A1JXR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | sing | 1.58Å | 1.35Å | |
| C23 | C24 | sing | 1.58Å | 1.36Å | |
| C22 | C30 | sing | 1.53Å | 1.43Å | |
| C22 | C19 | sing | 1.53Å | 1.60Å | |
| C30 | C29 | sing | 1.37Å | 1.58Å | Aromatic |
| C30 | C25 | doub | 1.39Å | 1.04Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.43Å | |
| C24 | C18 | sing | 1.53Å | 1.60Å | |
| C19 | C20 | sing | 1.38Å | 1.34Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.62Å | Aromatic |
| C29 | C28 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.70Å | Aromatic |
| C25 | C26 | sing | 1.37Å | 1.58Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.34Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.33Å | Aromatic |
| O4 | P1 | doub | 1.48Å | 1.53Å | |
| C26 | C27 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | C13 | sing | 1.53Å | 1.34Å | |
| C21 | C16 | sing | 1.39Å | 1.25Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.70Å | Aromatic |
| C13 | C14 | sing | 1.58Å | 1.47Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C16 | C15 | sing | 1.53Å | 1.33Å | |
| C14 | C15 | sing | 1.59Å | 1.47Å | |
| P1 | O3 | sing | 1.61Å | 1.48Å | |
| P1 | O5 | sing | 1.61Å | 1.64Å | |
| P1 | O2 | sing | 1.61Å | 1.69Å | |
| C15 | C11 | sing | 1.53Å | 1.53Å | |
| O5 | C7 | sing | 1.36Å | 1.38Å | |
| C12 | C7 | doub | 1.38Å | 1.49Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.80Å | Aromatic |
| O2 | C6 | sing | 1.43Å | 1.43Å | |
| C3 | N1 | sing | 1.35Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.35Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.51Å | Aromatic |
| N1 | N3 | sing | 1.29Å | 1.37Å | Aromatic |
| C45 | C44 | doub | 1.38Å | 1.38Å | Aromatic |
| C45 | C46 | sing | 1.38Å | 1.33Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.51Å | Aromatic |
| C44 | C43 | sing | 1.37Å | 1.60Å | Aromatic |
| C46 | C47 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | C5 | sing | 1.53Å | 1.56Å | |
| C4 | C5 | sing | 1.51Å | 1.55Å | |
| C4 | N2 | sing | 1.34Å | 1.39Å | Aromatic |
| N3 | N2 | doub | 1.29Å | 1.40Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.79Å | Aromatic |
| C8 | C33 | sing | 1.53Å | 1.57Å | |
| C10 | O6 | sing | 1.36Å | 1.34Å | |
| C10 | C9 | sing | 1.38Å | 1.50Å | Aromatic |
| C47 | C48 | sing | 1.37Å | 1.58Å | Aromatic |
| C43 | C48 | doub | 1.39Å | 1.04Å | Aromatic |
| C43 | C42 | sing | 1.53Å | 1.42Å | |
| O9 | P2 | doub | 1.48Å | 1.50Å | |
| O6 | P2 | sing | 1.61Å | 1.64Å | |
| C9 | C31 | sing | 1.53Å | 1.56Å | |
| C35 | C34 | doub | 1.38Å | 1.70Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.32Å | Aromatic |
| C33 | C34 | sing | 1.53Å | 1.34Å | |
| C33 | C32 | sing | 1.58Å | 1.48Å | |
| C48 | C40 | sing | 1.53Å | 1.43Å | |
| C34 | C39 | sing | 1.39Å | 1.24Å | Aromatic |
| C42 | C36 | sing | 1.53Å | 1.60Å | |
| C42 | C41 | sing | 1.58Å | 1.34Å | |
| C36 | C37 | doub | 1.39Å | 1.58Å | Aromatic |
| P2 | O7 | sing | 1.61Å | 1.49Å | |
| P2 | O8 | sing | 1.61Å | 1.51Å | |
| C39 | C31 | sing | 1.53Å | 1.35Å | |
| C39 | C38 | doub | 1.38Å | 1.70Å | Aromatic |
| C31 | C32 | sing | 1.58Å | 1.48Å | |
| C37 | C40 | sing | 1.53Å | 1.61Å | |
| C37 | C38 | sing | 1.38Å | 1.33Å | Aromatic |
| C40 | C41 | sing | 1.58Å | 1.36Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| C28 | H22 | sing | 1.08Å | 1.08Å | |
| C29 | H23 | sing | 1.08Å | 1.08Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C32 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| C33 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.08Å | 1.08Å | |
| C38 | H29 | sing | 1.08Å | 1.08Å | |
| C40 | H30 | sing | 1.09Å | 1.10Å | |
| C41 | H31 | sing | 1.09Å | 1.10Å | |
| C41 | H32 | sing | 1.09Å | 1.10Å | |
| C42 | H33 | sing | 1.09Å | 1.10Å | |
| C44 | H34 | sing | 1.08Å | 1.08Å | |
| C45 | H35 | sing | 1.08Å | 1.08Å | |
| C46 | H36 | sing | 1.08Å | 1.08Å | |
| C47 | H37 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C23 | C24 | 99.7° | 92.3° |
| C23 | C22 | C30 | 97.5° | 99.6° |
| C23 | C22 | C19 | 99.7° | 99.7° |
| C23 | C22 | H16 | 119.5° | 117.7° |
| C22 | C23 | H17 | 111.8° | 112.7° |
| C22 | C23 | H18 | 111.9° | 112.7° |
| C23 | C24 | C25 | 97.2° | 99.5° |
| C23 | C24 | C18 | 101.5° | 99.4° |
| C24 | C23 | H17 | 111.9° | 112.8° |
| C24 | C23 | H18 | 111.9° | 112.7° |
| C23 | C24 | H19 | 118.6° | 116.9° |
| C30 | C22 | C19 | 104.8° | 104.1° |
| C22 | C30 | C29 | 126.9° | 132.9° |
| C22 | C30 | C25 | 111.1° | 106.8° |
| C30 | C22 | H16 | 117.8° | 116.5° |
| C22 | C19 | C20 | 137.0° | 132.7° |
| C22 | C19 | C18 | 99.9° | 106.9° |
| C19 | C22 | H16 | 114.5° | 116.5° |
| C29 | C30 | C25 | 122.0° | 120.4° |
| C30 | C29 | C28 | 117.5° | 119.5° |
| C30 | C29 | H23 | 121.3° | 120.3° |
| C30 | C25 | C24 | 111.7° | 106.9° |
| C30 | C25 | C26 | 122.2° | 120.1° |
| C25 | C24 | C18 | 105.8° | 104.5° |
| C24 | C25 | C26 | 126.0° | 133.0° |
| C25 | C24 | H19 | 117.2° | 116.5° |
| C24 | C18 | C19 | 96.4° | 106.7° |
| C24 | C18 | C17 | 138.2° | 132.9° |
| C18 | C24 | H19 | 114.0° | 117.2° |
| C20 | C19 | C18 | 123.1° | 120.4° |
| C19 | C20 | C21 | 112.3° | 119.1° |
| C19 | C20 | H15 | 123.9° | 120.4° |
| C19 | C18 | C17 | 125.4° | 120.4° |
| C29 | C28 | C27 | 120.7° | 120.1° |
| C29 | C28 | H22 | 119.6° | 119.9° |
| C28 | C29 | H23 | 121.3° | 120.2° |
| C20 | C21 | C13 | 122.8° | 132.5° |
| C20 | C21 | C16 | 124.8° | 120.5° |
| C21 | C20 | H15 | 123.8° | 120.5° |
| C25 | C26 | C27 | 117.7° | 119.6° |
| C25 | C26 | H20 | 121.2° | 120.2° |
| C18 | C17 | C16 | 112.1° | 119.3° |
| C18 | C17 | H14 | 124.0° | 120.3° |
| C28 | C27 | C26 | 119.9° | 120.2° |
| C28 | C27 | H21 | 120.0° | 119.9° |
| C27 | C28 | H22 | 119.7° | 120.0° |
| O4 | P1 | O3 | 111.7° | 109.5° |
| O4 | P1 | O5 | 101.9° | 109.5° |
| O4 | P1 | O2 | 118.2° | 109.5° |
| C27 | C26 | H20 | 121.1° | 120.2° |
| C26 | C27 | H21 | 120.0° | 119.9° |
| C13 | C21 | C16 | 112.4° | 107.0° |
| C21 | C13 | C14 | 98.2° | 99.3° |
| C21 | C13 | C12 | 102.1° | 104.7° |
| C21 | C13 | H10 | 119.6° | 117.2° |
| C21 | C16 | C17 | 122.3° | 120.3° |
| C21 | C16 | C15 | 111.3° | 106.8° |
| C17 | C16 | C15 | 126.4° | 132.9° |
| C16 | C17 | H14 | 123.9° | 120.4° |
| C14 | C13 | C12 | 101.8° | 99.7° |
| C13 | C14 | C15 | 99.5° | 92.0° |
| C14 | C13 | H10 | 116.7° | 116.9° |
| C13 | C14 | H11 | 111.9° | 112.7° |
| C13 | C14 | H12 | 111.9° | 112.7° |
| C13 | C12 | C7 | 139.0° | 132.8° |
| C13 | C12 | C11 | 96.3° | 107.0° |
| C12 | C13 | H10 | 115.4° | 116.3° |
| C16 | C15 | C14 | 99.0° | 99.5° |
| C16 | C15 | C11 | 101.9° | 105.3° |
| C16 | C15 | H13 | 120.2° | 117.0° |
| C14 | C15 | C11 | 99.1° | 99.0° |
| C15 | C14 | H11 | 111.9° | 113.0° |
| C15 | C14 | H12 | 111.9° | 112.7° |
| C14 | C15 | H13 | 117.1° | 116.9° |
| O3 | P1 | O5 | 113.6° | 109.5° |
| O3 | P1 | O2 | 110.8° | 109.4° |
| P1 | O3 | HO3 | 109.5° | 114.0° |
| O5 | P1 | O2 | 99.9° | 109.5° |
| P1 | O5 | C7 | 113.1° | 114.0° |
| P1 | O2 | C6 | 116.8° | 123.0° |
| C15 | C11 | C12 | 100.3° | 106.7° |
| C15 | C11 | C10 | 137.7° | 132.9° |
| C11 | C15 | H13 | 116.0° | 116.4° |
| O5 | C7 | C12 | 124.1° | 120.3° |
| O5 | C7 | C8 | 123.8° | 120.4° |
| C7 | C12 | C11 | 124.6° | 120.3° |
| C12 | C7 | C8 | 112.2° | 119.3° |
| C12 | C11 | C10 | 122.0° | 120.4° |
| O2 | C6 | C5 | 108.2° | 109.5° |
| O2 | C6 | H5 | 109.8° | 109.4° |
| O2 | C6 | H6 | 109.8° | 109.5° |
| N1 | C3 | C4 | 104.0° | 106.2° |
| C3 | N1 | N3 | 113.4° | 108.3° |
| C3 | N1 | HN1 | 123.3° | 125.8° |
| N1 | C3 | H2 | 128.0° | 127.0° |
| C3 | C4 | C5 | 125.6° | 126.8° |
| C3 | C4 | N2 | 109.1° | 106.5° |
| C4 | C3 | H2 | 128.0° | 126.8° |
| C7 | C8 | C9 | 124.1° | 120.4° |
| C7 | C8 | C33 | 139.5° | 132.8° |
| N1 | N3 | N2 | 104.3° | 110.2° |
| N3 | N1 | HN1 | 123.3° | 125.9° |
| C44 | C45 | C46 | 119.9° | 120.2° |
| C45 | C44 | C43 | 116.6° | 119.7° |
| C45 | C44 | H34 | 121.7° | 120.2° |
| C44 | C45 | H35 | 120.0° | 119.9° |
| C45 | C46 | C47 | 121.4° | 120.1° |
| C46 | C45 | H35 | 120.0° | 119.9° |
| C45 | C46 | H36 | 119.3° | 119.9° |
| C11 | C10 | O6 | 122.3° | 120.4° |
| C11 | C10 | C9 | 114.3° | 119.3° |
| C44 | C43 | C48 | 122.7° | 120.1° |
| C44 | C43 | C42 | 126.4° | 133.0° |
| C43 | C44 | H34 | 121.7° | 120.2° |
| C46 | C47 | C48 | 117.7° | 119.6° |
| C47 | C46 | H36 | 119.3° | 120.0° |
| C46 | C47 | H37 | 121.1° | 120.2° |
| C6 | C5 | C4 | 109.4° | 109.5° |
| C6 | C5 | H3 | 109.5° | 109.4° |
| C6 | C5 | H4 | 109.5° | 109.5° |
| C5 | C6 | H5 | 109.8° | 109.5° |
| C5 | C6 | H6 | 109.8° | 109.5° |
| C5 | C4 | N2 | 125.2° | 126.8° |
| C4 | C5 | H3 | 109.5° | 109.5° |
| C4 | C5 | H4 | 109.5° | 109.5° |
| C4 | N2 | N3 | 109.2° | 108.9° |
| C9 | C8 | C33 | 96.4° | 106.8° |
| C8 | C9 | C10 | 122.7° | 120.2° |
| C8 | C9 | C31 | 99.9° | 106.9° |
| C8 | C33 | C34 | 108.3° | 105.0° |
| C8 | C33 | C32 | 99.9° | 99.2° |
| C8 | C33 | H27 | 114.2° | 116.4° |
| O6 | C10 | C9 | 123.2° | 120.3° |
| C10 | O6 | P2 | 113.4° | 114.0° |
| C10 | C9 | C31 | 137.4° | 132.8° |
| C47 | C48 | C43 | 121.8° | 120.3° |
| C47 | C48 | C40 | 127.1° | 132.9° |
| C48 | C47 | H37 | 121.1° | 120.2° |
| C48 | C43 | C42 | 110.9° | 106.9° |
| C43 | C48 | C40 | 111.2° | 106.8° |
| C43 | C42 | C36 | 107.2° | 104.3° |
| C43 | C42 | C41 | 97.8° | 99.6° |
| C43 | C42 | H33 | 117.3° | 117.2° |
| O9 | P2 | O6 | 97.2° | 109.5° |
| O9 | P2 | O7 | 117.5° | 109.5° |
| O9 | P2 | O8 | 118.6° | 109.5° |
| O6 | P2 | O7 | 112.6° | 109.5° |
| O6 | P2 | O8 | 105.0° | 109.5° |
| C9 | C31 | C39 | 108.8° | 104.6° |
| C9 | C31 | C32 | 97.4° | 99.5° |
| C9 | C31 | H24 | 114.6° | 116.4° |
| C34 | C35 | C36 | 113.0° | 119.3° |
| C35 | C34 | C33 | 123.1° | 132.9° |
| C35 | C34 | C39 | 123.8° | 120.2° |
| C34 | C35 | H28 | 123.5° | 120.4° |
| C35 | C36 | C42 | 135.1° | 132.9° |
| C35 | C36 | C37 | 124.3° | 120.4° |
| C36 | C35 | H28 | 123.5° | 120.3° |
| C34 | C33 | C32 | 97.4° | 99.5° |
| C33 | C34 | C39 | 113.1° | 106.9° |
| C34 | C33 | H27 | 118.6° | 116.4° |
| C33 | C32 | C31 | 98.0° | 92.3° |
| C33 | C32 | H25 | 112.2° | 112.7° |
| C33 | C32 | H26 | 112.3° | 112.8° |
| C32 | C33 | H27 | 115.7° | 117.6° |
| C48 | C40 | C37 | 108.4° | 104.1° |
| C48 | C40 | C41 | 96.5° | 99.6° |
| C48 | C40 | H30 | 117.0° | 117.3° |
| C34 | C39 | C31 | 110.2° | 106.8° |
| C34 | C39 | C38 | 121.1° | 120.5° |
| C36 | C42 | C41 | 98.5° | 99.5° |
| C42 | C36 | C37 | 100.6° | 106.8° |
| C36 | C42 | H33 | 114.1° | 116.5° |
| C42 | C41 | C40 | 99.5° | 92.4° |
| C42 | C41 | H31 | 111.9° | 112.7° |
| C42 | C41 | H32 | 111.9° | 112.8° |
| C41 | C42 | H33 | 119.1° | 116.9° |
| C36 | C37 | C40 | 96.7° | 106.9° |
| C36 | C37 | C38 | 123.6° | 120.4° |
| O7 | P2 | O8 | 105.3° | 109.4° |
| P2 | O7 | HO7 | 109.5° | 114.0° |
| P2 | O8 | HO8 | 109.5° | 114.0° |
| C31 | C39 | C38 | 128.7° | 132.6° |
| C39 | C31 | C32 | 98.3° | 99.4° |
| C39 | C31 | H24 | 118.7° | 117.2° |
| C39 | C38 | C37 | 114.1° | 119.2° |
| C39 | C38 | H29 | 122.9° | 120.4° |
| C32 | C31 | H24 | 116.1° | 116.9° |
| C31 | C32 | H25 | 112.3° | 112.7° |
| C31 | C32 | H26 | 112.3° | 112.7° |
| C40 | C37 | C38 | 139.6° | 132.7° |
| C37 | C40 | C41 | 100.2° | 99.6° |
| C37 | C40 | H30 | 113.8° | 116.5° |
| C37 | C38 | H29 | 123.0° | 120.4° |
| C41 | C40 | H30 | 118.5° | 117.0° |
| C40 | C41 | H31 | 111.9° | 112.7° |
| C40 | C41 | H32 | 111.9° | 112.7° |
| H3 | C5 | H4 | 109.5° | 109.4° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 112.3° |
| H17 | C23 | H18 | 109.5° | 112.3° |
| H25 | C32 | H26 | 109.5° | 112.2° |
| H31 | C41 | H32 | 109.5° | 112.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C23 | C24 | H17 | 118.4° | 115.8° |
| C22 | C23 | C24 | H18 | 118.4° | 115.8° |
| C23 | C22 | C30 | C19 | 102.2° | 102.6° |
| C23 | C22 | C30 | H16 | 129.1° | 127.6° |
| C23 | C22 | C19 | H16 | 128.8° | 127.7° |
| C23 | C22 | C30 | C29 | 149.9° | 144.3° |
| C23 | C22 | C30 | C25 | 29.6° | 35.6° |
| C22 | C23 | C24 | C25 | 43.3° | 53.1° |
| C22 | C23 | C24 | C18 | 64.5° | 53.4° |
| C23 | C22 | C19 | C20 | 144.2° | 144.8° |
| C23 | C22 | C19 | C18 | 35.1° | 34.7° |
| C22 | C23 | H17 | H18 | 124.6° | 128.5° |
| C22 | C23 | C24 | H19 | 169.8° | 179.4° |
| C24 | C23 | C22 | C30 | 44.0° | 53.3° |
| C24 | C23 | C22 | C19 | 62.5° | 52.9° |
| C23 | C24 | C25 | C30 | 27.5° | 35.3° |
| C23 | C24 | C25 | C18 | 104.2° | 102.4° |
| C23 | C24 | C25 | H19 | 127.4° | 126.6° |
| C23 | C24 | C18 | H19 | 128.7° | 127.0° |
| C23 | C24 | C18 | C19 | 36.2° | 36.2° |
| C23 | C24 | C25 | C26 | 150.5° | 144.7° |
| C23 | C24 | C18 | C17 | 144.6° | 143.1° |
| C24 | C23 | C22 | H16 | 171.9° | 179.9° |
| C24 | C23 | H17 | H18 | 124.6° | 128.6° |
| C30 | C22 | C19 | H16 | 130.6° | 129.7° |
| C22 | C30 | C29 | C25 | 179.4° | 179.9° |
| C22 | C30 | C25 | C24 | 1.1° | 0.2° |
| C30 | C22 | C19 | C20 | 115.3° | 112.7° |
| C30 | C22 | C19 | C18 | 65.4° | 67.9° |
| C22 | C30 | C29 | C28 | 180.0° | 180.0° |
| C22 | C30 | C25 | C26 | 179.2° | 179.8° |
| C30 | C22 | C23 | H17 | 162.4° | 169.2° |
| C30 | C22 | C23 | H18 | 74.4° | 62.5° |
| C22 | C30 | C29 | H23 | 0.0° | 0.0° |
| C19 | C22 | C30 | C29 | 107.9° | 113.0° |
| C19 | C22 | C30 | C25 | 72.6° | 67.0° |
| C22 | C19 | C18 | C24 | 0.6° | 1.0° |
| C22 | C19 | C20 | C18 | 179.2° | 179.3° |
| C22 | C19 | C20 | C21 | 179.9° | 177.8° |
| C22 | C19 | C18 | C17 | 180.0° | 178.5° |
| C22 | C19 | C20 | H15 | 0.1° | 2.1° |
| C19 | C22 | C23 | H17 | 55.9° | 62.9° |
| C19 | C22 | C23 | H18 | 179.1° | 168.7° |
| C29 | C30 | C25 | C24 | 178.4° | 179.8° |
| C30 | C29 | C28 | H23 | 180.0° | 180.0° |
| C29 | C30 | C25 | C26 | 0.3° | 0.2° |
| C30 | C29 | C28 | C27 | 0.5° | 0.1° |
| C29 | C30 | C22 | H16 | 20.8° | 16.7° |
| C30 | C29 | C28 | H22 | 179.5° | 180.0° |
| C30 | C25 | C24 | C26 | 178.0° | 180.0° |
| C30 | C25 | C24 | C18 | 76.7° | 67.2° |
| C25 | C30 | C29 | C28 | 0.6° | 0.1° |
| C30 | C25 | C26 | C27 | 1.3° | 0.2° |
| C25 | C30 | C22 | H16 | 158.7° | 163.2° |
| C30 | C25 | C24 | H19 | 154.9° | 161.9° |
| C30 | C25 | C26 | H20 | 178.7° | 179.8° |
| C25 | C30 | C29 | H23 | 179.4° | 179.9° |
| C25 | C24 | C18 | H19 | 130.3° | 130.5° |
| C25 | C24 | C18 | C19 | 64.8° | 66.3° |
| C25 | C24 | C18 | C17 | 114.4° | 114.4° |
| C24 | C25 | C26 | C27 | 179.1° | 179.7° |
| C25 | C24 | C23 | H17 | 161.7° | 168.9° |
| C25 | C24 | C23 | H18 | 75.0° | 62.6° |
| C24 | C25 | C26 | H20 | 0.9° | 0.2° |
| C24 | C18 | C19 | C20 | 179.9° | 179.5° |
| C24 | C18 | C19 | C17 | 179.3° | 179.4° |
| C18 | C24 | C25 | C26 | 105.3° | 112.9° |
| C24 | C18 | C17 | C16 | 178.4° | 178.7° |
| C24 | C18 | C17 | H14 | 1.6° | 1.4° |
| C18 | C24 | C23 | H17 | 53.9° | 62.4° |
| C18 | C24 | C23 | H18 | 177.1° | 169.2° |
| C19 | C20 | C21 | H15 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.6° | 1.0° |
| C19 | C20 | C21 | C13 | 179.2° | 179.6° |
| C19 | C20 | C21 | C16 | 0.0° | 0.5° |
| C20 | C19 | C22 | H16 | 15.3° | 17.0° |
| C18 | C19 | C20 | C21 | 1.0° | 1.6° |
| C19 | C18 | C17 | C16 | 0.6° | 0.6° |
| C19 | C18 | C17 | H14 | 179.4° | 179.3° |
| C18 | C19 | C20 | H15 | 179.0° | 178.6° |
| C18 | C19 | C22 | H16 | 164.0° | 162.4° |
| C19 | C18 | C24 | H19 | 164.9° | 163.1° |
| C29 | C28 | C27 | H22 | 180.0° | 180.0° |
| C29 | C28 | C27 | C26 | 0.5° | 0.1° |
| C29 | C28 | C27 | H21 | 179.5° | 179.9° |
| C20 | C21 | C13 | C16 | 179.3° | 179.9° |
| C20 | C21 | C16 | C17 | 1.3° | 1.1° |
| C20 | C21 | C13 | C14 | 152.2° | 143.3° |
| C20 | C21 | C13 | C12 | 103.7° | 114.1° |
| C20 | C21 | C16 | C15 | 179.0° | 178.8° |
| C20 | C21 | C13 | H10 | 25.1° | 16.4° |
| C25 | C26 | C27 | C28 | 1.3° | 0.1° |
| C25 | C26 | C27 | H20 | 180.0° | 180.0° |
| C26 | C25 | C24 | H19 | 23.1° | 18.1° |
| C25 | C26 | C27 | H21 | 178.7° | 180.0° |
| C18 | C17 | C16 | C21 | 1.5° | 1.6° |
| C18 | C17 | C16 | H14 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 178.9° | 178.2° |
| C17 | C18 | C24 | H19 | 15.9° | 16.2° |
| C28 | C27 | C26 | H21 | 180.0° | 180.0° |
| C28 | C27 | C26 | H20 | 178.7° | 179.9° |
| C27 | C28 | C29 | H23 | 179.5° | 179.9° |
| O4 | P1 | O3 | O5 | 114.5° | 120.0° |
| O4 | P1 | O3 | O2 | 134.1° | 120.0° |
| O4 | P1 | O5 | O2 | 121.8° | 120.0° |
| O4 | P1 | O5 | C7 | 115.4° | 55.0° |
| O4 | P1 | O2 | C6 | 168.4° | 55.0° |
| O4 | P1 | O3 | HO3 | 0.0° | 180.0° |
| C26 | C27 | C28 | H22 | 179.5° | 180.0° |
| C13 | C21 | C16 | C17 | 178.0° | 178.8° |
| C21 | C13 | C14 | C12 | 104.3° | 106.8° |
| C21 | C13 | C14 | H10 | 129.1° | 127.0° |
| C21 | C13 | C12 | H10 | 131.4° | 131.0° |
| C13 | C21 | C16 | C15 | 0.3° | 1.3° |
| C21 | C13 | C14 | C15 | 40.3° | 53.8° |
| C21 | C13 | C12 | C7 | 114.8° | 113.3° |
| C21 | C13 | C12 | C11 | 66.1° | 68.3° |
| C21 | C13 | C14 | H11 | 158.7° | 169.8° |
| C21 | C13 | C14 | H12 | 78.0° | 61.9° |
| C13 | C21 | C20 | H15 | 0.8° | 0.3° |
| C21 | C16 | C17 | C15 | 177.3° | 179.8° |
| C16 | C21 | C13 | C14 | 27.1° | 36.8° |
| C16 | C21 | C13 | C12 | 77.0° | 65.9° |
| C21 | C16 | C15 | C14 | 26.7° | 34.5° |
| C21 | C16 | C15 | C11 | 74.7° | 67.6° |
| C16 | C21 | C13 | H10 | 154.2° | 163.6° |
| C21 | C16 | C15 | H13 | 155.4° | 161.4° |
| C21 | C16 | C17 | H14 | 178.4° | 178.3° |
| C16 | C21 | C20 | H15 | 180.0° | 179.6° |
| C17 | C16 | C15 | C14 | 150.9° | 145.3° |
| C17 | C16 | C15 | C11 | 107.7° | 112.6° |
| C17 | C16 | C15 | H13 | 22.1° | 18.4° |
| C14 | C13 | C12 | H10 | 127.4° | 126.6° |
| C13 | C14 | C15 | C16 | 40.6° | 53.1° |
| C13 | C14 | C15 | H11 | 118.4° | 115.7° |
| C13 | C14 | C15 | H12 | 118.3° | 115.7° |
| C13 | C14 | C15 | C11 | 63.1° | 54.2° |
| C14 | C13 | C12 | C7 | 143.9° | 144.4° |
| C14 | C13 | C12 | C11 | 35.1° | 34.1° |
| C13 | C14 | H11 | H12 | 124.7° | 128.6° |
| C13 | C14 | C15 | H13 | 171.4° | 179.9° |
| C12 | C13 | C14 | C15 | 64.0° | 53.0° |
| C13 | C12 | C11 | C15 | 1.1° | 2.2° |
| C13 | C12 | C7 | O5 | 2.9° | 4.7° |
| C13 | C12 | C7 | C11 | 178.9° | 178.3° |
| C13 | C12 | C7 | C8 | 178.3° | 175.1° |
| C13 | C12 | C11 | C10 | 179.5° | 176.5° |
| C12 | C13 | C14 | H11 | 54.3° | 63.0° |
| C12 | C13 | C14 | H12 | 177.6° | 168.6° |
| C16 | C15 | C14 | C11 | 103.7° | 107.3° |
| C16 | C15 | C14 | H13 | 130.8° | 127.0° |
| C16 | C15 | C11 | H13 | 132.4° | 131.4° |
| C16 | C15 | C11 | C12 | 64.8° | 65.1° |
| C16 | C15 | C11 | C10 | 113.3° | 116.4° |
| C16 | C15 | C14 | H11 | 158.9° | 168.8° |
| C16 | C15 | C14 | H12 | 77.8° | 62.6° |
| C15 | C16 | C17 | H14 | 1.1° | 1.9° |
| C14 | C15 | C11 | H13 | 126.3° | 126.1° |
| C14 | C15 | C11 | C12 | 36.5° | 37.4° |
| C14 | C15 | C11 | C10 | 145.4° | 141.1° |
| C15 | C14 | C13 | H10 | 169.4° | 179.2° |
| C15 | C14 | H11 | H12 | 124.7° | 128.8° |
| O3 | P1 | O5 | O2 | 118.0° | 120.0° |
| O3 | P1 | O5 | C7 | 4.8° | 65.1° |
| O3 | P1 | O2 | C6 | 60.9° | 65.0° |
| P1 | O5 | C7 | C12 | 63.8° | 90.3° |
| O5 | P1 | O2 | C6 | 59.1° | 175.0° |
| P1 | O5 | C7 | C8 | 117.5° | 90.0° |
| O5 | P1 | O3 | HO3 | 114.5° | 59.9° |
| O2 | P1 | O5 | C7 | 122.8° | 175.0° |
| P1 | O2 | C6 | C5 | 152.6° | 180.0° |
| P1 | O2 | C6 | H5 | 87.6° | 60.1° |
| P1 | O2 | C6 | H6 | 32.8° | 60.0° |
| O2 | P1 | O3 | HO3 | 134.1° | 60.1° |
| C15 | C11 | C12 | C7 | 179.7° | 179.1° |
| C15 | C11 | C12 | C10 | 178.4° | 178.7° |
| C15 | C11 | C10 | O6 | 3.0° | 2.3° |
| C15 | C11 | C10 | C9 | 179.1° | 177.7° |
| C11 | C15 | C14 | H11 | 55.3° | 61.6° |
| C11 | C15 | C14 | H12 | 178.6° | 169.9° |
| O5 | C7 | C12 | C8 | 178.8° | 179.8° |
| O5 | C7 | C12 | C11 | 178.3° | 177.0° |
| O5 | C7 | C8 | C9 | 178.6° | 178.7° |
| O5 | C7 | C8 | C33 | 2.1° | 2.3° |
| C7 | C12 | C11 | C10 | 1.2° | 2.2° |
| C12 | C7 | C8 | C9 | 0.2° | 1.5° |
| C12 | C7 | C8 | C33 | 179.1° | 177.4° |
| C7 | C12 | C13 | H10 | 16.5° | 17.7° |
| C11 | C12 | C7 | C8 | 0.5° | 3.2° |
| C12 | C11 | C10 | O6 | 179.3° | 179.3° |
| C12 | C11 | C10 | C9 | 3.1° | 0.6° |
| C11 | C12 | C13 | H10 | 162.5° | 160.7° |
| C12 | C11 | C15 | H13 | 162.8° | 163.5° |
| O2 | C6 | C5 | H5 | 119.8° | 120.0° |
| O2 | C6 | C5 | H6 | 119.8° | 120.0° |
| O2 | C6 | C5 | C4 | 73.3° | 180.0° |
| O2 | C6 | C5 | H3 | 46.6° | 60.0° |
| O2 | C6 | C5 | H4 | 166.7° | 60.0° |
| O2 | C6 | H5 | H6 | 120.6° | 120.0° |
| N1 | C3 | C4 | H2 | 180.0° | 180.0° |
| C3 | N1 | N3 | HN1 | 180.0° | 179.7° |
| N1 | C3 | C4 | C5 | 178.7° | 180.0° |
| N1 | C3 | C4 | N2 | 0.6° | 0.0° |
| C3 | N1 | N3 | N2 | 0.0° | 0.0° |
| C4 | C3 | N1 | N3 | 0.3° | 0.0° |
| C3 | C4 | C5 | C6 | 62.5° | 125.0° |
| C3 | C4 | C5 | N2 | 177.8° | 179.9° |
| C3 | C4 | N2 | N3 | 0.6° | 0.0° |
| C4 | C3 | N1 | HN1 | 179.7° | 179.7° |
| C3 | C4 | C5 | H3 | 57.5° | 115.0° |
| C3 | C4 | C5 | H4 | 177.6° | 5.0° |
| C7 | C8 | C9 | C33 | 179.5° | 179.2° |
| C7 | C8 | C9 | C10 | 1.9° | 1.3° |
| C7 | C8 | C9 | C31 | 179.2° | 177.9° |
| C7 | C8 | C33 | C34 | 115.9° | 115.1° |
| C7 | C8 | C33 | C32 | 142.7° | 142.5° |
| C7 | C8 | C33 | H27 | 18.5° | 15.3° |
| N1 | N3 | N2 | C4 | 0.4° | 0.0° |
| N3 | N1 | C3 | H2 | 179.7° | 180.0° |
| C44 | C45 | C46 | H35 | 180.0° | 179.9° |
| C45 | C44 | C43 | H34 | 180.0° | 179.9° |
| C44 | C45 | C46 | C47 | 0.0° | 0.0° |
| C45 | C44 | C43 | C48 | 0.9° | 0.2° |
| C45 | C44 | C43 | C42 | 178.2° | 179.7° |
| C44 | C45 | C46 | H36 | 180.0° | 180.0° |
| C46 | C45 | C44 | C43 | 0.3° | 0.1° |
| C45 | C46 | C47 | H36 | 180.0° | 180.0° |
| C45 | C46 | C47 | C48 | 0.0° | 0.1° |
| C46 | C45 | C44 | H34 | 179.7° | 180.0° |
| C45 | C46 | C47 | H37 | 179.9° | 179.9° |
| C11 | C10 | C9 | C8 | 3.5° | 2.4° |
| C11 | C10 | O6 | C9 | 175.8° | 180.0° |
| C11 | C10 | O6 | P2 | 92.0° | 90.0° |
| C11 | C10 | C9 | C31 | 179.5° | 176.6° |
| C10 | C11 | C15 | H13 | 19.2° | 15.0° |
| C44 | C43 | C48 | C47 | 1.1° | 0.2° |
| C44 | C43 | C48 | C42 | 177.6° | 179.9° |
| C44 | C43 | C48 | C40 | 178.4° | 180.0° |
| C44 | C43 | C42 | C36 | 109.9° | 112.9° |
| C44 | C43 | C42 | C41 | 148.6° | 144.6° |
| C44 | C43 | C42 | H33 | 20.0° | 17.5° |
| C43 | C44 | C45 | H35 | 179.7° | 180.0° |
| C46 | C47 | C48 | H37 | 180.0° | 179.9° |
| C46 | C47 | C48 | C43 | 0.7° | 0.1° |
| C46 | C47 | C48 | C40 | 178.7° | 179.9° |
| C47 | C46 | C45 | H35 | 179.9° | 180.0° |
| C6 | C5 | C4 | H3 | 120.0° | 120.0° |
| C6 | C5 | C4 | H4 | 120.0° | 120.0° |
| C6 | C5 | C4 | N2 | 115.4° | 54.9° |
| C6 | C5 | H3 | H4 | 120.0° | 120.0° |
| C5 | C6 | H5 | H6 | 120.6° | 120.0° |
| C5 | C4 | N2 | N3 | 178.8° | 180.0° |
| C5 | C4 | C3 | H2 | 1.3° | 0.0° |
| C4 | C5 | H3 | H4 | 120.1° | 120.0° |
| C4 | C5 | C6 | H5 | 166.9° | 60.1° |
| C4 | C5 | C6 | H6 | 46.4° | 60.0° |
| N2 | C4 | C3 | H2 | 179.4° | 180.0° |
| N2 | C4 | C5 | H3 | 124.7° | 65.0° |
| N2 | C4 | C5 | H4 | 4.6° | 175.0° |
| N2 | N3 | N1 | HN1 | 180.0° | 179.7° |
| C8 | C9 | C10 | O6 | 179.6° | 177.6° |
| C8 | C9 | C10 | C31 | 176.1° | 179.0° |
| C9 | C8 | C33 | C34 | 64.7° | 65.9° |
| C9 | C8 | C33 | C32 | 36.7° | 36.6° |
| C8 | C9 | C31 | C39 | 63.0° | 67.8° |
| C8 | C9 | C31 | C32 | 38.4° | 34.6° |
| C8 | C9 | C31 | H24 | 161.5° | 161.1° |
| C9 | C8 | C33 | H27 | 160.9° | 163.8° |
| C33 | C8 | C9 | C10 | 178.5° | 179.5° |
| C33 | C8 | C9 | C31 | 1.2° | 1.3° |
| C8 | C33 | C34 | C35 | 107.1° | 113.2° |
| C8 | C33 | C34 | C32 | 103.1° | 102.3° |
| C8 | C33 | C34 | H27 | 132.2° | 130.3° |
| C8 | C33 | C32 | H27 | 123.1° | 126.4° |
| C8 | C33 | C34 | C39 | 74.7° | 67.2° |
| C8 | C33 | C32 | C31 | 67.2° | 53.8° |
| C8 | C33 | C32 | H25 | 174.7° | 62.0° |
| C8 | C33 | C32 | H26 | 50.9° | 169.6° |
| C10 | O6 | P2 | O9 | 110.7° | 55.0° |
| O6 | C10 | C9 | C31 | 4.4° | 3.4° |
| C10 | O6 | P2 | O7 | 13.1° | 65.0° |
| C10 | O6 | P2 | O8 | 127.2° | 175.0° |
| C9 | C10 | O6 | P2 | 83.8° | 90.1° |
| C10 | C9 | C31 | C39 | 113.7° | 113.1° |
| C10 | C9 | C31 | C32 | 144.9° | 144.5° |
| C10 | C9 | C31 | H24 | 21.8° | 18.0° |
| C47 | C48 | C43 | C40 | 179.5° | 179.9° |
| C47 | C48 | C43 | C42 | 178.7° | 179.7° |
| C47 | C48 | C40 | C37 | 107.2° | 113.1° |
| C47 | C48 | C40 | C41 | 149.8° | 144.4° |
| C47 | C48 | C40 | H30 | 23.1° | 17.2° |
| C48 | C47 | C46 | H36 | 179.9° | 180.0° |
| C48 | C43 | C42 | C36 | 72.6° | 67.2° |
| C48 | C43 | C42 | C41 | 28.9° | 35.3° |
| C43 | C48 | C40 | C37 | 73.4° | 67.1° |
| C43 | C48 | C40 | C41 | 29.6° | 35.5° |
| C43 | C48 | C40 | H30 | 156.3° | 162.7° |
| C48 | C43 | C42 | H33 | 157.5° | 162.4° |
| C48 | C43 | C44 | H34 | 179.1° | 179.9° |
| C43 | C48 | C47 | H37 | 179.3° | 180.0° |
| C43 | C42 | C36 | C35 | 114.5° | 113.8° |
| C42 | C43 | C48 | C40 | 0.8° | 0.1° |
| C43 | C42 | C36 | C41 | 100.9° | 102.5° |
| C43 | C42 | C36 | H33 | 131.7° | 130.8° |
| C43 | C42 | C41 | H33 | 127.4° | 127.3° |
| C43 | C42 | C36 | C37 | 64.6° | 66.7° |
| C43 | C42 | C41 | C40 | 44.9° | 53.1° |
| C43 | C42 | C41 | H31 | 73.4° | 168.9° |
| C43 | C42 | C41 | H32 | 163.3° | 62.8° |
| C42 | C43 | C44 | H34 | 1.8° | 0.2° |
| O9 | P2 | O6 | O7 | 123.8° | 120.0° |
| O9 | P2 | O6 | O8 | 122.2° | 120.0° |
| O9 | P2 | O7 | O8 | 134.6° | 120.0° |
| O9 | P2 | O7 | HO7 | 0.0° | 180.0° |
| O9 | P2 | O8 | HO8 | 0.0° | 60.0° |
| O6 | P2 | O7 | O8 | 113.8° | 120.0° |
| O6 | P2 | O7 | HO7 | 111.6° | 60.0° |
| O6 | P2 | O8 | HO8 | 107.0° | 180.0° |
| C9 | C31 | C32 | C33 | 66.5° | 53.1° |
| C9 | C31 | C39 | C34 | 71.1° | 66.5° |
| C9 | C31 | C39 | C32 | 100.7° | 102.5° |
| C9 | C31 | C39 | H24 | 133.4° | 130.6° |
| C9 | C31 | C39 | C38 | 110.1° | 114.7° |
| C9 | C31 | C32 | H24 | 122.0° | 126.2° |
| C9 | C31 | C32 | H25 | 175.5° | 62.7° |
| C9 | C31 | C32 | H26 | 51.6° | 169.0° |
| C34 | C35 | C36 | H28 | 180.0° | 179.9° |
| C35 | C34 | C33 | C39 | 178.2° | 179.7° |
| C35 | C34 | C33 | C32 | 149.8° | 144.6° |
| C34 | C35 | C36 | C42 | 179.8° | 178.6° |
| C34 | C35 | C36 | C37 | 1.2° | 0.8° |
| C35 | C34 | C39 | C31 | 179.0° | 179.7° |
| C35 | C34 | C39 | C38 | 0.1° | 1.3° |
| C35 | C34 | C33 | H27 | 25.1° | 17.1° |
| C36 | C35 | C34 | C33 | 177.4° | 177.8° |
| C36 | C35 | C34 | C39 | 0.6° | 1.9° |
| C35 | C36 | C42 | C37 | 179.2° | 179.5° |
| C35 | C36 | C42 | C41 | 144.5° | 143.7° |
| C35 | C36 | C37 | C40 | 179.2° | 179.0° |
| C35 | C36 | C37 | C38 | 1.4° | 0.8° |
| C35 | C36 | C42 | H33 | 17.2° | 17.0° |
| C34 | C33 | C32 | H27 | 126.7° | 126.6° |
| C33 | C34 | C39 | C31 | 0.8° | 0.5° |
| C33 | C34 | C39 | C38 | 178.1° | 178.4° |
| C34 | C33 | C32 | C31 | 42.9° | 53.2° |
| C34 | C33 | C32 | H25 | 75.2° | 169.0° |
| C34 | C33 | C32 | H26 | 161.0° | 62.6° |
| C33 | C34 | C35 | H28 | 2.6° | 2.2° |
| C32 | C33 | C34 | C39 | 28.4° | 35.1° |
| C33 | C32 | C31 | C39 | 43.8° | 53.5° |
| C33 | C32 | C31 | H25 | 118.1° | 115.8° |
| C33 | C32 | C31 | H26 | 118.1° | 115.9° |
| C33 | C32 | C31 | H24 | 171.5° | 179.4° |
| C33 | C32 | H25 | H26 | 125.3° | 128.7° |
| C48 | C40 | C41 | C42 | 44.9° | 53.2° |
| C48 | C40 | C37 | C36 | 64.4° | 67.6° |
| C48 | C40 | C37 | C41 | 100.4° | 102.5° |
| C48 | C40 | C37 | H30 | 132.0° | 130.7° |
| C48 | C40 | C37 | C38 | 116.4° | 112.6° |
| C48 | C40 | C41 | H30 | 125.6° | 127.4° |
| C48 | C40 | C41 | H31 | 73.5° | 169.0° |
| C48 | C40 | C41 | H32 | 163.2° | 62.7° |
| C40 | C48 | C47 | H37 | 1.3° | 0.2° |
| C34 | C39 | C31 | C38 | 178.7° | 178.7° |
| C34 | C39 | C31 | C32 | 29.6° | 36.0° |
| C34 | C39 | C38 | C37 | 0.2° | 0.3° |
| C34 | C39 | C31 | H24 | 155.4° | 162.8° |
| C39 | C34 | C33 | H27 | 153.1° | 162.5° |
| C39 | C34 | C35 | H28 | 179.4° | 178.2° |
| C34 | C39 | C38 | H29 | 179.8° | 179.7° |
| C36 | C42 | C41 | H33 | 123.9° | 126.3° |
| C42 | C36 | C37 | C40 | 0.1° | 0.5° |
| C42 | C36 | C37 | C38 | 179.3° | 179.7° |
| C36 | C42 | C41 | C40 | 63.8° | 53.3° |
| C42 | C36 | C35 | H28 | 0.2° | 1.4° |
| C36 | C42 | C41 | H31 | 177.8° | 62.5° |
| C36 | C42 | C41 | H32 | 54.5° | 169.2° |
| C41 | C42 | C36 | C37 | 36.3° | 35.8° |
| C42 | C41 | C40 | C37 | 65.2° | 53.0° |
| C42 | C41 | C40 | H31 | 118.4° | 115.8° |
| C42 | C41 | C40 | H32 | 118.3° | 115.9° |
| C42 | C41 | C40 | H30 | 170.5° | 179.4° |
| C42 | C41 | H31 | H32 | 124.6° | 128.6° |
| C36 | C37 | C38 | C39 | 0.7° | 1.3° |
| C36 | C37 | C40 | C38 | 179.2° | 179.8° |
| C36 | C37 | C40 | C41 | 36.0° | 35.0° |
| C37 | C36 | C35 | H28 | 178.8° | 179.2° |
| C36 | C37 | C38 | H29 | 179.3° | 178.6° |
| C36 | C37 | C40 | H30 | 163.5° | 161.7° |
| C37 | C36 | C42 | H33 | 163.7° | 162.4° |
| O7 | P2 | O8 | HO8 | 134.0° | 60.0° |
| O8 | P2 | O7 | HO7 | 134.5° | 60.0° |
| C39 | C31 | C32 | H24 | 127.7° | 127.1° |
| C31 | C39 | C38 | C37 | 178.8° | 178.3° |
| C39 | C31 | C32 | H25 | 74.2° | 169.4° |
| C39 | C31 | C32 | H26 | 162.0° | 62.4° |
| C31 | C39 | C38 | H29 | 1.2° | 1.7° |
| C38 | C39 | C31 | C32 | 149.1° | 142.8° |
| C39 | C38 | C37 | C40 | 179.8° | 178.4° |
| C39 | C38 | C37 | H29 | 180.0° | 180.0° |
| C38 | C39 | C31 | H24 | 23.3° | 15.9° |
| C31 | C32 | H25 | H26 | 125.4° | 128.5° |
| C31 | C32 | C33 | H27 | 169.6° | 179.9° |
| C37 | C40 | C41 | H30 | 124.3° | 126.4° |
| C40 | C37 | C38 | H29 | 0.2° | 1.6° |
| C37 | C40 | C41 | H31 | 176.4° | 62.8° |
| C37 | C40 | C41 | H32 | 53.1° | 168.9° |
| C38 | C37 | C40 | C41 | 143.2° | 144.8° |
| C38 | C37 | C40 | H30 | 15.6° | 18.1° |
| C40 | C41 | H31 | H32 | 124.7° | 128.5° |
| C40 | C41 | C42 | H33 | 172.3° | 179.6° |
| HN1 | N1 | C3 | H2 | 0.3° | 0.3° |
| H3 | C5 | C6 | H5 | 73.2° | 179.9° |
| H3 | C5 | C6 | H6 | 166.4° | 60.0° |
| H4 | C5 | C6 | H5 | 46.9° | 60.0° |
| H4 | C5 | C6 | H6 | 73.6° | 179.9° |
| H10 | C13 | C14 | H11 | 72.2° | 63.3° |
| H10 | C13 | C14 | H12 | 51.1° | 65.1° |
| H11 | C14 | C15 | H13 | 70.3° | 64.2° |
| H12 | C14 | C15 | H13 | 53.0° | 64.4° |
| H16 | C22 | C23 | H17 | 69.7° | 64.0° |
| H16 | C22 | C23 | H18 | 53.6° | 64.3° |
| H17 | C23 | C24 | H19 | 71.8° | 64.8° |
| H18 | C23 | C24 | H19 | 51.4° | 63.7° |
| H20 | C26 | C27 | H21 | 1.3° | 0.0° |
| H21 | C27 | C28 | H22 | 0.5° | 0.1° |
| H22 | C28 | C29 | H23 | 0.5° | 0.0° |
| H24 | C31 | C32 | H25 | 53.4° | 63.5° |
| H24 | C31 | C32 | H26 | 70.4° | 64.7° |
| H25 | C32 | C33 | H27 | 51.5° | 64.3° |
| H26 | C32 | C33 | H27 | 72.2° | 64.1° |
| H30 | C40 | C41 | H31 | 52.1° | 63.6° |
| H30 | C40 | C41 | H32 | 71.2° | 64.7° |
| H31 | C41 | C42 | H33 | 54.0° | 63.8° |
| H32 | C41 | C42 | H33 | 69.3° | 64.5° |
| H34 | C44 | C45 | H35 | 0.3° | 0.0° |
| H35 | C45 | C46 | H36 | 0.1° | 0.0° |
| H36 | C46 | C47 | H37 | 0.1° | 0.1° |
