |
| N1 | C21 | O38 | 123.9° | 120.0° |
| N1 | C21 | C22 | 118.4° | 120.0° |
| C17 | C2 | C3 | 109.2° | 110.1° |
| C17 | C2 | C16 | 100.5° | 106.7° |
| C2 | C17 | C19 | 101.8° | 104.2° |
| C2 | C17 | H17 | 112.1° | 110.5° |
| C2 | C17 | H17A | 112.1° | 110.5° |
| C3 | C2 | C16 | 116.2° | 110.0° |
| C2 | C3 | O6 | 119.0° | 120.0° |
| C2 | C3 | N4 | 118.2° | 120.0° |
| C2 | C16 | C18 | 106.3° | 106.6° |
| C2 | C16 | H16 | 110.5° | 110.0° |
| C2 | C16 | H16A | 110.5° | 110.1° |
| O6 | C3 | N4 | 122.7° | 120.0° |
| C3 | N4 | C5 | 123.1° | 120.0° |
| C3 | N4 | HN4 | 118.4° | 120.0° |
| C5 | N4 | HN4 | 118.5° | 120.0° |
| N4 | C5 | C7 | 120.9° | 119.9° |
| N4 | C5 | C11 | 118.5° | 119.8° |
| C7 | C5 | C11 | 120.6° | 120.3° |
| C5 | C7 | C8 | 120.0° | 120.1° |
| C5 | C7 | H7 | 120.0° | 119.9° |
| C5 | C11 | C10 | 119.2° | 120.0° |
| C5 | C11 | H11 | 120.4° | 120.0° |
| C8 | C7 | H7 | 120.0° | 120.0° |
| C7 | C8 | C9 | 119.9° | 119.9° |
| C7 | C8 | H8 | 120.0° | 120.0° |
| C9 | C8 | H8 | 120.0° | 120.1° |
| C8 | C9 | C12 | 117.8° | 120.1° |
| C8 | C9 | C10 | 119.8° | 119.8° |
| C12 | C9 | C10 | 122.4° | 120.1° |
| C9 | C12 | C13 | 121.5° | 120.1° |
| C9 | C12 | H12 | 119.3° | 120.0° |
| C9 | C10 | C11 | 120.5° | 119.9° |
| C9 | C10 | H10 | 119.7° | 120.1° |
| C11 | C10 | H10 | 119.7° | 120.0° |
| C10 | C11 | H11 | 120.4° | 120.0° |
| C13 | C12 | H12 | 119.3° | 120.0° |
| C12 | C13 | C14 | 124.8° | 120.0° |
| C12 | C13 | H13 | 117.6° | 120.0° |
| C14 | C13 | H13 | 117.6° | 120.0° |
| C13 | C14 | O15 | 119.2° | 120.0° |
| C13 | C14 | O20 | 118.1° | 120.0° |
| O15 | C14 | O20 | 122.7° | 120.0° |
| C14 | O20 | HO20 | 109.5° | 114.0° |
| C18 | C16 | H16 | 110.5° | 110.0° |
| C18 | C16 | H16A | 110.5° | 110.1° |
| C16 | C18 | C19 | 105.4° | 104.2° |
| C16 | C18 | H18 | 110.8° | 110.5° |
| C16 | C18 | H18A | 110.8° | 110.5° |
| H16 | C16 | H16A | 108.4° | 110.0° |
| C19 | C17 | H17 | 112.1° | 110.5° |
| C19 | C17 | H17A | 112.1° | 110.6° |
| C17 | C19 | C18 | 104.4° | 102.8° |
| C17 | C19 | H19 | 111.2° | 110.8° |
| C17 | C19 | H19A | 111.2° | 110.8° |
| H17 | C17 | H17A | 106.7° | 110.4° |
| C19 | C18 | H18 | 110.9° | 110.6° |
| C19 | C18 | H18A | 110.8° | 110.6° |
| C18 | C19 | H19 | 111.2° | 110.8° |
| C18 | C19 | H19A | 111.2° | 110.7° |
| H18 | C18 | H18A | 108.1° | 110.4° |
| H19 | C19 | H19A | 107.7° | 110.8° |
| O38 | C21 | C22 | 117.6° | 120.0° |
| C21 | C22 | C25 | 119.5° | 119.1° |
| C21 | C22 | C23 | 120.0° | 119.1° |
| C25 | C22 | C23 | 120.1° | 121.9° |
| C22 | C25 | C27 | 117.3° | 116.9° |
| C22 | C25 | H25 | 121.3° | 121.6° |
| C22 | C23 | C24 | 121.7° | 122.0° |
| C22 | C23 | H23 | 119.2° | 119.0° |
| C24 | C23 | H23 | 119.2° | 119.0° |
| C23 | C24 | C28 | 117.7° | 117.1° |
| C23 | C24 | H24 | 121.1° | 121.4° |
| C28 | C24 | H24 | 121.1° | 121.5° |
| C24 | C28 | C27 | 121.4° | 121.4° |
| C24 | C28 | C29 | 134.0° | 131.7° |
| C27 | C25 | H25 | 121.3° | 121.6° |
| C25 | C27 | N26 | 130.2° | 131.8° |
| C25 | C27 | C28 | 121.7° | 120.8° |
| C44 | N26 | C27 | 124.3° | 126.9° |
| C44 | N26 | C30 | 124.2° | 124.3° |
| N26 | C44 | C46 | 101.8° | 107.9° |
| N26 | C44 | H44 | 112.1° | 109.7° |
| N26 | C44 | H44A | 112.1° | 109.8° |
| C27 | N26 | C30 | 111.6° | 108.7° |
| N26 | C27 | C28 | 108.1° | 107.3° |
| N26 | C30 | C29 | 110.7° | 109.4° |
| N26 | C30 | C32 | 123.1° | 125.1° |
| C27 | C28 | C29 | 104.6° | 106.9° |
| C28 | C29 | C30 | 104.9° | 107.6° |
| C28 | C29 | C31 | 122.8° | 126.2° |
| C30 | C29 | C31 | 132.3° | 126.2° |
| C29 | C30 | C32 | 126.2° | 125.5° |
| C29 | C31 | C37 | 109.1° | 109.5° |
| C29 | C31 | C33 | 116.4° | 109.5° |
| C29 | C31 | H31 | 105.8° | 109.5° |
| C30 | C32 | C43 | 119.3° | 122.1° |
| C30 | C32 | C39 | 119.6° | 118.1° |
| C37 | C31 | C33 | 112.2° | 109.5° |
| C37 | C31 | H31 | 110.7° | 109.5° |
| C31 | C37 | C36 | 111.2° | 109.5° |
| C31 | C37 | H37 | 108.9° | 109.5° |
| C31 | C37 | H37A | 108.9° | 109.5° |
| C33 | C31 | H31 | 102.2° | 109.5° |
| C31 | C33 | C34 | 111.2° | 109.4° |
| C31 | C33 | H33 | 108.9° | 109.5° |
| C31 | C33 | H33A | 108.9° | 109.5° |
| C43 | C32 | C39 | 120.9° | 119.8° |
| C32 | C43 | C42 | 118.5° | 119.0° |
| C32 | C43 | N45 | 122.5° | 123.4° |
| C32 | C39 | C40 | 120.2° | 120.3° |
| C32 | C39 | H39 | 119.9° | 119.8° |
| C34 | C33 | H33 | 108.9° | 109.5° |
| C34 | C33 | H33A | 108.9° | 109.4° |
| C33 | C34 | C35 | 110.0° | 109.5° |
| C33 | C34 | H34 | 109.3° | 109.4° |
| C33 | C34 | H34A | 109.3° | 109.5° |
| H33 | C33 | H33A | 110.0° | 109.5° |
| C35 | C34 | H34 | 109.3° | 109.5° |
| C35 | C34 | H34A | 109.3° | 109.5° |
| C34 | C35 | C36 | 109.2° | 109.4° |
| C34 | C35 | H35 | 109.5° | 109.4° |
| C34 | C35 | H35A | 109.6° | 109.5° |
| H34 | C34 | H34A | 109.7° | 109.5° |
| C36 | C35 | H35 | 109.6° | 109.4° |
| C36 | C35 | H35A | 109.5° | 109.5° |
| C35 | C36 | C37 | 107.8° | 109.5° |
| C35 | C36 | H36 | 110.0° | 109.5° |
| C35 | C36 | H36A | 110.0° | 109.5° |
| H35 | C35 | H35A | 109.4° | 109.5° |
| C37 | C36 | H36 | 110.0° | 109.5° |
| C37 | C36 | H36A | 110.0° | 109.5° |
| C36 | C37 | H37 | 108.9° | 109.5° |
| C36 | C37 | H37A | 108.9° | 109.5° |
| H36 | C36 | H36A | 108.9° | 109.4° |
| H37 | C37 | H37A | 110.1° | 109.5° |
| C40 | C39 | H39 | 119.9° | 119.9° |
| C39 | C40 | C41 | 119.1° | 119.9° |
| C39 | C40 | H40 | 120.4° | 120.1° |
| C41 | C40 | H40 | 120.4° | 120.0° |
| C40 | C41 | C42 | 120.7° | 120.3° |
| C40 | C41 | H41 | 119.7° | 119.8° |
| C42 | C41 | H41 | 119.7° | 119.9° |
| C41 | C42 | C43 | 120.5° | 120.7° |
| C41 | C42 | H42 | 119.8° | 119.7° |
| C43 | C42 | H42 | 119.7° | 119.7° |
| C42 | C43 | N45 | 119.0° | 117.6° |
| C43 | N45 | C46 | 126.1° | 128.3° |
| C43 | N45 | HN45 | 116.9° | 115.8° |
| C46 | C44 | H44 | 112.1° | 109.8° |
| C46 | C44 | H44A | 112.1° | 109.8° |
| C44 | C46 | N45 | 120.7° | 122.4° |
| C44 | C46 | O47 | 118.1° | 118.8° |
| H44 | C44 | H44A | 106.7° | 109.8° |
| C46 | N45 | HN45 | 117.0° | 115.9° |
| N45 | C46 | O47 | 121.2° | 118.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C21 | HN1 | 180.0° | 179.7° |
| N1 | C2 | C17 | C3 | 122.9° | 121.4° |
| N1 | C2 | C17 | C16 | 114.4° | 119.3° |
| N1 | C2 | C3 | C16 | 125.6° | 121.4° |
| N1 | C2 | C3 | O6 | 133.4° | 133.9° |
| N1 | C2 | C3 | N4 | 47.2° | 46.2° |
| N1 | C2 | C16 | C18 | 150.0° | 119.3° |
| N1 | C2 | C16 | H16 | 30.0° | 0.0° |
| N1 | C2 | C16 | H16A | 90.0° | 121.4° |
| N1 | C2 | C17 | C19 | 160.1° | 95.7° |
| N1 | C2 | C17 | H17 | 79.9° | 145.7° |
| N1 | C2 | C17 | H17A | 40.1° | 23.2° |
| C2 | N1 | C21 | O38 | 1.5° | 5.0° |
| C2 | N1 | C21 | C22 | 177.7° | 175.0° |
| C21 | N1 | C2 | C17 | 176.4° | 57.8° |
| C21 | N1 | C2 | C3 | 55.0° | 63.5° |
| C21 | N1 | C2 | C16 | 74.6° | 175.1° |
| N1 | C21 | O38 | C22 | 176.2° | 179.9° |
| N1 | C21 | C22 | C25 | 26.3° | 180.0° |
| N1 | C21 | C22 | C23 | 146.6° | 0.2° |
| HN1 | N1 | C2 | C17 | 3.6° | 122.4° |
| HN1 | N1 | C2 | C3 | 124.9° | 116.2° |
| HN1 | N1 | C2 | C16 | 105.4° | 5.2° |
| HN1 | N1 | C21 | O38 | 178.5° | 175.2° |
| HN1 | N1 | C21 | C22 | 2.4° | 4.7° |
| C17 | C2 | C3 | C16 | 112.7° | 117.2° |
| C17 | C2 | C3 | O6 | 104.9° | 12.5° |
| C17 | C2 | C3 | N4 | 74.5° | 167.5° |
| C17 | C2 | C16 | C18 | 34.8° | 0.0° |
| C17 | C2 | C16 | H16 | 85.2° | 119.3° |
| C17 | C2 | C16 | H16A | 154.8° | 119.3° |
| C2 | C17 | C19 | H17 | 120.0° | 118.7° |
| C2 | C17 | C19 | H17A | 120.0° | 118.8° |
| C2 | C17 | H17 | H17A | 123.1° | 122.6° |
| C2 | C17 | C19 | C18 | 40.4° | 37.9° |
| C2 | C17 | C19 | H19 | 79.6° | 156.2° |
| C2 | C17 | C19 | H19A | 160.4° | 80.3° |
| C2 | C3 | O6 | N4 | 179.4° | 180.0° |
| C2 | C3 | N4 | C5 | 179.9° | 172.1° |
| C2 | C3 | N4 | HN4 | 0.1° | 8.0° |
| C3 | C2 | C16 | C18 | 82.8° | 119.4° |
| C3 | C2 | C16 | H16 | 157.2° | 121.4° |
| C3 | C2 | C16 | H16A | 37.2° | 0.0° |
| C3 | C2 | C17 | C19 | 77.0° | 142.9° |
| C3 | C2 | C17 | H17 | 43.0° | 24.3° |
| C3 | C2 | C17 | H17A | 163.0° | 98.2° |
| C16 | C2 | C3 | O6 | 7.8° | 104.7° |
| C16 | C2 | C3 | N4 | 172.7° | 75.2° |
| C2 | C16 | C18 | H16 | 120.0° | 119.2° |
| C2 | C16 | C18 | H16A | 120.0° | 119.4° |
| C2 | C16 | H16 | H16A | 121.3° | 121.4° |
| C16 | C2 | C17 | C19 | 45.7° | 23.6° |
| C16 | C2 | C17 | H17 | 165.7° | 95.0° |
| C16 | C2 | C17 | H17A | 74.3° | 142.5° |
| C2 | C16 | C18 | C19 | 10.4° | 23.5° |
| C2 | C16 | C18 | H18 | 130.4° | 142.3° |
| C2 | C16 | C18 | H18A | 109.6° | 95.2° |
| O6 | C3 | N4 | C5 | 0.5° | 8.0° |
| O6 | C3 | N4 | HN4 | 179.6° | 172.0° |
| C3 | N4 | C5 | HN4 | 180.0° | 180.0° |
| C3 | N4 | C5 | C7 | 16.2° | 153.9° |
| C3 | N4 | C5 | C11 | 164.8° | 25.8° |
| N4 | C5 | C7 | C11 | 179.0° | 179.7° |
| N4 | C5 | C7 | C8 | 179.9° | 180.0° |
| N4 | C5 | C7 | H7 | 0.1° | 0.0° |
| N4 | C5 | C11 | C10 | 179.6° | 179.7° |
| N4 | C5 | C11 | H11 | 0.4° | 0.3° |
| HN4 | N4 | C5 | C7 | 163.8° | 26.1° |
| HN4 | N4 | C5 | C11 | 15.2° | 154.2° |
| C5 | C7 | C8 | H7 | 180.0° | 180.0° |
| C5 | C7 | C8 | C9 | 0.2° | 0.0° |
| C5 | C7 | C8 | H8 | 179.8° | 180.0° |
| C7 | C5 | C11 | C10 | 0.6° | 0.6° |
| C7 | C5 | C11 | H11 | 179.4° | 180.0° |
| C11 | C5 | C7 | C8 | 0.8° | 0.3° |
| C11 | C5 | C7 | H7 | 179.2° | 179.7° |
| C5 | C11 | C10 | C9 | 0.3° | 0.6° |
| C5 | C11 | C10 | H11 | 180.0° | 179.4° |
| C5 | C11 | C10 | H10 | 179.7° | 179.7° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C12 | 179.9° | 180.0° |
| C7 | C8 | C9 | C10 | 0.7° | 0.0° |
| H7 | C7 | C8 | C9 | 179.8° | 180.0° |
| H7 | C7 | C8 | H8 | 0.1° | 0.0° |
| C8 | C9 | C12 | C10 | 179.1° | 180.0° |
| C8 | C9 | C10 | C11 | 1.0° | 0.3° |
| C8 | C9 | C10 | H10 | 179.0° | 179.9° |
| C8 | C9 | C12 | C13 | 151.4° | 179.9° |
| C8 | C9 | C12 | H12 | 28.6° | 0.0° |
| H8 | C8 | C9 | C12 | 0.1° | 0.1° |
| H8 | C8 | C9 | C10 | 179.2° | 180.0° |
| C12 | C9 | C10 | C11 | 179.9° | 179.8° |
| C12 | C9 | C10 | H10 | 0.1° | 0.0° |
| C9 | C12 | C13 | H12 | 180.0° | 179.9° |
| C9 | C12 | C13 | C14 | 180.0° | 180.0° |
| C9 | C12 | C13 | H13 | 0.0° | 0.1° |
| C9 | C10 | C11 | H10 | 180.0° | 179.8° |
| C9 | C10 | C11 | H11 | 179.7° | 180.0° |
| C10 | C9 | C12 | C13 | 27.7° | 0.0° |
| C10 | C9 | C12 | H12 | 152.3° | 180.0° |
| H10 | C10 | C11 | H11 | 0.3° | 0.2° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | O15 | 20.8° | 0.0° |
| C12 | C13 | C14 | O20 | 159.5° | 179.9° |
| H12 | C12 | C13 | C14 | 0.0° | 0.1° |
| H12 | C12 | C13 | H13 | 180.0° | 180.0° |
| C13 | C14 | O15 | O20 | 179.7° | 180.0° |
| C13 | C14 | O20 | HO20 | 179.7° | 179.9° |
| H13 | C13 | C14 | O15 | 159.2° | 180.0° |
| H13 | C13 | C14 | O20 | 20.5° | 0.0° |
| O15 | C14 | O20 | HO20 | 0.0° | 0.1° |
| C18 | C16 | H16 | H16A | 121.3° | 121.4° |
| C16 | C18 | C19 | C17 | 18.5° | 37.9° |
| C16 | C18 | C19 | H18 | 120.0° | 118.7° |
| C16 | C18 | C19 | H18A | 120.0° | 118.7° |
| C16 | C18 | H18 | H18A | 121.6° | 122.5° |
| C16 | C18 | C19 | H19 | 101.5° | 156.3° |
| C16 | C18 | C19 | H19A | 138.5° | 80.4° |
| H16 | C16 | C18 | C19 | 109.6° | 95.7° |
| H16 | C16 | C18 | H18 | 10.4° | 23.0° |
| H16 | C16 | C18 | H18A | 130.4° | 145.5° |
| H16A | C16 | C18 | C19 | 130.4° | 142.9° |
| H16A | C16 | C18 | H18 | 109.6° | 98.3° |
| H16A | C16 | C18 | H18A | 10.3° | 24.1° |
| C19 | C17 | H17 | H17A | 123.1° | 122.7° |
| C17 | C19 | C18 | H19 | 120.0° | 118.4° |
| C17 | C19 | C18 | H19A | 120.0° | 118.3° |
| C17 | C19 | C18 | H18 | 101.5° | 156.6° |
| C17 | C19 | C18 | H18A | 138.5° | 80.8° |
| C17 | C19 | H19 | H19A | 122.1° | 123.4° |
| H17 | C17 | C19 | C18 | 160.4° | 80.8° |
| H17 | C17 | C19 | H19 | 40.4° | 37.6° |
| H17 | C17 | C19 | H19A | 79.6° | 161.0° |
| H17A | C17 | C19 | C18 | 79.6° | 156.7° |
| H17A | C17 | C19 | H19 | 160.4° | 85.0° |
| H17A | C17 | C19 | H19A | 40.4° | 38.4° |
| C19 | C18 | H18 | H18A | 121.7° | 122.7° |
| C18 | C19 | H19 | H19A | 122.0° | 123.2° |
| H18 | C18 | C19 | H19 | 138.5° | 85.0° |
| H18 | C18 | C19 | H19A | 18.5° | 38.3° |
| H18A | C18 | C19 | H19 | 18.5° | 37.6° |
| H18A | C18 | C19 | H19A | 101.5° | 160.9° |
| O38 | C21 | C22 | C25 | 157.3° | 0.0° |
| O38 | C21 | C22 | C23 | 29.8° | 179.7° |
| C21 | C22 | C25 | C23 | 172.9° | 179.7° |
| C21 | C22 | C23 | C24 | 176.5° | 180.0° |
| C21 | C22 | C23 | H23 | 3.5° | 0.0° |
| C21 | C22 | C25 | C27 | 175.5° | 180.0° |
| C21 | C22 | C25 | H25 | 4.5° | 0.0° |
| C25 | C22 | C23 | C24 | 3.7° | 0.3° |
| C25 | C22 | C23 | H23 | 176.4° | 179.7° |
| C22 | C25 | C27 | H25 | 180.0° | 180.0° |
| C22 | C25 | C27 | N26 | 177.7° | 179.5° |
| C22 | C25 | C27 | C28 | 0.2° | 0.2° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C28 | 1.9° | 0.2° |
| C22 | C23 | C24 | H24 | 178.1° | 179.9° |
| C23 | C22 | C25 | C27 | 2.5° | 0.3° |
| C23 | C22 | C25 | H25 | 177.5° | 179.7° |
| C23 | C24 | C28 | H24 | 180.0° | 179.9° |
| C23 | C24 | C28 | C27 | 0.9° | 0.6° |
| C23 | C24 | C28 | C29 | 178.7° | 179.6° |
| H23 | C23 | C24 | C28 | 178.1° | 179.8° |
| H23 | C23 | C24 | H24 | 1.9° | 0.1° |
| C24 | C28 | C27 | C25 | 1.9° | 0.6° |
| C24 | C28 | C27 | N26 | 179.9° | 179.2° |
| C24 | C28 | C27 | C29 | 178.4° | 179.8° |
| C24 | C28 | C29 | C30 | 179.3° | 179.8° |
| C24 | C28 | C29 | C31 | 0.0° | 0.2° |
| H24 | C24 | C28 | C27 | 179.1° | 179.5° |
| H24 | C24 | C28 | C29 | 1.3° | 0.3° |
| C25 | C27 | N26 | C44 | 0.1° | 2.2° |
| C25 | C27 | N26 | C28 | 177.8° | 179.7° |
| C25 | C27 | N26 | C30 | 179.4° | 178.8° |
| C25 | C27 | C28 | C29 | 179.7° | 179.6° |
| H25 | C25 | C27 | N26 | 2.3° | 0.5° |
| H25 | C25 | C27 | C28 | 179.8° | 179.8° |
| C44 | N26 | C27 | C30 | 179.3° | 179.1° |
| C44 | N26 | C27 | C28 | 177.7° | 177.6° |
| C44 | N26 | C30 | C29 | 178.6° | 177.3° |
| C44 | N26 | C30 | C32 | 3.3° | 3.2° |
| N26 | C44 | C46 | H44 | 120.0° | 119.6° |
| N26 | C44 | C46 | H44A | 120.0° | 119.6° |
| N26 | C44 | H44 | H44A | 123.1° | 120.7° |
| N26 | C44 | C46 | N45 | 67.7° | 62.2° |
| N26 | C44 | C46 | O47 | 111.5° | 117.9° |
| N26 | C27 | C28 | C29 | 1.7° | 0.7° |
| C27 | N26 | C30 | C29 | 0.8° | 1.8° |
| C27 | N26 | C30 | C32 | 177.3° | 177.8° |
| C27 | N26 | C44 | C46 | 108.7° | 121.3° |
| C27 | N26 | C44 | H44 | 11.4° | 1.7° |
| C27 | N26 | C44 | H44A | 131.4° | 119.1° |
| C30 | N26 | C27 | C28 | 1.6° | 1.5° |
| N26 | C30 | C29 | C28 | 0.3° | 1.3° |
| N26 | C30 | C29 | C32 | 178.0° | 179.6° |
| N26 | C30 | C29 | C31 | 178.9° | 178.7° |
| N26 | C30 | C32 | C43 | 44.3° | 35.9° |
| N26 | C30 | C32 | C39 | 140.4° | 143.8° |
| C30 | N26 | C44 | C46 | 72.1° | 57.6° |
| C30 | N26 | C44 | H44 | 167.9° | 177.2° |
| C30 | N26 | C44 | H44A | 47.9° | 62.0° |
| C27 | C28 | C29 | C30 | 1.3° | 0.4° |
| C27 | C28 | C29 | C31 | 178.1° | 179.6° |
| C28 | C29 | C30 | C31 | 179.2° | 179.9° |
| C28 | C29 | C30 | C32 | 178.3° | 178.2° |
| C28 | C29 | C31 | C37 | 57.9° | 60.0° |
| C28 | C29 | C31 | C33 | 70.3° | 60.0° |
| C28 | C29 | C31 | H31 | 177.0° | 179.9° |
| C30 | C29 | C31 | C37 | 121.3° | 120.0° |
| C30 | C29 | C31 | C33 | 110.6° | 120.0° |
| C30 | C29 | C31 | H31 | 2.1° | 0.0° |
| C29 | C30 | C32 | C43 | 133.5° | 144.6° |
| C29 | C30 | C32 | C39 | 41.8° | 35.7° |
| C31 | C29 | C30 | C32 | 0.9° | 1.7° |
| C29 | C31 | C37 | C33 | 130.5° | 120.0° |
| C29 | C31 | C37 | H31 | 116.0° | 120.0° |
| C29 | C31 | C33 | H31 | 114.8° | 120.0° |
| C29 | C31 | C33 | C34 | 176.7° | 180.0° |
| C29 | C31 | C33 | H33 | 63.3° | 60.0° |
| C29 | C31 | C33 | H33A | 56.7° | 60.0° |
| C29 | C31 | C37 | C36 | 176.4° | 180.0° |
| C29 | C31 | C37 | H37 | 63.6° | 60.0° |
| C29 | C31 | C37 | H37A | 56.4° | 60.0° |
| C30 | C32 | C43 | C39 | 175.2° | 179.7° |
| C30 | C32 | C39 | C40 | 172.7° | 178.3° |
| C30 | C32 | C39 | H39 | 7.3° | 1.7° |
| C30 | C32 | C43 | C42 | 173.4° | 177.2° |
| C30 | C32 | C43 | N45 | 4.7° | 5.8° |
| C37 | C31 | C33 | H31 | 118.6° | 120.0° |
| C37 | C31 | C33 | C34 | 50.1° | 60.0° |
| C37 | C31 | C33 | H33 | 170.1° | 180.0° |
| C37 | C31 | C33 | H33A | 69.9° | 60.0° |
| C31 | C37 | C36 | C35 | 59.6° | 60.1° |
| C31 | C37 | C36 | H37 | 120.0° | 120.0° |
| C31 | C37 | C36 | H37A | 120.0° | 120.0° |
| C31 | C37 | C36 | H36 | 60.4° | 60.0° |
| C31 | C37 | C36 | H36A | 179.6° | 179.9° |
| C31 | C37 | H37 | H37A | 119.3° | 120.0° |
| C31 | C33 | C34 | H33 | 120.0° | 120.0° |
| C31 | C33 | C34 | H33A | 120.0° | 120.0° |
| C31 | C33 | H33 | H33A | 119.3° | 120.0° |
| C31 | C33 | C34 | C35 | 54.9° | 60.0° |
| C31 | C33 | C34 | H34 | 65.1° | 60.0° |
| C31 | C33 | C34 | H34A | 174.9° | 180.0° |
| C33 | C31 | C37 | C36 | 53.1° | 60.0° |
| C33 | C31 | C37 | H37 | 66.9° | 60.0° |
| C33 | C31 | C37 | H37A | 173.1° | 180.0° |
| H31 | C31 | C33 | C34 | 68.5° | 60.1° |
| H31 | C31 | C33 | H33 | 51.5° | 59.9° |
| H31 | C31 | C33 | H33A | 171.5° | NaN° |
| H31 | C31 | C37 | C36 | 60.4° | 60.0° |
| H31 | C31 | C37 | H37 | 179.6° | 180.0° |
| H31 | C31 | C37 | H37A | 59.6° | 60.0° |
| C43 | C32 | C39 | C40 | 2.5° | 1.5° |
| C43 | C32 | C39 | H39 | 177.5° | 178.5° |
| C32 | C43 | C42 | C41 | 0.3° | 1.8° |
| C32 | C43 | C42 | N45 | 178.2° | 177.2° |
| C32 | C43 | C42 | H42 | 179.7° | 178.1° |
| C32 | C43 | N45 | C46 | 39.4° | 42.4° |
| C32 | C43 | N45 | HN45 | 140.5° | 137.7° |
| C32 | C39 | C40 | H39 | 180.0° | 180.0° |
| C32 | C39 | C40 | C41 | 1.7° | 0.2° |
| C32 | C39 | C40 | H40 | 178.3° | 179.8° |
| C39 | C32 | C43 | C42 | 1.8° | 2.5° |
| C39 | C32 | C43 | N45 | 179.9° | 174.5° |
| C34 | C33 | H33 | H33A | 119.3° | 120.0° |
| C33 | C34 | C35 | H34 | 120.0° | 120.0° |
| C33 | C34 | C35 | H34A | 120.0° | 120.0° |
| C33 | C34 | H34 | H34A | 119.7° | 120.0° |
| C33 | C34 | C35 | C36 | 62.9° | 60.0° |
| C33 | C34 | C35 | H35 | 177.1° | 179.9° |
| C33 | C34 | C35 | H35A | 57.0° | 60.0° |
| H33 | C33 | C34 | C35 | 174.9° | 180.0° |
| H33 | C33 | C34 | H34 | 54.9° | 60.0° |
| H33 | C33 | C34 | H34A | 65.1° | 60.0° |
| H33A | C33 | C34 | C35 | 65.1° | 59.9° |
| H33A | C33 | C34 | H34 | 174.9° | 180.0° |
| H33A | C33 | C34 | H34A | 54.9° | 60.0° |
| C35 | C34 | H34 | H34A | 119.8° | 120.0° |
| C34 | C35 | C36 | H35 | 120.0° | 119.9° |
| C34 | C35 | C36 | H35A | 120.0° | 120.0° |
| C34 | C35 | H35 | H35A | 120.1° | 120.0° |
| C34 | C35 | C36 | C37 | 64.7° | 60.0° |
| C34 | C35 | C36 | H36 | 55.3° | 60.0° |
| C34 | C35 | C36 | H36A | 175.3° | 180.0° |
| H34 | C34 | C35 | C36 | 57.0° | 60.0° |
| H34 | C34 | C35 | H35 | 63.0° | 59.9° |
| H34 | C34 | C35 | H35A | 177.0° | 180.0° |
| H34A | C34 | C35 | C36 | 177.1° | 180.0° |
| H34A | C34 | C35 | H35 | 57.1° | 60.1° |
| H34A | C34 | C35 | H35A | 62.9° | 60.0° |
| C36 | C35 | H35 | H35A | 120.1° | 120.1° |
| C35 | C36 | C37 | H36 | 120.0° | 120.1° |
| C35 | C36 | C37 | H36A | 120.0° | 120.0° |
| C35 | C36 | H36 | H36A | 120.7° | 120.0° |
| C35 | C36 | C37 | H37 | 60.4° | 59.9° |
| C35 | C36 | C37 | H37A | 179.6° | 180.0° |
| H35 | C35 | C36 | C37 | 175.3° | 180.0° |
| H35 | C35 | C36 | H36 | 64.7° | 59.9° |
| H35 | C35 | C36 | H36A | 55.3° | 60.0° |
| H35A | C35 | C36 | C37 | 55.3° | 60.0° |
| H35A | C35 | C36 | H36 | 175.3° | 180.0° |
| H35A | C35 | C36 | H36A | 64.7° | 60.0° |
| C37 | C36 | H36 | H36A | 120.7° | 120.0° |
| C36 | C37 | H37 | H37A | 119.3° | 120.0° |
| H36 | C36 | C37 | H37 | 179.6° | 180.0° |
| H36 | C36 | C37 | H37A | 59.6° | 60.0° |
| H36A | C36 | C37 | H37 | 59.6° | 60.0° |
| H36A | C36 | C37 | H37A | 60.4° | 60.0° |
| C39 | C40 | C41 | H40 | 180.0° | 179.9° |
| C39 | C40 | C41 | C42 | 0.2° | 0.9° |
| C39 | C40 | C41 | H41 | 179.8° | 179.1° |
| H39 | C39 | C40 | C41 | 178.3° | 179.8° |
| H39 | C39 | C40 | H40 | 1.7° | 0.2° |
| C40 | C41 | C42 | H41 | 180.0° | 180.0° |
| C40 | C41 | C42 | C43 | 0.5° | 0.1° |
| C40 | C41 | C42 | H42 | 179.5° | 179.8° |
| H40 | C40 | C41 | C42 | 179.8° | 179.1° |
| H40 | C40 | C41 | H41 | 0.2° | 0.9° |
| C41 | C42 | C43 | H42 | 180.0° | 180.0° |
| C41 | C42 | C43 | N45 | 178.5° | 175.3° |
| H41 | C41 | C42 | C43 | 179.5° | 179.9° |
| H41 | C41 | C42 | H42 | 0.5° | 0.1° |
| C42 | C43 | N45 | C46 | 142.4° | 140.6° |
| C42 | C43 | N45 | HN45 | 37.6° | 39.4° |
| H42 | C42 | C43 | N45 | 1.5° | 4.7° |
| C43 | N45 | C46 | C44 | 0.5° | 0.3° |
| C43 | N45 | C46 | HN45 | 180.0° | 180.0° |
| C43 | N45 | C46 | O47 | 179.6° | 179.8° |
| C46 | C44 | H44 | H44A | 123.1° | 120.8° |
| C44 | C46 | N45 | O47 | 179.1° | 179.9° |
| C44 | C46 | N45 | HN45 | 179.5° | 179.7° |
| H44 | C44 | C46 | N45 | 172.3° | 178.2° |
| H44 | C44 | C46 | O47 | 8.5° | 1.7° |
| H44A | C44 | C46 | N45 | 52.3° | 57.4° |
| H44A | C44 | C46 | O47 | 128.5° | 122.5° |
| HN45 | N45 | C46 | O47 | 0.4° | 0.2° |
