PRD_002607
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C25 | sing | 1.55Å | 1.57Å | |
| C24 | C23 | sing | 1.55Å | 1.38Å | |
| C25 | C26 | sing | 1.54Å | 1.59Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| C23 | N22 | sing | 1.47Å | 1.62Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C26 | N22 | sing | 1.47Å | 1.34Å | |
| C26 | C27 | sing | 1.51Å | 1.56Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| N22 | C21 | sing | 1.35Å | 1.52Å | |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| O49 | C11 | doub | 1.21Å | 1.18Å | |
| O47 | C27 | doub | 1.21Å | 1.18Å | |
| C27 | N28 | sing | 1.35Å | 1.50Å | |
| C05 | C10 | sing | 1.53Å | 1.53Å | |
| C05 | C04 | sing | 1.53Å | 1.54Å | |
| C21 | C13 | sing | 1.51Å | 1.52Å | |
| C21 | O48 | doub | 1.21Å | 1.18Å | |
| C13 | N12 | sing | 1.47Å | 1.46Å | |
| C13 | C14 | sing | 1.53Å | 1.50Å | |
| C11 | N12 | sing | 1.35Å | 1.46Å | |
| C11 | C04 | sing | 1.51Å | 1.54Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C52 | N51 | doub | 1.32Å | 1.33Å | Aromatic |
| C52 | C53 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| N51 | C50 | sing | 1.33Å | 1.32Å | Aromatic |
| N03 | C04 | sing | 1.47Å | 1.43Å | |
| N03 | C02 | sing | 1.35Å | 1.48Å | |
| N28 | C29 | sing | 1.46Å | 1.50Å | |
| C38 | C39 | doub | 1.38Å | 1.38Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.38Å | Aromatic |
| O44 | C43 | doub | 1.21Å | 1.26Å | |
| C39 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.51Å | 1.55Å | |
| C36 | C35 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.51Å | 1.55Å | |
| C15 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C53 | N54 | doub | 1.32Å | 1.32Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C50 | C02 | sing | 1.48Å | 1.53Å | |
| C50 | C55 | doub | 1.39Å | 1.39Å | Aromatic |
| C37 | C42 | doub | 1.38Å | 1.37Å | Aromatic |
| C02 | O01 | doub | 1.21Å | 1.19Å | |
| N34 | C35 | sing | 1.47Å | 1.49Å | |
| N34 | C33 | sing | 1.35Å | 1.50Å | |
| C30 | C29 | sing | 1.53Å | 1.51Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C29 | C33 | sing | 1.51Å | 1.54Å | |
| C35 | C43 | sing | 1.51Å | 1.51Å | |
| C43 | O45 | sing | 1.34Å | 1.26Å | |
| C40 | C41 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | O46 | doub | 1.21Å | 1.18Å | |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| N54 | C55 | sing | 1.32Å | 1.33Å | Aromatic |
| C42 | C41 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C05 | H2 | sing | 1.09Å | 1.10Å | |
| C06 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H37 | sing | 1.09Å | 1.10Å | |
| C36 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H39 | sing | 1.08Å | 1.08Å | |
| C39 | H40 | sing | 1.08Å | 1.08Å | |
| C40 | H41 | sing | 1.08Å | 1.08Å | |
| C41 | H42 | sing | 1.08Å | 1.08Å | |
| C42 | H43 | sing | 1.08Å | 1.08Å | |
| C52 | H44 | sing | 1.08Å | 1.08Å | |
| C53 | H45 | sing | 1.08Å | 1.08Å | |
| C55 | H46 | sing | 1.08Å | 1.08Å | |
| N03 | H47 | sing | 0.97Å | 1.00Å | |
| N12 | H48 | sing | 0.97Å | 1.00Å | |
| N28 | H49 | sing | 0.97Å | 1.00Å | |
| N34 | H50 | sing | 0.97Å | 1.00Å | |
| O45 | H51 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C24 | C23 | 106.5° | 101.5° |
| C24 | C25 | C26 | 105.9° | 103.0° |
| C25 | C24 | H23 | 110.2° | 111.0° |
| C25 | C24 | H24 | 110.2° | 111.1° |
| C24 | C25 | H25 | 110.4° | 110.7° |
| C24 | C25 | H26 | 110.4° | 110.9° |
| C24 | C23 | N22 | 108.6° | 104.7° |
| C24 | C23 | H21 | 109.7° | 110.4° |
| C24 | C23 | H22 | 109.7° | 110.4° |
| C23 | C24 | H23 | 110.2° | 111.2° |
| C23 | C24 | H24 | 110.2° | 110.9° |
| C25 | C26 | N22 | 107.4° | 107.2° |
| C25 | C26 | C27 | 111.2° | 109.9° |
| C26 | C25 | H25 | 110.4° | 110.7° |
| C26 | C25 | H26 | 110.4° | 110.7° |
| C25 | C26 | H27 | 107.7° | 110.0° |
| C08 | C07 | C06 | 111.3° | 109.5° |
| C07 | C08 | C09 | 113.7° | 109.4° |
| C08 | C07 | H5 | 109.0° | 109.5° |
| C08 | C07 | H6 | 109.0° | 109.5° |
| C07 | C08 | H7 | 108.4° | 109.4° |
| C07 | C08 | H8 | 108.4° | 109.4° |
| C07 | C06 | C05 | 108.6° | 109.5° |
| C07 | C06 | H3 | 109.7° | 109.5° |
| C07 | C06 | H4 | 109.7° | 109.5° |
| C06 | C07 | H5 | 109.0° | 109.4° |
| C06 | C07 | H6 | 109.0° | 109.4° |
| C23 | N22 | C26 | 109.7° | 108.7° |
| C23 | N22 | C21 | 124.8° | 125.6° |
| N22 | C23 | H21 | 109.7° | 110.6° |
| N22 | C23 | H22 | 109.7° | 110.2° |
| C08 | C09 | C10 | 111.5° | 109.5° |
| C09 | C08 | H7 | 108.4° | 109.5° |
| C09 | C08 | H8 | 108.4° | 109.5° |
| C08 | C09 | H9 | 109.0° | 109.5° |
| C08 | C09 | H10 | 109.0° | 109.4° |
| N22 | C26 | C27 | 111.5° | 109.9° |
| C26 | N22 | C21 | 125.5° | 125.7° |
| N22 | C26 | H27 | 111.1° | 109.9° |
| C26 | C27 | O47 | 119.8° | 120.0° |
| C26 | C27 | N28 | 117.3° | 120.0° |
| C27 | C26 | H27 | 108.0° | 109.9° |
| C06 | C05 | C10 | 112.5° | 109.4° |
| C06 | C05 | C04 | 110.6° | 109.5° |
| C06 | C05 | H2 | 107.6° | 109.5° |
| C05 | C06 | H3 | 109.7° | 109.4° |
| C05 | C06 | H4 | 109.7° | 109.5° |
| N22 | C21 | C13 | 122.0° | 120.0° |
| N22 | C21 | O48 | 121.6° | 120.0° |
| C09 | C10 | C05 | 109.7° | 109.5° |
| C10 | C09 | H9 | 109.0° | 109.5° |
| C10 | C09 | H10 | 108.9° | 109.5° |
| C09 | C10 | H11 | 109.4° | 109.5° |
| C09 | C10 | H12 | 109.4° | 109.5° |
| O49 | C11 | N12 | 120.6° | 120.0° |
| O49 | C11 | C04 | 121.5° | 120.0° |
| O47 | C27 | N28 | 122.9° | 120.0° |
| C27 | N28 | C29 | 131.2° | 120.0° |
| C27 | N28 | H49 | 114.4° | 120.0° |
| C10 | C05 | C04 | 111.0° | 109.5° |
| C10 | C05 | H2 | 107.5° | 109.4° |
| C05 | C10 | H11 | 109.4° | 109.5° |
| C05 | C10 | H12 | 109.4° | 109.5° |
| C05 | C04 | C11 | 103.6° | 109.4° |
| C05 | C04 | N03 | 113.1° | 109.4° |
| C05 | C04 | H1 | 109.8° | 109.5° |
| C04 | C05 | H2 | 107.4° | 109.5° |
| C13 | C21 | O48 | 116.4° | 119.9° |
| C21 | C13 | N12 | 105.1° | 109.5° |
| C21 | C13 | C14 | 105.9° | 109.5° |
| C21 | C13 | H13 | 112.8° | 109.5° |
| N12 | C13 | C14 | 105.4° | 109.5° |
| C13 | N12 | C11 | 120.0° | 120.0° |
| N12 | C13 | H13 | 113.8° | 109.5° |
| C13 | N12 | H48 | 120.0° | 120.0° |
| C13 | C14 | C15 | 111.3° | 109.5° |
| C14 | C13 | H13 | 113.2° | 109.4° |
| C13 | C14 | H14 | 109.0° | 109.5° |
| C13 | C14 | H15 | 109.0° | 109.5° |
| N12 | C11 | C04 | 117.8° | 120.0° |
| C11 | N12 | H48 | 120.0° | 120.0° |
| C11 | C04 | N03 | 108.7° | 109.4° |
| C11 | C04 | H1 | 109.9° | 109.5° |
| C17 | C16 | C15 | 119.1° | 120.0° |
| C16 | C17 | C18 | 119.7° | 120.0° |
| C17 | C16 | H16 | 120.4° | 120.0° |
| C16 | C17 | H17 | 120.2° | 120.0° |
| C16 | C15 | C14 | 119.7° | 120.0° |
| C16 | C15 | C20 | 121.4° | 120.0° |
| C15 | C16 | H16 | 120.5° | 120.0° |
| N51 | C52 | C53 | 118.8° | 120.1° |
| C52 | N51 | C50 | 119.7° | 119.9° |
| N51 | C52 | H44 | 120.6° | 120.0° |
| C52 | C53 | N54 | 121.4° | 120.2° |
| C53 | C52 | H44 | 120.6° | 119.9° |
| C52 | C53 | H45 | 119.3° | 119.9° |
| C17 | C18 | C19 | 120.9° | 119.9° |
| C18 | C17 | H17 | 120.2° | 120.0° |
| C17 | C18 | H18 | 119.6° | 120.0° |
| N51 | C50 | C02 | 119.0° | 120.1° |
| N51 | C50 | C55 | 121.6° | 119.8° |
| C04 | N03 | C02 | 118.8° | 120.0° |
| N03 | C04 | H1 | 111.5° | 109.5° |
| C04 | N03 | H47 | 120.6° | 120.0° |
| N03 | C02 | C50 | 118.1° | 120.0° |
| N03 | C02 | O01 | 121.3° | 120.1° |
| C02 | N03 | H47 | 120.6° | 120.0° |
| N28 | C29 | C30 | 112.1° | 109.5° |
| N28 | C29 | C33 | 115.6° | 109.5° |
| N28 | C29 | H28 | 106.1° | 109.5° |
| C29 | N28 | H49 | 114.4° | 120.0° |
| C39 | C38 | C37 | 119.5° | 120.1° |
| C38 | C39 | C40 | 119.6° | 120.0° |
| C39 | C38 | H39 | 120.3° | 120.0° |
| C38 | C39 | H40 | 120.2° | 120.0° |
| C38 | C37 | C36 | 120.3° | 120.0° |
| C38 | C37 | C42 | 120.7° | 120.0° |
| C37 | C38 | H39 | 120.3° | 120.0° |
| O44 | C43 | C35 | 119.2° | 120.1° |
| O44 | C43 | O45 | 120.5° | 120.0° |
| C39 | C40 | C41 | 121.1° | 120.1° |
| C40 | C39 | H40 | 120.2° | 120.0° |
| C39 | C40 | H41 | 119.5° | 120.0° |
| C37 | C36 | C35 | 111.2° | 109.5° |
| C36 | C37 | C42 | 119.0° | 120.0° |
| C37 | C36 | H37 | 109.1° | 109.5° |
| C37 | C36 | H38 | 109.0° | 109.5° |
| C36 | C35 | N34 | 107.5° | 109.4° |
| C36 | C35 | C43 | 107.7° | 109.5° |
| C36 | C35 | H36 | 110.1° | 109.5° |
| C35 | C36 | H37 | 109.0° | 109.5° |
| C35 | C36 | H38 | 109.1° | 109.5° |
| C14 | C15 | C20 | 118.9° | 120.0° |
| C15 | C14 | H14 | 109.0° | 109.5° |
| C15 | C14 | H15 | 109.0° | 109.4° |
| C15 | C20 | C19 | 119.5° | 120.0° |
| C15 | C20 | H20 | 120.3° | 120.0° |
| C53 | N54 | C55 | 119.9° | 120.1° |
| N54 | C53 | H45 | 119.3° | 119.9° |
| C18 | C19 | C20 | 119.5° | 120.0° |
| C19 | C18 | H18 | 119.5° | 120.1° |
| C18 | C19 | H19 | 120.3° | 120.0° |
| C02 | C50 | C55 | 119.4° | 120.1° |
| C50 | C02 | O01 | 120.6° | 119.9° |
| C50 | C55 | N54 | 118.6° | 119.9° |
| C50 | C55 | H46 | 120.7° | 120.0° |
| C37 | C42 | C41 | 120.4° | 120.0° |
| C37 | C42 | H43 | 119.8° | 120.0° |
| C35 | N34 | C33 | 121.9° | 120.0° |
| N34 | C35 | C43 | 110.5° | 109.4° |
| N34 | C35 | H36 | 110.6° | 109.4° |
| C35 | N34 | H50 | 119.1° | 120.1° |
| N34 | C33 | C29 | 120.7° | 120.0° |
| N34 | C33 | O46 | 120.8° | 120.0° |
| C33 | N34 | H50 | 119.0° | 120.0° |
| C29 | C30 | C31 | 112.5° | 109.5° |
| C30 | C29 | C33 | 110.7° | 109.5° |
| C30 | C29 | H28 | 106.0° | 109.5° |
| C29 | C30 | H29 | 108.7° | 109.5° |
| C29 | C30 | H30 | 108.7° | 109.5° |
| C30 | C31 | C32 | 113.4° | 109.5° |
| C31 | C30 | H29 | 108.7° | 109.5° |
| C31 | C30 | H30 | 108.7° | 109.4° |
| C30 | C31 | H31 | 108.5° | 109.5° |
| C30 | C31 | H32 | 108.5° | 109.4° |
| C29 | C33 | O46 | 118.5° | 120.0° |
| C33 | C29 | H28 | 105.6° | 109.5° |
| C35 | C43 | O45 | 120.3° | 119.9° |
| C43 | C35 | H36 | 110.3° | 109.5° |
| C43 | O45 | H51 | 109.5° | 117.0° |
| C40 | C41 | C42 | 118.7° | 119.9° |
| C41 | C40 | H41 | 119.5° | 120.0° |
| C40 | C41 | H42 | 120.6° | 120.1° |
| C20 | C19 | H19 | 120.3° | 120.0° |
| C19 | C20 | H20 | 120.3° | 120.0° |
| N54 | C55 | H46 | 120.7° | 120.1° |
| C42 | C41 | H42 | 120.6° | 120.0° |
| C41 | C42 | H43 | 119.8° | 120.0° |
| C32 | C31 | H31 | 108.5° | 109.5° |
| C32 | C31 | H32 | 108.4° | 109.5° |
| C31 | C32 | H33 | 109.5° | 109.5° |
| C31 | C32 | H34 | 109.4° | 109.5° |
| C31 | C32 | H35 | 109.5° | 109.5° |
| H3 | C06 | H4 | 109.4° | 109.5° |
| H5 | C07 | H6 | 109.5° | 109.5° |
| H7 | C08 | H8 | 109.5° | 109.5° |
| H9 | C09 | H10 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.4° |
| H14 | C14 | H15 | 109.5° | 109.5° |
| H21 | C23 | H22 | 109.5° | 110.4° |
| H23 | C24 | H24 | 109.4° | 110.9° |
| H25 | C25 | H26 | 109.4° | 110.6° |
| H29 | C30 | H30 | 109.5° | 109.4° |
| H31 | C31 | H32 | 109.5° | 109.5° |
| H33 | C32 | H34 | 109.5° | 109.5° |
| H33 | C32 | H35 | 109.5° | 109.5° |
| H34 | C32 | H35 | 109.5° | 109.4° |
| H37 | C36 | H38 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C24 | C23 | H23 | 119.6° | 118.1° |
| C25 | C24 | C23 | H24 | 119.5° | 118.1° |
| C24 | C25 | C26 | H25 | 119.5° | 118.4° |
| C24 | C25 | C26 | H26 | 119.5° | 118.6° |
| C25 | C24 | C23 | N22 | 13.8° | 37.2° |
| C24 | C25 | C26 | N22 | 5.5° | 22.2° |
| C24 | C25 | C26 | C27 | 127.6° | 97.2° |
| C25 | C24 | C23 | H21 | 106.0° | 81.8° |
| C25 | C24 | C23 | H22 | 133.7° | 155.8° |
| C25 | C24 | H23 | H24 | 121.4° | 124.0° |
| C24 | C25 | H25 | H26 | 121.7° | 123.3° |
| C24 | C25 | C26 | H27 | 114.2° | 141.7° |
| C23 | C24 | C25 | C26 | 12.4° | 35.6° |
| C24 | C23 | N22 | H21 | 119.9° | 118.9° |
| C24 | C23 | N22 | H22 | 119.9° | 118.8° |
| C24 | C23 | N22 | C26 | 11.1° | 24.4° |
| C24 | C23 | N22 | C21 | 168.0° | 155.8° |
| C24 | C23 | H21 | H22 | 120.4° | 122.4° |
| C23 | C24 | H23 | H24 | 121.4° | 123.9° |
| C23 | C24 | C25 | H25 | 131.9° | 154.0° |
| C23 | C24 | C25 | H26 | 107.0° | 82.8° |
| C25 | C26 | N22 | C23 | 2.6° | 1.2° |
| C25 | C26 | N22 | C27 | 122.0° | 119.4° |
| C25 | C26 | N22 | H27 | 117.5° | 119.6° |
| C25 | C26 | C27 | H27 | 117.9° | 121.2° |
| C25 | C26 | N22 | C21 | 176.5° | 178.9° |
| C25 | C26 | C27 | O47 | 13.9° | 117.7° |
| C25 | C26 | C27 | N28 | 165.7° | 62.2° |
| C26 | C25 | C24 | H23 | 132.0° | 82.5° |
| C26 | C25 | C24 | H24 | 107.1° | 153.6° |
| C26 | C25 | H25 | H26 | 121.6° | 123.1° |
| C08 | C07 | C06 | H5 | 120.3° | 120.0° |
| C08 | C07 | C06 | H6 | 120.3° | 120.0° |
| C07 | C08 | C09 | H7 | 120.6° | 120.0° |
| C07 | C08 | C09 | H8 | 120.6° | 120.0° |
| C08 | C07 | C06 | C05 | 56.0° | 60.0° |
| C07 | C08 | C09 | C10 | 51.2° | 60.0° |
| C08 | C07 | C06 | H3 | 175.8° | 180.0° |
| C08 | C07 | C06 | H4 | 63.9° | 60.0° |
| C08 | C07 | H5 | H6 | 119.2° | 120.1° |
| C07 | C08 | H7 | H8 | 118.0° | 119.9° |
| C07 | C08 | C09 | H9 | 171.5° | 60.0° |
| C07 | C08 | C09 | H10 | 69.1° | 180.0° |
| C06 | C07 | C08 | C09 | 53.3° | 60.0° |
| C07 | C06 | C05 | H3 | 119.9° | 120.0° |
| C07 | C06 | C05 | H4 | 119.9° | 120.0° |
| C07 | C06 | C05 | C10 | 60.3° | 60.0° |
| C07 | C06 | C05 | C04 | 175.0° | 180.0° |
| C07 | C06 | C05 | H2 | 57.9° | 60.0° |
| C07 | C06 | H3 | H4 | 120.4° | 120.1° |
| C06 | C07 | H5 | H6 | 119.2° | 119.9° |
| C06 | C07 | C08 | H7 | 67.3° | 60.0° |
| C06 | C07 | C08 | H8 | 173.9° | 180.0° |
| C23 | N22 | C26 | C21 | 179.1° | 179.8° |
| C23 | N22 | C26 | C27 | 119.4° | 120.7° |
| C23 | N22 | C21 | C13 | 1.3° | 4.3° |
| C23 | N22 | C21 | O48 | 179.9° | 175.7° |
| N22 | C23 | H21 | H22 | 120.4° | 122.2° |
| N22 | C23 | C24 | H23 | 133.4° | 80.8° |
| N22 | C23 | C24 | H24 | 105.7° | 155.3° |
| C23 | N22 | C26 | H27 | 120.0° | 118.3° |
| C08 | C09 | C10 | H9 | 120.3° | 120.0° |
| C08 | C09 | C10 | H10 | 120.3° | 119.9° |
| C08 | C09 | C10 | C05 | 52.4° | 60.0° |
| C09 | C08 | C07 | H5 | 67.0° | 180.0° |
| C09 | C08 | C07 | H6 | 173.6° | 60.0° |
| C09 | C08 | H7 | H8 | 118.1° | 120.1° |
| C08 | C09 | H9 | H10 | 119.1° | 119.9° |
| C08 | C09 | C10 | H11 | 67.7° | 179.9° |
| C08 | C09 | C10 | H12 | 172.4° | 60.0° |
| N22 | C26 | C27 | H27 | 122.3° | 121.0° |
| N22 | C26 | C27 | O47 | 105.9° | 0.0° |
| N22 | C26 | C27 | N28 | 74.5° | 180.0° |
| C26 | N22 | C21 | C13 | 179.7° | 175.5° |
| C26 | N22 | C21 | O48 | 1.2° | 4.5° |
| C26 | N22 | C23 | H21 | 108.8° | 94.5° |
| C26 | N22 | C23 | H22 | 131.0° | 143.1° |
| N22 | C26 | C25 | H25 | 124.9° | 140.6° |
| N22 | C26 | C25 | H26 | 114.0° | 96.4° |
| C27 | C26 | N22 | C21 | 61.5° | 59.5° |
| C26 | C27 | O47 | N28 | 179.6° | 179.9° |
| C26 | C27 | N28 | C29 | 179.7° | 180.0° |
| C27 | C26 | C25 | H25 | 112.9° | 21.2° |
| C27 | C26 | C25 | H26 | 8.2° | 144.2° |
| C26 | C27 | N28 | H49 | 0.3° | 0.1° |
| C06 | C05 | C10 | C09 | 58.7° | 60.0° |
| C06 | C05 | C10 | C04 | 124.5° | 120.0° |
| C06 | C05 | C10 | H2 | 118.2° | 120.0° |
| C06 | C05 | C04 | H2 | 117.1° | 120.1° |
| C06 | C05 | C04 | C11 | 103.9° | 60.0° |
| C06 | C05 | C04 | N03 | 13.5° | 59.9° |
| C06 | C05 | C04 | H1 | 138.8° | 179.9° |
| C05 | C06 | H3 | H4 | 120.4° | 120.0° |
| C05 | C06 | C07 | H5 | 64.3° | 179.9° |
| C05 | C06 | C07 | H6 | 176.3° | 60.0° |
| C06 | C05 | C10 | H11 | 61.4° | 180.0° |
| C06 | C05 | C10 | H12 | 178.7° | 60.0° |
| N22 | C21 | C13 | O48 | 178.6° | 180.0° |
| N22 | C21 | C13 | N12 | 146.0° | 152.6° |
| N22 | C21 | C13 | C14 | 102.8° | 87.4° |
| N22 | C21 | C13 | H13 | 21.5° | 32.5° |
| C21 | N22 | C23 | H21 | 72.1° | 85.3° |
| C21 | N22 | C23 | H22 | 48.1° | 37.0° |
| C21 | N22 | C26 | H27 | 59.0° | 61.5° |
| C09 | C10 | C05 | H11 | 120.0° | 120.0° |
| C09 | C10 | C05 | H12 | 120.0° | 120.0° |
| C09 | C10 | C05 | C04 | 176.8° | 180.0° |
| C09 | C10 | C05 | H2 | 59.6° | 60.0° |
| C10 | C09 | C08 | H7 | 69.4° | 60.0° |
| C10 | C09 | C08 | H8 | 171.8° | 180.0° |
| C10 | C09 | H9 | H10 | 119.1° | 120.0° |
| C09 | C10 | H11 | H12 | 119.9° | 120.0° |
| O49 | C11 | C04 | C05 | 97.4° | 120.0° |
| O49 | C11 | N12 | C13 | 1.4° | 0.1° |
| O49 | C11 | N12 | C04 | 178.3° | 179.9° |
| O49 | C11 | C04 | N03 | 23.1° | 0.1° |
| O49 | C11 | C04 | H1 | 145.3° | 119.9° |
| O49 | C11 | N12 | H48 | 178.7° | 179.9° |
| O47 | C27 | N28 | C29 | 0.8° | 0.1° |
| O47 | C27 | C26 | H27 | 131.8° | 121.0° |
| O47 | C27 | N28 | H49 | 179.2° | 180.0° |
| C27 | N28 | C29 | H49 | 180.0° | 179.9° |
| C27 | N28 | C29 | C30 | 98.9° | 84.9° |
| C27 | N28 | C29 | C33 | 29.3° | 155.1° |
| N28 | C27 | C26 | H27 | 47.8° | 59.1° |
| C27 | N28 | C29 | H28 | 145.9° | 35.1° |
| C10 | C05 | C04 | H2 | 117.3° | 120.0° |
| C10 | C05 | C04 | C11 | 130.5° | 180.0° |
| C10 | C05 | C04 | N03 | 112.1° | 60.0° |
| C10 | C05 | C04 | H1 | 13.2° | 60.0° |
| C10 | C05 | C06 | H3 | 179.9° | 180.0° |
| C10 | C05 | C06 | H4 | 59.6° | 60.0° |
| C05 | C10 | C09 | H9 | 172.7° | 60.0° |
| C05 | C10 | C09 | H10 | 67.9° | 180.0° |
| C05 | C10 | H11 | H12 | 120.0° | 120.0° |
| C05 | C04 | C11 | N12 | 80.9° | 60.1° |
| C05 | C04 | C11 | N03 | 120.5° | 119.9° |
| C05 | C04 | C11 | H1 | 117.3° | 120.1° |
| C05 | C04 | N03 | H1 | 124.3° | 120.0° |
| C05 | C04 | N03 | C02 | 115.2° | 85.0° |
| C04 | C05 | C06 | H3 | 55.1° | 60.1° |
| C04 | C05 | C06 | H4 | 65.1° | 60.0° |
| C04 | C05 | C10 | H11 | 63.2° | 60.0° |
| C04 | C05 | C10 | H12 | 56.8° | 60.0° |
| C05 | C04 | N03 | H47 | 64.8° | 95.0° |
| C21 | C13 | N12 | C14 | 111.5° | 120.0° |
| C21 | C13 | N12 | H13 | 123.8° | 120.0° |
| C21 | C13 | C14 | H13 | 124.0° | 120.0° |
| C21 | C13 | N12 | C11 | 139.8° | 155.0° |
| C21 | C13 | C14 | C15 | 153.2° | 174.2° |
| C21 | C13 | C14 | H14 | 86.5° | 65.8° |
| C21 | C13 | C14 | H15 | 32.9° | 54.2° |
| C21 | C13 | N12 | H48 | 40.2° | 25.0° |
| O48 | C21 | C13 | N12 | 35.4° | 27.4° |
| O48 | C21 | C13 | C14 | 75.8° | 92.6° |
| O48 | C21 | C13 | H13 | 159.9° | 147.4° |
| N12 | C13 | C14 | H13 | 125.0° | 120.0° |
| C13 | N12 | C11 | H48 | 180.0° | 180.0° |
| C13 | N12 | C11 | C04 | 179.7° | 180.0° |
| N12 | C13 | C14 | C15 | 95.8° | 65.7° |
| N12 | C13 | C14 | H14 | 24.5° | 54.3° |
| N12 | C13 | C14 | H15 | 143.9° | 174.3° |
| C14 | C13 | N12 | C11 | 108.6° | 85.0° |
| C13 | C14 | C15 | C16 | 46.2° | 89.8° |
| C13 | C14 | C15 | H14 | 120.3° | 120.0° |
| C13 | C14 | C15 | H15 | 120.3° | 120.0° |
| C13 | C14 | C15 | C20 | 133.1° | 90.0° |
| C13 | C14 | H14 | H15 | 119.2° | 120.1° |
| C14 | C13 | N12 | H48 | 71.4° | 95.0° |
| N12 | C11 | C04 | N03 | 158.6° | 180.0° |
| N12 | C11 | C04 | H1 | 36.4° | 60.0° |
| C11 | N12 | C13 | H13 | 16.0° | 35.0° |
| C11 | C04 | N03 | H1 | 121.3° | 120.0° |
| C11 | C04 | N03 | C02 | 130.4° | 155.0° |
| C11 | C04 | C05 | H2 | 13.2° | 60.1° |
| C11 | C04 | N03 | H47 | 49.6° | 24.9° |
| C04 | C11 | N12 | H48 | 0.4° | 0.1° |
| C17 | C16 | C15 | H16 | 180.0° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 179.6° | 180.0° |
| C17 | C16 | C15 | C20 | 1.1° | 0.2° |
| C16 | C17 | C18 | C19 | 0.5° | 0.3° |
| C16 | C17 | C18 | H18 | 179.5° | 180.0° |
| C15 | C16 | C17 | C18 | 0.5° | 0.0° |
| C16 | C15 | C14 | C20 | 179.3° | 179.7° |
| C16 | C15 | C20 | C19 | 0.6° | 0.2° |
| C16 | C15 | C14 | H14 | 166.5° | 150.2° |
| C16 | C15 | C14 | H15 | 74.0° | 30.3° |
| C15 | C16 | C17 | H17 | 179.5° | 179.9° |
| C16 | C15 | C20 | H20 | 179.4° | 179.7° |
| N51 | C52 | C53 | H44 | 180.0° | 179.9° |
| N51 | C52 | C53 | N54 | 0.3° | 0.3° |
| C52 | N51 | C50 | C02 | 179.7° | 180.0° |
| C52 | N51 | C50 | C55 | 0.4° | 0.3° |
| N51 | C52 | C53 | H45 | 179.7° | 180.0° |
| C53 | C52 | N51 | C50 | 0.0° | 0.0° |
| C52 | C53 | N54 | H45 | 180.0° | 179.7° |
| C52 | C53 | N54 | C55 | 0.3° | 0.3° |
| C17 | C18 | C19 | H18 | 180.0° | 179.7° |
| C17 | C18 | C19 | C20 | 0.9° | 0.3° |
| C18 | C17 | C16 | H16 | 179.5° | 180.0° |
| C17 | C18 | C19 | H19 | 179.1° | 179.7° |
| N51 | C50 | C02 | N03 | 23.0° | 0.3° |
| N51 | C50 | C02 | C55 | 179.3° | 179.7° |
| N51 | C50 | C02 | O01 | 157.0° | 179.7° |
| N51 | C50 | C55 | N54 | 0.4° | 0.3° |
| C50 | N51 | C52 | H44 | 180.0° | 179.9° |
| N51 | C50 | C55 | H46 | 179.6° | 179.8° |
| C04 | N03 | C02 | H47 | 180.0° | 180.0° |
| C04 | N03 | C02 | C50 | 179.4° | 180.0° |
| C04 | N03 | C02 | O01 | 0.6° | 0.0° |
| N03 | C04 | C05 | H2 | 130.6° | 180.0° |
| N03 | C02 | C50 | O01 | 180.0° | 180.0° |
| N03 | C02 | C50 | C55 | 156.3° | 180.0° |
| C02 | N03 | C04 | H1 | 9.2° | 35.0° |
| N28 | C29 | C33 | N34 | 68.2° | 180.0° |
| N28 | C29 | C30 | C33 | 130.7° | 120.0° |
| N28 | C29 | C30 | H28 | 115.3° | 120.0° |
| N28 | C29 | C30 | C31 | 172.8° | 65.0° |
| N28 | C29 | C33 | H28 | 116.9° | 120.0° |
| N28 | C29 | C33 | O46 | 112.6° | 0.0° |
| N28 | C29 | C30 | H29 | 66.7° | 55.0° |
| N28 | C29 | C30 | H30 | 52.4° | 175.0° |
| C39 | C38 | C37 | H39 | 180.0° | 179.9° |
| C38 | C39 | C40 | H40 | 180.0° | 180.0° |
| C39 | C38 | C37 | C36 | 179.5° | 180.0° |
| C39 | C38 | C37 | C42 | 0.3° | 0.3° |
| C38 | C39 | C40 | C41 | 0.6° | 0.2° |
| C38 | C39 | C40 | H41 | 179.4° | 180.0° |
| C37 | C38 | C39 | C40 | 0.1° | 0.1° |
| C38 | C37 | C36 | C42 | 179.7° | 179.7° |
| C38 | C37 | C36 | C35 | 115.1° | 89.7° |
| C38 | C37 | C42 | C41 | 0.2° | 0.3° |
| C38 | C37 | C36 | H37 | 5.2° | 150.2° |
| C38 | C37 | C36 | H38 | 124.7° | 30.3° |
| C37 | C38 | C39 | H40 | 179.9° | 180.0° |
| C38 | C37 | C42 | H43 | 179.8° | 179.7° |
| O44 | C43 | C35 | C36 | 63.2° | 120.0° |
| O44 | C43 | C35 | N34 | 54.0° | 0.1° |
| O44 | C43 | C35 | O45 | 180.0° | 179.9° |
| O44 | C43 | C35 | H36 | 176.6° | 119.9° |
| O44 | C43 | O45 | H51 | 0.0° | 0.1° |
| C39 | C40 | C41 | H41 | 180.0° | 179.8° |
| C39 | C40 | C41 | C42 | 0.6° | 0.2° |
| C40 | C39 | C38 | H39 | 179.9° | 180.0° |
| C39 | C40 | C41 | H42 | 179.4° | 179.7° |
| C37 | C36 | C35 | H37 | 120.3° | 120.0° |
| C37 | C36 | C35 | H38 | 120.3° | 120.0° |
| C37 | C36 | C35 | N34 | 176.7° | 65.0° |
| C37 | C36 | C35 | C43 | 57.6° | 175.0° |
| C36 | C37 | C42 | C41 | 179.5° | 180.0° |
| C37 | C36 | C35 | H36 | 62.7° | 54.9° |
| C37 | C36 | H37 | H38 | 119.2° | 119.9° |
| C36 | C37 | C38 | H39 | 0.6° | 0.1° |
| C36 | C37 | C42 | H43 | 0.4° | 0.0° |
| C35 | C36 | C37 | C42 | 64.7° | 90.0° |
| C36 | C35 | N34 | C43 | 117.3° | 120.0° |
| C36 | C35 | N34 | H36 | 120.3° | 120.0° |
| C36 | C35 | N34 | C33 | 179.1° | 155.0° |
| C36 | C35 | C43 | H36 | 120.2° | 120.1° |
| C36 | C35 | C43 | O45 | 116.8° | 60.1° |
| C35 | C36 | H37 | H38 | 119.2° | 120.0° |
| C36 | C35 | N34 | H50 | 0.9° | 25.0° |
| C14 | C15 | C20 | C19 | 179.9° | 180.0° |
| C15 | C14 | C13 | H13 | 29.2° | 54.3° |
| C15 | C14 | H14 | H15 | 119.1° | 119.9° |
| C14 | C15 | C16 | H16 | 0.4° | 0.0° |
| C14 | C15 | C20 | H20 | 0.1° | 0.0° |
| C15 | C20 | C19 | C18 | 0.4° | 0.0° |
| C15 | C20 | C19 | H20 | 180.0° | 179.9° |
| C20 | C15 | C14 | H14 | 12.8° | 30.0° |
| C20 | C15 | C14 | H15 | 106.6° | 150.0° |
| C20 | C15 | C16 | H16 | 178.9° | 179.8° |
| C15 | C20 | C19 | H19 | 179.6° | 180.0° |
| C53 | N54 | C55 | C50 | 0.1° | 0.0° |
| N54 | C53 | C52 | H44 | 179.7° | 179.8° |
| C53 | N54 | C55 | H46 | 179.9° | 179.9° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C19 | C18 | C17 | H17 | 179.6° | 179.8° |
| C18 | C19 | C20 | H20 | 179.6° | 180.0° |
| C02 | C50 | C55 | N54 | 179.7° | 180.0° |
| C02 | C50 | C55 | H46 | 0.3° | 0.1° |
| C50 | C02 | N03 | H47 | 0.6° | 0.0° |
| C55 | C50 | C02 | O01 | 23.7° | 0.0° |
| C50 | C55 | N54 | H46 | 180.0° | 179.9° |
| C37 | C42 | C41 | C40 | 0.3° | 0.1° |
| C37 | C42 | C41 | H43 | 180.0° | 180.0° |
| C42 | C37 | C36 | H37 | 175.1° | 30.0° |
| C42 | C37 | C36 | H38 | 55.6° | 150.0° |
| C42 | C37 | C38 | H39 | 179.7° | 179.8° |
| C37 | C42 | C41 | H42 | 179.7° | 179.9° |
| O01 | C02 | N03 | H47 | 179.4° | 180.0° |
| C35 | N34 | C33 | H50 | 180.0° | 180.0° |
| C35 | N34 | C33 | C29 | 179.7° | 180.0° |
| N34 | C35 | C43 | H36 | 122.6° | 120.0° |
| N34 | C35 | C43 | O45 | 126.0° | 180.0° |
| C35 | N34 | C33 | O46 | 0.5° | 0.1° |
| N34 | C35 | C36 | H37 | 56.5° | 55.0° |
| N34 | C35 | C36 | H38 | 63.0° | 175.0° |
| N34 | C33 | C29 | C30 | 60.6° | 60.0° |
| N34 | C33 | C29 | O46 | 179.2° | 179.9° |
| C33 | N34 | C35 | C43 | 63.5° | 85.0° |
| N34 | C33 | C29 | H28 | 174.9° | 59.9° |
| C33 | N34 | C35 | H36 | 58.9° | 35.1° |
| C29 | C30 | C31 | H29 | 120.5° | 120.1° |
| C29 | C30 | C31 | H30 | 120.4° | 120.0° |
| C30 | C29 | C33 | H28 | 114.3° | 120.0° |
| C30 | C29 | C33 | O46 | 118.6° | 120.0° |
| C29 | C30 | C31 | C32 | 83.9° | 180.0° |
| C29 | C30 | H29 | H30 | 118.6° | 120.0° |
| C29 | C30 | C31 | H31 | 155.5° | 60.0° |
| C29 | C30 | C31 | H32 | 36.7° | 60.0° |
| C30 | C29 | N28 | H49 | 81.1° | 94.9° |
| C31 | C30 | C29 | C33 | 42.1° | 175.0° |
| C30 | C31 | C32 | H31 | 120.6° | 120.0° |
| C30 | C31 | C32 | H32 | 120.6° | 120.0° |
| C31 | C30 | C29 | H28 | 71.9° | 55.0° |
| C31 | C30 | H29 | H30 | 118.6° | 119.9° |
| C30 | C31 | H31 | H32 | 118.2° | 119.9° |
| C30 | C31 | C32 | H33 | 180.0° | 60.0° |
| C30 | C31 | C32 | H34 | 60.0° | 60.0° |
| C30 | C31 | C32 | H35 | 60.0° | 180.0° |
| C33 | C29 | C30 | H29 | 162.6° | 65.0° |
| C33 | C29 | C30 | H30 | 78.3° | 55.0° |
| C33 | C29 | N28 | H49 | 150.7° | 25.1° |
| C29 | C33 | N34 | H50 | 0.4° | 0.0° |
| C43 | C35 | C36 | H37 | 62.7° | 64.9° |
| C43 | C35 | C36 | H38 | 177.9° | 55.0° |
| C43 | C35 | N34 | H50 | 116.5° | 95.0° |
| C35 | C43 | O45 | H51 | 180.0° | 180.0° |
| O45 | C43 | C35 | H36 | 3.4° | 60.0° |
| C40 | C41 | C42 | H42 | 180.0° | 179.9° |
| C41 | C40 | C39 | H40 | 179.4° | 179.8° |
| C40 | C41 | C42 | H43 | 179.7° | 179.9° |
| O46 | C33 | C29 | H28 | 4.3° | 120.0° |
| O46 | C33 | N34 | H50 | 179.5° | 180.0° |
| C20 | C19 | C18 | H18 | 179.0° | 180.0° |
| C55 | N54 | C53 | H45 | 179.7° | 180.0° |
| C42 | C41 | C40 | H41 | 179.4° | 180.0° |
| C32 | C31 | C30 | H29 | 36.6° | 59.9° |
| C32 | C31 | C30 | H30 | 155.7° | 60.0° |
| C32 | C31 | H31 | H32 | 118.2° | 120.0° |
| C31 | C32 | H33 | H34 | 120.0° | 120.0° |
| C31 | C32 | H33 | H35 | 120.0° | 120.0° |
| C31 | C32 | H34 | H35 | 120.0° | 120.0° |
| H1 | C04 | C05 | H2 | 104.1° | 60.0° |
| H1 | C04 | N03 | H47 | 170.8° | 145.0° |
| H2 | C05 | C06 | H3 | 61.9° | 60.0° |
| H2 | C05 | C06 | H4 | 177.8° | 180.0° |
| H2 | C05 | C10 | H11 | 179.6° | 60.0° |
| H2 | C05 | C10 | H12 | 60.4° | 180.0° |
| H3 | C06 | C07 | H5 | 55.6° | 60.0° |
| H3 | C06 | C07 | H6 | 63.9° | 59.9° |
| H4 | C06 | C07 | H5 | 175.8° | 60.1° |
| H4 | C06 | C07 | H6 | 56.4° | 180.0° |
| H5 | C07 | C08 | H7 | 172.4° | 60.0° |
| H5 | C07 | C08 | H8 | 53.6° | 60.0° |
| H6 | C07 | C08 | H7 | 52.9° | 180.0° |
| H6 | C07 | C08 | H8 | 65.8° | 60.1° |
| H7 | C08 | C09 | H9 | 50.9° | 180.0° |
| H7 | C08 | C09 | H10 | 170.3° | 60.0° |
| H8 | C08 | C09 | H9 | 67.8° | 59.9° |
| H8 | C08 | C09 | H10 | 51.5° | 60.1° |
| H9 | C09 | C10 | H11 | 52.6° | 60.1° |
| H9 | C09 | C10 | H12 | 67.3° | 180.0° |
| H10 | C09 | C10 | H11 | 172.0° | 60.0° |
| H10 | C09 | C10 | H12 | 52.1° | 60.0° |
| H13 | C13 | C14 | H14 | 149.4° | 174.3° |
| H13 | C13 | C14 | H15 | 91.1° | 65.7° |
| H13 | C13 | N12 | H48 | 164.0° | 145.0° |
| H16 | C16 | C17 | H17 | 0.5° | 0.1° |
| H17 | C17 | C18 | H18 | 0.5° | 0.0° |
| H18 | C18 | C19 | H19 | 0.9° | 0.0° |
| H19 | C19 | C20 | H20 | 0.4° | 0.1° |
| H21 | C23 | C24 | H23 | 13.5° | 160.1° |
| H21 | C23 | C24 | H24 | 134.4° | 36.2° |
| H22 | C23 | C24 | H23 | 106.7° | 37.7° |
| H22 | C23 | C24 | H24 | 14.1° | 86.1° |
| H23 | C24 | C25 | H25 | 108.6° | 35.8° |
| H23 | C24 | C25 | H26 | 12.5° | 159.0° |
| H24 | C24 | C25 | H25 | 12.3° | 88.0° |
| H24 | C24 | C25 | H26 | 133.4° | 35.1° |
| H25 | C25 | C26 | H27 | 5.3° | 99.9° |
| H26 | C25 | C26 | H27 | 126.3° | 23.1° |
| H28 | C29 | C30 | H29 | 48.6° | 175.1° |
| H28 | C29 | C30 | H30 | 167.7° | 65.0° |
| H28 | C29 | N28 | H49 | 34.1° | 145.1° |
| H29 | C30 | C31 | H31 | 84.0° | 180.0° |
| H29 | C30 | C31 | H32 | 157.1° | 60.1° |
| H30 | C30 | C31 | H31 | 35.1° | 60.1° |
| H30 | C30 | C31 | H32 | 83.8° | 180.0° |
| H31 | C31 | C32 | H33 | 59.4° | 180.0° |
| H31 | C31 | C32 | H34 | 179.4° | 60.0° |
| H31 | C31 | C32 | H35 | 60.6° | 60.0° |
| H32 | C31 | C32 | H33 | 59.4° | 60.0° |
| H32 | C31 | C32 | H34 | 60.6° | 180.0° |
| H32 | C31 | C32 | H35 | 179.4° | 60.0° |
| H33 | C32 | H34 | H35 | 120.0° | 119.9° |
| H36 | C35 | C36 | H37 | 177.0° | 174.9° |
| H36 | C35 | C36 | H38 | 57.5° | 65.1° |
| H36 | C35 | N34 | H50 | 121.1° | 145.0° |
| H39 | C38 | C39 | H40 | 0.1° | 0.1° |
| H40 | C39 | C40 | H41 | 0.6° | 0.0° |
| H41 | C40 | C41 | H42 | 0.6° | 0.1° |
| H42 | C41 | C42 | H43 | 0.3° | 0.1° |
| H44 | C52 | C53 | H45 | 0.3° | 0.1° |
