TWZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C24 | sing | 1.58Å | 1.54Å | |
| C23 | C22 | sing | 1.58Å | 1.54Å | |
| C24 | C25 | sing | 1.53Å | 1.50Å | |
| C24 | C18 | sing | 1.53Å | 1.51Å | |
| C22 | C30 | sing | 1.53Å | 1.50Å | |
| C22 | C19 | sing | 1.53Å | 1.50Å | |
| C25 | C26 | doub | 1.37Å | 1.37Å | Aromatic |
| C25 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C30 | C29 | doub | 1.37Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.36Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.37Å | 1.37Å | Aromatic |
| O8 | P2 | doub | 1.48Å | 1.48Å | |
| C21 | C13 | sing | 1.53Å | 1.49Å | |
| C15 | C14 | sing | 1.59Å | 1.54Å | |
| C15 | C11 | sing | 1.53Å | 1.50Å | |
| C14 | C13 | sing | 1.58Å | 1.55Å | |
| O9 | P2 | sing | 1.61Å | 1.48Å | |
| C13 | C12 | sing | 1.53Å | 1.50Å | |
| P2 | O7 | sing | 1.61Å | 1.48Å | |
| P2 | O6 | sing | 1.61Å | 1.58Å | |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| O6 | C10 | sing | 1.36Å | 1.41Å | |
| C12 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C46 | C45 | doub | 1.38Å | 1.38Å | Aromatic |
| C46 | C47 | sing | 1.39Å | 1.39Å | Aromatic |
| C45 | C44 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | O5 | sing | 1.36Å | 1.39Å | |
| C7 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| C47 | C48 | doub | 1.37Å | 1.37Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C31 | sing | 1.53Å | 1.50Å | |
| O3 | P1 | doub | 1.48Å | 1.47Å | |
| O5 | P1 | sing | 1.61Å | 1.60Å | |
| C8 | C33 | sing | 1.53Å | 1.49Å | |
| O4 | P1 | sing | 1.61Å | 1.47Å | |
| C44 | C43 | doub | 1.37Å | 1.37Å | Aromatic |
| P1 | O2 | sing | 1.61Å | 1.59Å | |
| C48 | C43 | sing | 1.39Å | 1.39Å | Aromatic |
| C48 | C40 | sing | 1.53Å | 1.50Å | |
| C31 | C39 | sing | 1.53Å | 1.50Å | |
| C31 | C32 | sing | 1.58Å | 1.55Å | |
| C43 | C42 | sing | 1.53Å | 1.50Å | |
| C38 | C39 | doub | 1.38Å | 1.37Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.37Å | Aromatic |
| C39 | C34 | sing | 1.39Å | 1.39Å | Aromatic |
| C37 | C40 | sing | 1.53Å | 1.50Å | |
| C37 | C36 | doub | 1.39Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.53Å | 1.51Å | |
| C33 | C32 | sing | 1.58Å | 1.54Å | |
| C40 | C41 | sing | 1.58Å | 1.55Å | |
| C34 | C35 | doub | 1.38Å | 1.37Å | Aromatic |
| O2 | C6 | sing | 1.43Å | 1.45Å | |
| C36 | C35 | sing | 1.38Å | 1.37Å | Aromatic |
| C36 | C42 | sing | 1.53Å | 1.50Å | |
| C42 | C41 | sing | 1.58Å | 1.54Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.51Å | 1.50Å | |
| C4 | C3 | doub | 1.35Å | 1.37Å | Aromatic |
| C4 | N2 | sing | 1.34Å | 1.36Å | Aromatic |
| C3 | N1 | sing | 1.35Å | 1.34Å | Aromatic |
| N2 | N3 | doub | 1.29Å | 1.31Å | Aromatic |
| N1 | N3 | sing | 1.29Å | 1.34Å | Aromatic |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| C2 | C1 | sing | 1.51Å | 1.54Å | |
| C1 | O1 | doub | 1.21Å | 1.19Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| O4 | H9 | sing | 0.97Å | 0.95Å | |
| O7 | H10 | sing | 0.97Å | 0.95Å | |
| O9 | H11 | sing | 0.97Å | 0.95Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | H23 | sing | 1.08Å | 1.08Å | |
| C28 | H24 | sing | 1.08Å | 1.08Å | |
| C29 | H25 | sing | 1.08Å | 1.08Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C35 | H30 | sing | 1.08Å | 1.08Å | |
| C38 | H31 | sing | 1.08Å | 1.08Å | |
| C40 | H32 | sing | 1.09Å | 1.10Å | |
| C41 | H33 | sing | 1.09Å | 1.10Å | |
| C41 | H34 | sing | 1.09Å | 1.10Å | |
| C42 | H35 | sing | 1.09Å | 1.10Å | |
| C44 | H36 | sing | 1.08Å | 1.08Å | |
| C45 | H37 | sing | 1.08Å | 1.08Å | |
| C46 | H38 | sing | 1.08Å | 1.08Å | |
| C47 | H39 | sing | 1.08Å | 1.08Å | |
| C1 | OXT | sing | 1.34Å | 1.32Å | |
| OXT | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | C22 | 93.4° | 92.4° |
| C23 | C24 | C25 | 98.8° | 99.6° |
| C23 | C24 | C18 | 99.3° | 99.6° |
| C24 | C23 | H19 | 113.3° | 112.7° |
| C24 | C23 | H20 | 113.3° | 112.7° |
| C23 | C24 | H21 | 116.2° | 117.0° |
| C23 | C22 | C30 | 98.7° | 99.7° |
| C23 | C22 | C19 | 99.3° | 99.7° |
| C23 | C22 | H18 | 116.2° | 117.6° |
| C22 | C23 | H19 | 113.3° | 112.7° |
| C22 | C23 | H20 | 113.3° | 112.7° |
| C25 | C24 | C18 | 105.8° | 104.0° |
| C24 | C25 | C26 | 132.6° | 132.9° |
| C24 | C25 | C30 | 106.4° | 106.9° |
| C25 | C24 | H21 | 117.0° | 116.6° |
| C24 | C18 | C17 | 132.9° | 132.8° |
| C24 | C18 | C19 | 106.4° | 106.8° |
| C18 | C24 | H21 | 116.9° | 117.2° |
| C30 | C22 | C19 | 105.7° | 104.0° |
| C22 | C30 | C25 | 106.7° | 106.8° |
| C22 | C30 | C29 | 132.5° | 133.0° |
| C30 | C22 | H18 | 117.0° | 116.5° |
| C22 | C19 | C18 | 106.9° | 106.8° |
| C22 | C19 | C20 | 132.9° | 132.8° |
| C19 | C22 | H18 | 117.0° | 116.6° |
| C26 | C25 | C30 | 121.0° | 120.2° |
| C25 | C26 | C27 | 118.0° | 119.6° |
| C25 | C26 | H22 | 121.0° | 120.2° |
| C25 | C30 | C29 | 120.9° | 120.3° |
| C17 | C18 | C19 | 120.7° | 120.4° |
| C18 | C17 | C16 | 119.4° | 119.2° |
| C18 | C17 | H16 | 120.3° | 120.4° |
| C18 | C19 | C20 | 120.2° | 120.4° |
| C26 | C27 | C28 | 121.2° | 120.1° |
| C27 | C26 | H22 | 121.0° | 120.2° |
| C26 | C27 | H23 | 119.4° | 120.0° |
| C30 | C29 | C28 | 118.1° | 119.6° |
| C30 | C29 | H25 | 121.0° | 120.2° |
| C17 | C16 | C21 | 119.3° | 120.4° |
| C17 | C16 | C15 | 133.3° | 132.5° |
| C16 | C17 | H16 | 120.3° | 120.4° |
| C19 | C20 | C21 | 119.0° | 119.6° |
| C19 | C20 | H17 | 120.5° | 120.4° |
| C27 | C28 | C29 | 120.9° | 120.1° |
| C28 | C27 | H23 | 119.4° | 119.9° |
| C27 | C28 | H24 | 119.5° | 119.9° |
| C29 | C28 | H24 | 119.5° | 119.9° |
| C28 | C29 | H25 | 120.9° | 120.2° |
| C21 | C16 | C15 | 107.4° | 107.0° |
| C16 | C21 | C20 | 121.5° | 119.9° |
| C16 | C21 | C13 | 105.8° | 106.2° |
| C16 | C15 | C14 | 98.1° | 99.5° |
| C16 | C15 | C11 | 107.2° | 104.8° |
| C16 | C15 | H15 | 116.7° | 117.2° |
| C20 | C21 | C13 | 132.7° | 133.9° |
| C21 | C20 | H17 | 120.5° | 119.9° |
| O8 | P2 | O9 | 109.1° | 109.5° |
| O8 | P2 | O7 | 110.7° | 109.5° |
| O8 | P2 | O6 | 109.5° | 109.5° |
| C21 | C13 | C14 | 99.4° | 100.4° |
| C21 | C13 | C12 | 106.9° | 104.3° |
| C21 | C13 | H12 | 116.8° | 116.5° |
| C14 | C15 | C11 | 98.5° | 99.2° |
| C15 | C14 | C13 | 93.2° | 92.1° |
| C15 | C14 | H13 | 113.4° | 112.6° |
| C15 | C14 | H14 | 113.4° | 113.2° |
| C14 | C15 | H15 | 116.2° | 116.9° |
| C15 | C11 | C12 | 105.9° | 106.8° |
| C15 | C11 | C10 | 133.4° | 132.8° |
| C11 | C15 | H15 | 117.1° | 116.3° |
| C14 | C13 | C12 | 98.7° | 99.5° |
| C14 | C13 | H12 | 115.8° | 116.9° |
| C13 | C14 | H13 | 113.4° | 112.7° |
| C13 | C14 | H14 | 113.4° | 112.7° |
| O9 | P2 | O7 | 110.4° | 109.5° |
| O9 | P2 | O6 | 112.0° | 109.5° |
| P2 | O9 | H11 | 109.5° | 114.1° |
| C13 | C12 | C11 | 107.2° | 106.9° |
| C13 | C12 | C7 | 132.2° | 132.8° |
| C12 | C13 | H12 | 116.6° | 116.5° |
| O7 | P2 | O6 | 105.2° | 109.4° |
| P2 | O7 | H10 | 109.5° | 114.0° |
| P2 | O6 | C10 | 126.7° | 114.0° |
| C12 | C11 | C10 | 120.7° | 120.4° |
| C11 | C12 | C7 | 120.5° | 120.3° |
| C11 | C10 | O6 | 122.8° | 120.4° |
| C11 | C10 | C9 | 118.4° | 119.3° |
| O6 | C10 | C9 | 118.8° | 120.4° |
| C12 | C7 | O5 | 121.5° | 120.3° |
| C12 | C7 | C8 | 119.1° | 119.3° |
| C10 | C9 | C8 | 120.6° | 120.4° |
| C10 | C9 | C31 | 132.9° | 132.8° |
| C45 | C46 | C47 | 120.8° | 120.1° |
| C46 | C45 | C44 | 120.9° | 120.2° |
| C46 | C45 | H37 | 119.6° | 119.9° |
| C45 | C46 | H38 | 119.6° | 120.0° |
| C46 | C47 | C48 | 118.2° | 119.7° |
| C47 | C46 | H38 | 119.6° | 120.0° |
| C46 | C47 | H39 | 120.9° | 120.1° |
| C45 | C44 | C43 | 118.3° | 119.6° |
| C45 | C44 | H36 | 120.8° | 120.2° |
| C44 | C45 | H37 | 119.5° | 119.9° |
| O5 | C7 | C8 | 119.4° | 120.3° |
| C7 | O5 | P1 | 122.7° | 114.0° |
| C7 | C8 | C9 | 120.7° | 120.3° |
| C7 | C8 | C33 | 132.3° | 132.9° |
| C47 | C48 | C43 | 121.0° | 120.2° |
| C47 | C48 | C40 | 132.5° | 133.0° |
| C48 | C47 | H39 | 120.9° | 120.2° |
| C8 | C9 | C31 | 106.4° | 106.8° |
| C9 | C8 | C33 | 107.0° | 106.8° |
| C9 | C31 | C39 | 106.7° | 104.4° |
| C9 | C31 | C32 | 98.6° | 99.5° |
| C9 | C31 | H26 | 116.9° | 116.5° |
| O3 | P1 | O5 | 109.5° | 109.5° |
| O3 | P1 | O4 | 117.6° | 109.5° |
| O3 | P1 | O2 | 107.7° | 109.5° |
| O5 | P1 | O4 | 108.2° | 109.4° |
| O5 | P1 | O2 | 106.1° | 109.5° |
| C8 | C33 | C34 | 106.6° | 104.4° |
| C8 | C33 | C32 | 98.2° | 99.5° |
| C8 | C33 | H29 | 117.2° | 116.5° |
| O4 | P1 | O2 | 107.2° | 109.5° |
| P1 | O4 | H9 | 109.5° | 114.0° |
| C44 | C43 | C48 | 120.8° | 120.2° |
| C44 | C43 | C42 | 132.5° | 132.9° |
| C43 | C44 | H36 | 120.8° | 120.2° |
| P1 | O2 | C6 | 121.2° | 123.0° |
| C43 | C48 | C40 | 106.5° | 106.8° |
| C48 | C43 | C42 | 106.7° | 106.8° |
| C48 | C40 | C37 | 106.1° | 104.2° |
| C48 | C40 | C41 | 98.7° | 99.6° |
| C48 | C40 | H32 | 117.0° | 117.2° |
| C39 | C31 | C32 | 98.8° | 99.6° |
| C31 | C39 | C38 | 132.6° | 132.8° |
| C31 | C39 | C34 | 106.6° | 106.8° |
| C39 | C31 | H26 | 117.0° | 116.5° |
| C31 | C32 | C33 | 93.5° | 92.3° |
| C32 | C31 | H26 | 116.0° | 117.6° |
| C31 | C32 | H27 | 113.3° | 112.7° |
| C31 | C32 | H28 | 113.3° | 112.7° |
| C43 | C42 | C36 | 106.0° | 104.1° |
| C43 | C42 | C41 | 98.4° | 99.6° |
| C43 | C42 | H35 | 116.9° | 117.2° |
| C39 | C38 | C37 | 119.0° | 119.2° |
| C38 | C39 | C34 | 120.8° | 120.4° |
| C39 | C38 | H31 | 120.5° | 120.4° |
| C38 | C37 | C40 | 132.8° | 132.8° |
| C38 | C37 | C36 | 120.3° | 120.4° |
| C37 | C38 | H31 | 120.5° | 120.4° |
| C39 | C34 | C33 | 106.7° | 106.8° |
| C39 | C34 | C35 | 120.1° | 120.4° |
| C40 | C37 | C36 | 106.8° | 106.9° |
| C37 | C40 | C41 | 99.4° | 99.6° |
| C37 | C40 | H32 | 116.8° | 116.6° |
| C37 | C36 | C35 | 120.5° | 120.4° |
| C37 | C36 | C42 | 106.3° | 106.8° |
| C34 | C33 | C32 | 98.7° | 99.5° |
| C33 | C34 | C35 | 133.1° | 132.8° |
| C34 | C33 | H29 | 116.9° | 116.5° |
| C33 | C32 | H27 | 113.3° | 112.7° |
| C33 | C32 | H28 | 113.3° | 112.8° |
| C32 | C33 | H29 | 116.3° | 117.6° |
| C40 | C41 | C42 | 93.2° | 92.4° |
| C41 | C40 | H32 | 116.1° | 116.9° |
| C40 | C41 | H33 | 113.4° | 112.7° |
| C40 | C41 | H34 | 113.4° | 112.7° |
| C34 | C35 | C36 | 119.3° | 119.2° |
| C34 | C35 | H30 | 120.4° | 120.4° |
| O2 | C6 | C5 | 113.0° | 109.4° |
| O2 | C6 | H7 | 108.6° | 109.5° |
| O2 | C6 | H8 | 108.6° | 109.5° |
| C35 | C36 | C42 | 133.2° | 132.8° |
| C36 | C35 | H30 | 120.3° | 120.4° |
| C36 | C42 | C41 | 99.6° | 99.6° |
| C36 | C42 | H35 | 116.9° | 116.5° |
| C42 | C41 | H33 | 113.4° | 112.6° |
| C42 | C41 | H34 | 113.4° | 112.8° |
| C41 | C42 | H35 | 116.2° | 117.0° |
| C6 | C5 | C4 | 116.6° | 109.5° |
| C6 | C5 | H5 | 107.7° | 109.5° |
| C6 | C5 | H6 | 107.7° | 109.5° |
| C5 | C6 | H7 | 108.6° | 109.5° |
| C5 | C6 | H8 | 108.6° | 109.5° |
| C5 | C4 | C3 | 130.8° | 126.7° |
| C5 | C4 | N2 | 121.5° | 126.8° |
| C4 | C5 | H5 | 107.7° | 109.4° |
| C4 | C5 | H6 | 107.6° | 109.5° |
| C3 | C4 | N2 | 107.6° | 106.5° |
| C4 | C3 | N1 | 105.5° | 106.1° |
| C4 | C3 | H4 | 127.2° | 127.0° |
| C4 | N2 | N3 | 109.1° | 108.9° |
| C3 | N1 | N3 | 110.4° | 108.3° |
| C3 | N1 | C2 | 129.0° | 125.8° |
| N1 | C3 | H4 | 127.3° | 126.9° |
| N2 | N3 | N1 | 107.3° | 110.2° |
| N3 | N1 | C2 | 120.4° | 125.9° |
| N1 | C2 | C1 | 114.7° | 109.4° |
| N1 | C2 | H2 | 108.2° | 109.5° |
| N1 | C2 | H3 | 108.1° | 109.5° |
| C2 | C1 | O1 | 123.7° | 120.0° |
| C1 | C2 | H2 | 108.1° | 109.4° |
| C1 | C2 | H3 | 108.1° | 109.5° |
| C2 | C1 | OXT | 119.7° | 120.0° |
| O1 | C1 | OXT | 115.5° | 120.0° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H5 | C5 | H6 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 112.2° |
| H19 | C23 | H20 | 109.5° | 112.3° |
| H27 | C32 | H28 | 109.5° | 112.2° |
| H33 | C41 | H34 | 109.5° | 112.2° |
| C1 | OXT | H1 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | C22 | H19 | 117.2° | 115.8° |
| C24 | C23 | C22 | H20 | 117.2° | 115.8° |
| C23 | C24 | C25 | C18 | 102.3° | 102.5° |
| C23 | C24 | C25 | H21 | 125.5° | 126.8° |
| C23 | C24 | C18 | H21 | 125.8° | 127.2° |
| C24 | C23 | C22 | C30 | 54.1° | 53.1° |
| C24 | C23 | C22 | C19 | 53.5° | 53.1° |
| C23 | C24 | C25 | C26 | 146.1° | 144.7° |
| C23 | C24 | C25 | C30 | 35.9° | 35.2° |
| C23 | C24 | C18 | C17 | 145.6° | 144.5° |
| C23 | C24 | C18 | C19 | 34.8° | 35.5° |
| C24 | C23 | C22 | H18 | 179.9° | 180.0° |
| C24 | C23 | H19 | H20 | 127.6° | 128.5° |
| C22 | C23 | C24 | C25 | 54.5° | 53.0° |
| C22 | C23 | C24 | C18 | 53.2° | 53.1° |
| C23 | C22 | C30 | C19 | 102.3° | 102.6° |
| C23 | C22 | C30 | H18 | 125.4° | 127.6° |
| C23 | C22 | C19 | H18 | 125.8° | 127.7° |
| C23 | C22 | C30 | C25 | 35.2° | 35.4° |
| C23 | C22 | C19 | C18 | 35.3° | 35.2° |
| C23 | C22 | C30 | C29 | 145.3° | 144.8° |
| C23 | C22 | C19 | C20 | 145.5° | 144.8° |
| C22 | C23 | H19 | H20 | 127.6° | 128.6° |
| C22 | C23 | C24 | H21 | 179.4° | 179.6° |
| C25 | C24 | C18 | H21 | 132.3° | 130.3° |
| C24 | C25 | C30 | C22 | 0.5° | 0.1° |
| C24 | C25 | C26 | C30 | 177.7° | 180.0° |
| C25 | C24 | C18 | C17 | 112.5° | 113.0° |
| C25 | C24 | C18 | C19 | 67.1° | 67.1° |
| C24 | C25 | C26 | C27 | 178.5° | 180.0° |
| C24 | C25 | C30 | C29 | 179.2° | 179.9° |
| C25 | C24 | C23 | H19 | 171.8° | 62.8° |
| C25 | C24 | C23 | H20 | 62.7° | 168.9° |
| C24 | C25 | C26 | H22 | 1.4° | 0.0° |
| C24 | C18 | C19 | C22 | 0.3° | 0.2° |
| C18 | C24 | C25 | C26 | 111.6° | 112.8° |
| C18 | C24 | C25 | C30 | 66.4° | 67.2° |
| C24 | C18 | C17 | C19 | 179.6° | 180.0° |
| C24 | C18 | C17 | C16 | 179.4° | 180.0° |
| C24 | C18 | C19 | C20 | 179.6° | 179.8° |
| C24 | C18 | C17 | H16 | 0.6° | 0.0° |
| C18 | C24 | C23 | H19 | 64.0° | 169.0° |
| C18 | C24 | C23 | H20 | 170.4° | 62.7° |
| C30 | C22 | C19 | H18 | 132.3° | 129.7° |
| C22 | C30 | C25 | C26 | 178.7° | 179.9° |
| C22 | C30 | C25 | C29 | 179.6° | 179.9° |
| C30 | C22 | C19 | C18 | 66.6° | 67.4° |
| C30 | C22 | C19 | C20 | 112.6° | 112.6° |
| C22 | C30 | C29 | C28 | 179.1° | 179.9° |
| C30 | C22 | C23 | H19 | 171.3° | 62.7° |
| C30 | C22 | C23 | H20 | 63.1° | 168.9° |
| C22 | C30 | C29 | H25 | 0.9° | 0.1° |
| C19 | C22 | C30 | C25 | 67.2° | 67.2° |
| C22 | C19 | C18 | C17 | 179.4° | 179.8° |
| C22 | C19 | C18 | C20 | 179.3° | 180.0° |
| C19 | C22 | C30 | C29 | 112.4° | 112.6° |
| C22 | C19 | C20 | C21 | 179.2° | 179.8° |
| C22 | C19 | C20 | H17 | 0.8° | 0.2° |
| C19 | C22 | C23 | H19 | 63.8° | 168.9° |
| C19 | C22 | C23 | H20 | 170.7° | 62.8° |
| C25 | C26 | C27 | H22 | 180.0° | 180.0° |
| C26 | C25 | C30 | C29 | 0.9° | 0.1° |
| C25 | C26 | C27 | C28 | 0.3° | 0.0° |
| C26 | C25 | C24 | H21 | 20.6° | 17.9° |
| C25 | C26 | C27 | H23 | 179.7° | 180.0° |
| C30 | C25 | C26 | C27 | 0.8° | 0.0° |
| C25 | C30 | C29 | C28 | 0.5° | 0.1° |
| C25 | C30 | C22 | H18 | 160.6° | 163.0° |
| C30 | C25 | C24 | H21 | 161.4° | 162.1° |
| C30 | C25 | C26 | H22 | 179.2° | 179.9° |
| C25 | C30 | C29 | H25 | 179.6° | 179.9° |
| C18 | C17 | C16 | H16 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.2° |
| C18 | C17 | C16 | C21 | 0.3° | 0.1° |
| C18 | C17 | C16 | C15 | 178.9° | 179.2° |
| C17 | C18 | C24 | H21 | 19.8° | 17.3° |
| C19 | C18 | C17 | C16 | 0.2° | 0.0° |
| C18 | C19 | C20 | C21 | 0.1° | 0.2° |
| C19 | C18 | C17 | H16 | 179.8° | 180.0° |
| C18 | C19 | C20 | H17 | 179.9° | 179.8° |
| C18 | C19 | C22 | H18 | 161.2° | 162.9° |
| C19 | C18 | C24 | H21 | 160.6° | 162.6° |
| C26 | C27 | C28 | H23 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.1° | 0.0° |
| C26 | C27 | C28 | H24 | 179.9° | 180.0° |
| C30 | C29 | C28 | C27 | 0.0° | 0.0° |
| C30 | C29 | C28 | H25 | 180.0° | 180.0° |
| C29 | C30 | C22 | H18 | 19.9° | 17.1° |
| C30 | C29 | C28 | H24 | 180.0° | 179.9° |
| C17 | C16 | C21 | C15 | 178.9° | 179.2° |
| C17 | C16 | C21 | C20 | 0.4° | 0.1° |
| C17 | C16 | C21 | C13 | 179.4° | 180.0° |
| C17 | C16 | C15 | C14 | 144.5° | 145.0° |
| C17 | C16 | C15 | C11 | 114.0° | 112.8° |
| C17 | C16 | C15 | H15 | 19.7° | 17.9° |
| C19 | C20 | C21 | C16 | 0.3° | 0.0° |
| C19 | C20 | C21 | H17 | 180.0° | 180.0° |
| C19 | C20 | C21 | C13 | 179.0° | 179.8° |
| C20 | C19 | C22 | H18 | 19.6° | 17.1° |
| C27 | C28 | C29 | H24 | 180.0° | 179.9° |
| C28 | C27 | C26 | H22 | 179.7° | 180.0° |
| C27 | C28 | C29 | H25 | 180.0° | 180.0° |
| C29 | C28 | C27 | H23 | 179.9° | 180.0° |
| C16 | C21 | C20 | C13 | 178.6° | 179.9° |
| C21 | C16 | C15 | C14 | 34.2° | 35.9° |
| C21 | C16 | C15 | C11 | 67.4° | 66.3° |
| C16 | C21 | C13 | C14 | 37.1° | 35.0° |
| C16 | C21 | C13 | C12 | 65.1° | 67.8° |
| C16 | C21 | C13 | H12 | 162.3° | 162.3° |
| C21 | C16 | C15 | H15 | 159.0° | 162.9° |
| C21 | C16 | C17 | H16 | 179.7° | 179.9° |
| C16 | C21 | C20 | H17 | 179.7° | 180.0° |
| C15 | C16 | C21 | C20 | 179.3° | 179.4° |
| C15 | C16 | C21 | C13 | 1.7° | 0.7° |
| C16 | C15 | C14 | C11 | 108.8° | 106.9° |
| C16 | C15 | C14 | H15 | 125.2° | 127.3° |
| C16 | C15 | C11 | H15 | 133.4° | 131.2° |
| C16 | C15 | C14 | C13 | 53.2° | 53.1° |
| C16 | C15 | C11 | C12 | 62.9° | 66.4° |
| C16 | C15 | C11 | C10 | 114.9° | 113.3° |
| C16 | C15 | C14 | H13 | 170.4° | 62.5° |
| C16 | C15 | C14 | H14 | 63.9° | 168.9° |
| C15 | C16 | C17 | H16 | 1.1° | 0.9° |
| C20 | C21 | C13 | C14 | 144.1° | 144.9° |
| C20 | C21 | C13 | C12 | 113.7° | 112.4° |
| C20 | C21 | C13 | H12 | 18.9° | 17.6° |
| O8 | P2 | O9 | O7 | 121.9° | 120.0° |
| O8 | P2 | O9 | O6 | 121.3° | 120.0° |
| O8 | P2 | O7 | O6 | 118.1° | 120.0° |
| O8 | P2 | O6 | C10 | 110.7° | 55.0° |
| O8 | P2 | O7 | H10 | 0.0° | 60.0° |
| O8 | P2 | O9 | H11 | 0.0° | 180.0° |
| C21 | C13 | C14 | C15 | 55.5° | 53.1° |
| C21 | C13 | C14 | C12 | 108.8° | 106.6° |
| C21 | C13 | C14 | H12 | 126.0° | 127.1° |
| C21 | C13 | C12 | H12 | 132.8° | 130.0° |
| C21 | C13 | C12 | C11 | 69.5° | 68.1° |
| C21 | C13 | C12 | C7 | 113.6° | 113.2° |
| C21 | C13 | C14 | H13 | 172.6° | 62.4° |
| C21 | C13 | C14 | H14 | 61.7° | 169.3° |
| C13 | C21 | C20 | H17 | 1.0° | 0.2° |
| C14 | C15 | C11 | H15 | 125.4° | 126.3° |
| C15 | C14 | C13 | H13 | 117.2° | 115.6° |
| C15 | C14 | C13 | H14 | 117.2° | 116.2° |
| C15 | C14 | C13 | C12 | 53.4° | 53.5° |
| C14 | C15 | C11 | C12 | 38.3° | 36.1° |
| C14 | C15 | C11 | C10 | 143.9° | 144.2° |
| C15 | C14 | C13 | H12 | 178.6° | 179.8° |
| C15 | C14 | H13 | H14 | 127.7° | 129.0° |
| C11 | C15 | C14 | C13 | 55.6° | 53.7° |
| C15 | C11 | C12 | C13 | 3.2° | 0.6° |
| C15 | C11 | C12 | C10 | 178.2° | 179.8° |
| C15 | C11 | C10 | O6 | 2.6° | 0.7° |
| C15 | C11 | C12 | C7 | 179.5° | 179.5° |
| C15 | C11 | C10 | C9 | 178.4° | 179.3° |
| C11 | C15 | C14 | H13 | 61.6° | 169.4° |
| C11 | C15 | C14 | H14 | 172.8° | 62.1° |
| C14 | C13 | C12 | H12 | 124.6° | 126.6° |
| C14 | C13 | C12 | C11 | 33.1° | 35.4° |
| C14 | C13 | C12 | C7 | 143.8° | 143.4° |
| C13 | C14 | H13 | H14 | 127.7° | 128.5° |
| C13 | C14 | C15 | H15 | 178.4° | 179.6° |
| O9 | P2 | O7 | O6 | 121.0° | 120.0° |
| O9 | P2 | O6 | C10 | 10.3° | 65.0° |
| O9 | P2 | O7 | H10 | 120.9° | 60.0° |
| C13 | C12 | C11 | C7 | 177.3° | 178.9° |
| C13 | C12 | C11 | C10 | 178.6° | 179.6° |
| C13 | C12 | C7 | O5 | 3.6° | 1.7° |
| C13 | C12 | C7 | C8 | 177.5° | 178.5° |
| C12 | C13 | C14 | H13 | 63.8° | 169.0° |
| C12 | C13 | C14 | H14 | 170.6° | 62.7° |
| O7 | P2 | O6 | C10 | 130.3° | 175.0° |
| O7 | P2 | O9 | H11 | 121.8° | 59.9° |
| P2 | O6 | C10 | C11 | 71.7° | 90.0° |
| P2 | O6 | C10 | C9 | 109.3° | 90.0° |
| O6 | P2 | O7 | H10 | 118.1° | 180.0° |
| O6 | P2 | O9 | H11 | 121.3° | 60.0° |
| C12 | C11 | C10 | O6 | 179.8° | 179.0° |
| C12 | C11 | C10 | C9 | 0.8° | 0.9° |
| C11 | C12 | C7 | O5 | 179.9° | 179.7° |
| C11 | C12 | C7 | C8 | 1.0° | 0.1° |
| C11 | C12 | C13 | H12 | 157.7° | 162.0° |
| C12 | C11 | C15 | H15 | 163.7° | 162.4° |
| C11 | C10 | O6 | C9 | 179.0° | 180.0° |
| C10 | C11 | C12 | C7 | 1.4° | 0.7° |
| C11 | C10 | C9 | C8 | 0.1° | 0.4° |
| C11 | C10 | C9 | C31 | 179.4° | 179.0° |
| C10 | C11 | C15 | H15 | 18.5° | 17.9° |
| O6 | C10 | C9 | C8 | 179.0° | 179.5° |
| O6 | C10 | C9 | C31 | 0.3° | 1.1° |
| C12 | C7 | O5 | C8 | 178.9° | 179.8° |
| C12 | C7 | C8 | C9 | 0.1° | 0.6° |
| C12 | C7 | O5 | P1 | 89.3° | 90.2° |
| C12 | C7 | C8 | C33 | 178.2° | 179.3° |
| C7 | C12 | C13 | H12 | 19.1° | 16.8° |
| C10 | C9 | C8 | C7 | 0.4° | 0.3° |
| C10 | C9 | C8 | C31 | 179.5° | 179.5° |
| C10 | C9 | C8 | C33 | 179.1° | 179.6° |
| C10 | C9 | C31 | C39 | 113.1° | 113.4° |
| C10 | C9 | C31 | C32 | 144.9° | 144.0° |
| C10 | C9 | C31 | H26 | 20.0° | 16.5° |
| C45 | C46 | C47 | H38 | 180.0° | 179.9° |
| C46 | C45 | C44 | H37 | 180.0° | 180.0° |
| C45 | C46 | C47 | C48 | 0.3° | 0.0° |
| C46 | C45 | C44 | C43 | 0.2° | 0.1° |
| C46 | C45 | C44 | H36 | 179.8° | 180.0° |
| C45 | C46 | C47 | H39 | 179.7° | 179.9° |
| C47 | C46 | C45 | C44 | 0.6° | 0.0° |
| C46 | C47 | C48 | H39 | 180.0° | 180.0° |
| C46 | C47 | C48 | C43 | 0.4° | 0.1° |
| C46 | C47 | C48 | C40 | 179.9° | 180.0° |
| C47 | C46 | C45 | H37 | 179.3° | 180.0° |
| C45 | C44 | C43 | H36 | 180.0° | 180.0° |
| C45 | C44 | C43 | C48 | 0.5° | 0.0° |
| C45 | C44 | C43 | C42 | 179.4° | 180.0° |
| C44 | C45 | C46 | H38 | 179.4° | 179.9° |
| O5 | C7 | C8 | C9 | 179.1° | 179.2° |
| C7 | O5 | P1 | O3 | 129.3° | 55.0° |
| O5 | C7 | C8 | C33 | 0.7° | 0.9° |
| C7 | O5 | P1 | O4 | 0.0° | 65.0° |
| C7 | O5 | P1 | O2 | 114.8° | 175.0° |
| C7 | C8 | C9 | C33 | 178.7° | 179.9° |
| C7 | C8 | C9 | C31 | 179.9° | 179.8° |
| C8 | C7 | O5 | P1 | 91.8° | 90.0° |
| C7 | C8 | C33 | C34 | 113.6° | 113.1° |
| C7 | C8 | C33 | C32 | 144.7° | 144.4° |
| C7 | C8 | C33 | H29 | 19.5° | 16.9° |
| C47 | C48 | C43 | C44 | 0.8° | 0.0° |
| C47 | C48 | C43 | C40 | 179.6° | 179.9° |
| C47 | C48 | C43 | C42 | 180.0° | 179.9° |
| C47 | C48 | C40 | C37 | 113.2° | 112.9° |
| C47 | C48 | C40 | C41 | 144.3° | 144.6° |
| C47 | C48 | C40 | H32 | 19.1° | 17.5° |
| C48 | C47 | C46 | H38 | 179.7° | 180.0° |
| C8 | C9 | C31 | C39 | 67.5° | 67.1° |
| C8 | C9 | C31 | C32 | 34.5° | 35.4° |
| C9 | C8 | C33 | C34 | 64.9° | 67.0° |
| C9 | C8 | C33 | C32 | 36.8° | 35.5° |
| C8 | C9 | C31 | H26 | 159.4° | 163.0° |
| C9 | C8 | C33 | H29 | 162.0° | 163.0° |
| C31 | C9 | C8 | C33 | 1.4° | 0.0° |
| C9 | C31 | C39 | C32 | 101.8° | 102.5° |
| C9 | C31 | C39 | H26 | 133.0° | 129.9° |
| C9 | C31 | C32 | H26 | 125.6° | 126.8° |
| C9 | C31 | C39 | C38 | 113.1° | 112.9° |
| C9 | C31 | C39 | C34 | 65.6° | 67.2° |
| C9 | C31 | C32 | C33 | 54.1° | 53.3° |
| C9 | C31 | C32 | H27 | 171.3° | 169.1° |
| C9 | C31 | C32 | H28 | 63.2° | 62.7° |
| O3 | P1 | O5 | O4 | 129.3° | 120.0° |
| O3 | P1 | O5 | O2 | 115.9° | 120.0° |
| O3 | P1 | O4 | O2 | 121.3° | 120.0° |
| O3 | P1 | O2 | C6 | 80.3° | 55.0° |
| O3 | P1 | O4 | H9 | 0.0° | 180.0° |
| O5 | P1 | O4 | O2 | 114.1° | 120.0° |
| O5 | P1 | O2 | C6 | 36.9° | 175.0° |
| O5 | P1 | O4 | H9 | 124.6° | 60.0° |
| C8 | C33 | C32 | C31 | 54.8° | 53.3° |
| C8 | C33 | C34 | C39 | 66.8° | 66.9° |
| C8 | C33 | C34 | C32 | 101.3° | 102.5° |
| C8 | C33 | C34 | H29 | 133.2° | 130.0° |
| C8 | C33 | C32 | H29 | 125.9° | 126.7° |
| C8 | C33 | C34 | C35 | 114.1° | 113.4° |
| C8 | C33 | C32 | H27 | 172.0° | 169.1° |
| C8 | C33 | C32 | H28 | 62.4° | 62.5° |
| O4 | P1 | O2 | C6 | 152.3° | 65.0° |
| C44 | C43 | C48 | C42 | 179.1° | 179.9° |
| C44 | C43 | C48 | C40 | 179.6° | 180.0° |
| C44 | C43 | C42 | C36 | 113.9° | 112.9° |
| C44 | C43 | C42 | C41 | 143.6° | 144.6° |
| C44 | C43 | C42 | H35 | 18.5° | 17.4° |
| C43 | C44 | C45 | H37 | 179.8° | 180.0° |
| P1 | O2 | C6 | C5 | 123.5° | 180.0° |
| P1 | O2 | C6 | H7 | 115.9° | 60.0° |
| P1 | O2 | C6 | H8 | 3.0° | 60.0° |
| O2 | P1 | O4 | H9 | 121.3° | 60.0° |
| C43 | C48 | C40 | C37 | 66.3° | 67.1° |
| C43 | C48 | C40 | C41 | 36.1° | 35.4° |
| C48 | C43 | C42 | C36 | 67.1° | 67.2° |
| C48 | C43 | C42 | C41 | 35.4° | 35.3° |
| C43 | C48 | C40 | H32 | 161.4° | 162.4° |
| C48 | C43 | C42 | H35 | 160.5° | 162.5° |
| C48 | C43 | C44 | H36 | 179.5° | 180.0° |
| C43 | C48 | C47 | H39 | 179.6° | 179.9° |
| C40 | C48 | C43 | C42 | 0.5° | 0.0° |
| C48 | C40 | C37 | C38 | 112.2° | 113.1° |
| C48 | C40 | C37 | C41 | 101.9° | 102.5° |
| C48 | C40 | C37 | H32 | 132.5° | 130.8° |
| C48 | C40 | C37 | C36 | 67.3° | 67.0° |
| C48 | C40 | C41 | H32 | 125.9° | 127.2° |
| C48 | C40 | C41 | C42 | 54.9° | 53.1° |
| C48 | C40 | C41 | H33 | 62.3° | 62.7° |
| C48 | C40 | C41 | H34 | 172.1° | 169.1° |
| C40 | C48 | C47 | H39 | 0.1° | 0.0° |
| C39 | C31 | C32 | H26 | 125.9° | 126.8° |
| C31 | C39 | C38 | C34 | 178.6° | 179.9° |
| C31 | C39 | C38 | C37 | 179.7° | 179.3° |
| C31 | C39 | C34 | C33 | 1.1° | 0.2° |
| C39 | C31 | C32 | C33 | 54.4° | 53.2° |
| C31 | C39 | C34 | C35 | 179.7° | 179.6° |
| C39 | C31 | C32 | H27 | 62.8° | 62.6° |
| C39 | C31 | C32 | H28 | 171.7° | 169.1° |
| C31 | C39 | C38 | H31 | 0.3° | 0.6° |
| C32 | C31 | C39 | C38 | 145.1° | 144.6° |
| C32 | C31 | C39 | C34 | 36.2° | 35.3° |
| C31 | C32 | C33 | C34 | 53.5° | 53.2° |
| C31 | C32 | C33 | H27 | 117.2° | 115.8° |
| C31 | C32 | C33 | H28 | 117.2° | 115.8° |
| C31 | C32 | H27 | H28 | 127.5° | 128.5° |
| C31 | C32 | C33 | H29 | 179.3° | 180.0° |
| C43 | C42 | C36 | C37 | 66.2° | 67.3° |
| C43 | C42 | C41 | C40 | 54.3° | 53.1° |
| C43 | C42 | C36 | C35 | 112.4° | 112.7° |
| C43 | C42 | C36 | C41 | 101.7° | 102.5° |
| C43 | C42 | C36 | H35 | 132.3° | 130.7° |
| C43 | C42 | C41 | H35 | 125.6° | 127.3° |
| C43 | C42 | C41 | H33 | 62.9° | 62.7° |
| C43 | C42 | C41 | H34 | 171.5° | 169.0° |
| C42 | C43 | C44 | H36 | 0.6° | 0.1° |
| C39 | C38 | C37 | H31 | 180.0° | 179.9° |
| C39 | C38 | C37 | C40 | 179.9° | 179.5° |
| C39 | C38 | C37 | C36 | 0.6° | 0.3° |
| C38 | C39 | C34 | C33 | 180.0° | 179.9° |
| C38 | C39 | C34 | C35 | 0.8° | 0.4° |
| C38 | C39 | C31 | H26 | 19.9° | 17.0° |
| C37 | C38 | C39 | C34 | 1.1° | 0.6° |
| C38 | C37 | C40 | C36 | 179.4° | 179.9° |
| C38 | C37 | C40 | C41 | 145.9° | 144.4° |
| C38 | C37 | C36 | C35 | 0.2° | 0.2° |
| C38 | C37 | C36 | C42 | 179.0° | 179.7° |
| C38 | C37 | C40 | H32 | 20.3° | 17.7° |
| C39 | C34 | C33 | C35 | 179.1° | 179.7° |
| C39 | C34 | C33 | C32 | 34.5° | 35.5° |
| C39 | C34 | C35 | C36 | 0.1° | 0.2° |
| C34 | C39 | C31 | H26 | 161.4° | 162.9° |
| C39 | C34 | C33 | H29 | 159.9° | 163.0° |
| C39 | C34 | C35 | H30 | 180.0° | 179.8° |
| C34 | C39 | C38 | H31 | 178.9° | 179.4° |
| C37 | C40 | C41 | H32 | 126.1° | 126.5° |
| C40 | C37 | C36 | C35 | 179.3° | 179.9° |
| C40 | C37 | C36 | C42 | 0.5° | 0.2° |
| C37 | C40 | C41 | C42 | 53.1° | 53.2° |
| C40 | C37 | C38 | H31 | 0.1° | 0.4° |
| C37 | C40 | C41 | H33 | 170.3° | 169.0° |
| C37 | C40 | C41 | H34 | 64.1° | 62.8° |
| C36 | C37 | C40 | C41 | 34.7° | 35.5° |
| C37 | C36 | C35 | C34 | 0.6° | 0.5° |
| C37 | C36 | C35 | C42 | 178.4° | 180.0° |
| C37 | C36 | C42 | C41 | 35.6° | 35.2° |
| C37 | C36 | C35 | H30 | 179.5° | 179.5° |
| C36 | C37 | C38 | H31 | 179.4° | 179.8° |
| C36 | C37 | C40 | H32 | 160.3° | 162.2° |
| C37 | C36 | C42 | H35 | 161.5° | 162.0° |
| C34 | C33 | C32 | H29 | 125.8° | 126.7° |
| C33 | C34 | C35 | C36 | 178.9° | 179.4° |
| C34 | C33 | C32 | H27 | 63.7° | 62.6° |
| C34 | C33 | C32 | H28 | 170.7° | 169.1° |
| C33 | C34 | C35 | H30 | 1.1° | 0.6° |
| C32 | C33 | C34 | C35 | 144.5° | 144.1° |
| C33 | C32 | C31 | H26 | 179.7° | 180.0° |
| C33 | C32 | H27 | H28 | 127.6° | 128.7° |
| C40 | C41 | C42 | C36 | 53.6° | 53.1° |
| C40 | C41 | C42 | H33 | 117.2° | 115.8° |
| C40 | C41 | C42 | H34 | 117.2° | 115.9° |
| C40 | C41 | H33 | H34 | 127.7° | 128.5° |
| C40 | C41 | C42 | H35 | 180.0° | 179.5° |
| C34 | C35 | C36 | H30 | 180.0° | 180.0° |
| C34 | C35 | C36 | C42 | 178.9° | 179.5° |
| C35 | C34 | C33 | H29 | 19.1° | 16.6° |
| O2 | C6 | C5 | H7 | 120.5° | 120.0° |
| O2 | C6 | C5 | H8 | 120.5° | 120.0° |
| O2 | C6 | C5 | C4 | 41.1° | 180.0° |
| O2 | C6 | C5 | H5 | 162.2° | 60.0° |
| O2 | C6 | C5 | H6 | 79.9° | 60.0° |
| O2 | C6 | H7 | H8 | 118.4° | 120.0° |
| C35 | C36 | C42 | C41 | 145.9° | 144.7° |
| C35 | C36 | C42 | H35 | 20.0° | 18.0° |
| C36 | C42 | C41 | H35 | 126.4° | 126.5° |
| C42 | C36 | C35 | H30 | 1.1° | 0.6° |
| C36 | C42 | C41 | H33 | 170.8° | 168.9° |
| C36 | C42 | C41 | H34 | 63.6° | 62.8° |
| C42 | C41 | C40 | H32 | 179.2° | 179.6° |
| C42 | C41 | H33 | H34 | 127.7° | 128.6° |
| C6 | C5 | C4 | H5 | 121.0° | 120.0° |
| C6 | C5 | C4 | H6 | 121.1° | 120.0° |
| C6 | C5 | C4 | C3 | 28.0° | 125.0° |
| C6 | C5 | C4 | N2 | 152.7° | 55.0° |
| C6 | C5 | H5 | H6 | 116.8° | 120.0° |
| C5 | C6 | H7 | H8 | 118.4° | 120.0° |
| C5 | C4 | C3 | N2 | 179.4° | 180.0° |
| C5 | C4 | C3 | N1 | 179.4° | 180.0° |
| C5 | C4 | N2 | N3 | 179.4° | 180.0° |
| C5 | C4 | C3 | H4 | 0.6° | 0.0° |
| C4 | C5 | H5 | H6 | 116.7° | 120.0° |
| C4 | C5 | C6 | H7 | 79.4° | 60.0° |
| C4 | C5 | C6 | H8 | 161.7° | 60.0° |
| C4 | C3 | N1 | H4 | 180.0° | 180.0° |
| C3 | C4 | N2 | N3 | 1.1° | 0.0° |
| C4 | C3 | N1 | N3 | 1.1° | 0.0° |
| C4 | C3 | N1 | C2 | 177.9° | 179.7° |
| C3 | C4 | C5 | H5 | 93.0° | 115.0° |
| C3 | C4 | C5 | H6 | 149.0° | 5.0° |
| N2 | C4 | C3 | N1 | 0.0° | 0.0° |
| C4 | N2 | N3 | N1 | 1.7° | 0.0° |
| N2 | C4 | C3 | H4 | 180.0° | 180.0° |
| N2 | C4 | C5 | H5 | 86.3° | 65.0° |
| N2 | C4 | C5 | H6 | 31.6° | 175.0° |
| C3 | N1 | N3 | N2 | 1.8° | 0.0° |
| C3 | N1 | N3 | C2 | 177.2° | 179.7° |
| C3 | N1 | C2 | C1 | 77.1° | 125.3° |
| C3 | N1 | C2 | H2 | 162.1° | 5.3° |
| C3 | N1 | C2 | H3 | 43.7° | 114.7° |
| N2 | N3 | N1 | C2 | 178.9° | 179.7° |
| N3 | N1 | C2 | C1 | 106.3° | 55.0° |
| N3 | N1 | C2 | H2 | 14.4° | 175.0° |
| N3 | N1 | C2 | H3 | 132.9° | 65.0° |
| N3 | N1 | C3 | H4 | 178.9° | 180.0° |
| N1 | C2 | C1 | H2 | 120.8° | 120.0° |
| N1 | C2 | C1 | H3 | 120.8° | 120.0° |
| N1 | C2 | C1 | O1 | 110.0° | 0.1° |
| N1 | C2 | H2 | H3 | 117.6° | 120.0° |
| C2 | N1 | C3 | H4 | 2.0° | 0.3° |
| N1 | C2 | C1 | OXT | 57.4° | 179.8° |
| C2 | C1 | O1 | OXT | 168.0° | 179.8° |
| C1 | C2 | H2 | H3 | 117.6° | 120.1° |
| C2 | C1 | OXT | H1 | 168.5° | 179.8° |
| O1 | C1 | C2 | H2 | 129.2° | 120.0° |
| O1 | C1 | C2 | H3 | 10.7° | 119.9° |
| O1 | C1 | OXT | H1 | 0.0° | 0.0° |
| H2 | C2 | C1 | OXT | 63.4° | 59.8° |
| H3 | C2 | C1 | OXT | 178.2° | 60.3° |
| H5 | C5 | C6 | H7 | 41.7° | 180.0° |
| H5 | C5 | C6 | H8 | 77.3° | 60.0° |
| H6 | C5 | C6 | H7 | 159.6° | 60.0° |
| H6 | C5 | C6 | H8 | 40.6° | 180.0° |
| H12 | C13 | C14 | H13 | 61.4° | 64.6° |
| H12 | C13 | C14 | H14 | 64.2° | 63.6° |
| H13 | C14 | C15 | H15 | 64.4° | 64.7° |
| H14 | C14 | C15 | H15 | 61.2° | 63.8° |
| H18 | C22 | C23 | H19 | 62.7° | 64.2° |
| H18 | C22 | C23 | H20 | 62.9° | 64.2° |
| H19 | C23 | C24 | H21 | 62.2° | 63.7° |
| H20 | C23 | C24 | H21 | 63.4° | 64.6° |
| H22 | C26 | C27 | H23 | 0.3° | 0.1° |
| H23 | C27 | C28 | H24 | 0.1° | 0.1° |
| H24 | C28 | C29 | H25 | 0.0° | 0.1° |
| H26 | C31 | C32 | H27 | 63.1° | 64.2° |
| H26 | C31 | C32 | H28 | 62.4° | 64.1° |
| H27 | C32 | C33 | H29 | 62.1° | 64.2° |
| H28 | C32 | C33 | H29 | 63.4° | 64.2° |
| H32 | C40 | C41 | H33 | 63.6° | 64.6° |
| H32 | C40 | C41 | H34 | 62.1° | 63.7° |
| H33 | C41 | C42 | H35 | 62.8° | 64.6° |
| H34 | C41 | C42 | H35 | 62.8° | 63.7° |
| H36 | C44 | C45 | H37 | 0.2° | 0.0° |
| H37 | C45 | C46 | H38 | 0.6° | 0.0° |
| H38 | C46 | C47 | H39 | 0.3° | 0.0° |
