J1T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O65 | C64 | sing | 1.43Å | 1.49Å | |
| O65 | C66 | sing | 1.43Å | 1.46Å | |
| C64 | C63 | sing | 1.53Å | 1.52Å | |
| C66 | C67 | sing | 1.53Å | 1.55Å | |
| C63 | N62 | sing | 1.47Å | 1.48Å | |
| C67 | N62 | sing | 1.47Å | 1.48Å | |
| N62 | C61 | sing | 1.47Å | 1.47Å | |
| C61 | C52 | sing | 1.53Å | 1.54Å | |
| C52 | C51 | sing | 1.53Å | 1.54Å | |
| C51 | C53 | sing | 1.53Å | 1.54Å | |
| C51 | N50 | sing | 1.46Å | 1.47Å | |
| C53 | S54 | sing | 1.81Å | 1.83Å | |
| S54 | C55 | sing | 1.76Å | 1.82Å | |
| N50 | C40 | sing | 1.40Å | 1.40Å | |
| F46 | C44 | sing | 1.40Å | 1.33Å | |
| F45 | C44 | sing | 1.40Å | 1.34Å | |
| C40 | C39 | doub | 1.39Å | 1.40Å | Aromatic |
| C40 | C41 | sing | 1.39Å | 1.38Å | Aromatic |
| C39 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| O48 | S43 | doub | 1.42Å | 1.47Å | |
| C44 | S43 | sing | 1.81Å | 1.83Å | |
| C44 | F47 | sing | 1.40Å | 1.34Å | |
| C55 | C56 | doub | 1.39Å | 1.40Å | Aromatic |
| C55 | C60 | sing | 1.39Å | 1.40Å | Aromatic |
| C56 | C57 | sing | 1.38Å | 1.40Å | Aromatic |
| S43 | C41 | sing | 1.76Å | 1.74Å | |
| S43 | O49 | doub | 1.42Å | 1.50Å | |
| C60 | C59 | doub | 1.38Å | 1.40Å | Aromatic |
| C41 | C42 | doub | 1.38Å | 1.38Å | Aromatic |
| C38 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C57 | C58 | doub | 1.38Å | 1.39Å | Aromatic |
| C42 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | S34 | sing | 1.76Å | 1.72Å | |
| C59 | C58 | sing | 1.38Å | 1.40Å | Aromatic |
| O36 | S34 | doub | 1.42Å | 1.51Å | |
| O33 | C31 | doub | 1.22Å | 1.22Å | |
| S34 | O35 | doub | 1.42Å | 1.49Å | |
| S34 | N32 | sing | 1.66Å | 1.55Å | |
| C31 | N32 | sing | 1.35Å | 1.31Å | |
| C31 | C5 | sing | 1.48Å | 1.52Å | |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.48Å | 1.48Å | |
| C12 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| O30 | C29 | sing | 1.44Å | 1.47Å | |
| O30 | C26 | sing | 1.37Å | 1.40Å | |
| C29 | O28 | sing | 1.44Å | 1.47Å | |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C13 | sing | 1.51Å | 1.53Å | |
| C23 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C15 | sing | 1.51Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| O28 | C27 | sing | 1.37Å | 1.39Å | |
| C15 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| N16 | C14 | sing | 1.47Å | 1.46Å | |
| N16 | C20 | sing | 1.47Å | 1.47Å | |
| N16 | C17 | sing | 1.48Å | 1.47Å | |
| C21 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | O24 | sing | 1.36Å | 1.36Å | |
| C20 | C19 | sing | 1.54Å | 1.53Å | |
| C17 | C18 | sing | 1.55Å | 1.53Å | |
| O24 | C25 | sing | 1.43Å | 1.45Å | |
| C18 | C19 | sing | 1.55Å | 1.54Å | |
| C63 | H1 | sing | 1.09Å | 1.10Å | |
| C63 | H2 | sing | 1.09Å | 1.10Å | |
| C64 | H3 | sing | 1.09Å | 1.10Å | |
| C64 | H4 | sing | 1.09Å | 1.10Å | |
| C66 | H5 | sing | 1.09Å | 1.10Å | |
| C66 | H6 | sing | 1.09Å | 1.10Å | |
| C67 | H7 | sing | 1.09Å | 1.10Å | |
| C67 | H8 | sing | 1.09Å | 1.10Å | |
| C61 | H10 | sing | 1.09Å | 1.10Å | |
| C61 | H11 | sing | 1.09Å | 1.10Å | |
| C52 | H12 | sing | 1.09Å | 1.10Å | |
| C52 | H13 | sing | 1.09Å | 1.10Å | |
| C51 | H14 | sing | 1.09Å | 1.10Å | |
| C53 | H15 | sing | 1.09Å | 1.10Å | |
| C53 | H16 | sing | 1.09Å | 1.10Å | |
| C56 | H17 | sing | 1.08Å | 1.08Å | |
| C57 | H18 | sing | 1.08Å | 1.08Å | |
| C58 | H19 | sing | 1.08Å | 1.08Å | |
| C59 | H20 | sing | 1.08Å | 1.08Å | |
| C60 | H21 | sing | 1.08Å | 1.08Å | |
| N50 | H22 | sing | 0.97Å | 1.00Å | |
| C42 | H23 | sing | 1.08Å | 1.08Å | |
| C39 | H24 | sing | 1.08Å | 1.08Å | |
| C38 | H25 | sing | 1.08Å | 1.08Å | |
| N32 | H26 | sing | 0.97Å | 1.00Å | |
| C6 | H27 | sing | 1.08Å | 1.08Å | |
| C1 | H28 | sing | 1.08Å | 1.08Å | |
| C4 | H29 | sing | 1.08Å | 1.08Å | |
| C3 | H30 | sing | 1.08Å | 1.08Å | |
| C12 | H31 | sing | 1.08Å | 1.08Å | |
| C11 | H32 | sing | 1.08Å | 1.08Å | |
| C8 | H33 | sing | 1.08Å | 1.08Å | |
| C9 | H34 | sing | 1.08Å | 1.08Å | |
| C13 | H35 | sing | 1.09Å | 1.10Å | |
| C14 | H36 | sing | 1.09Å | 1.10Å | |
| C14 | H37 | sing | 1.09Å | 1.10Å | |
| C17 | H39 | sing | 1.09Å | 1.10Å | |
| C17 | H40 | sing | 1.09Å | 1.10Å | |
| C18 | H41 | sing | 1.09Å | 1.10Å | |
| C18 | H42 | sing | 1.09Å | 1.10Å | |
| C19 | H43 | sing | 1.09Å | 1.10Å | |
| C19 | H44 | sing | 1.09Å | 1.10Å | |
| C20 | H45 | sing | 1.09Å | 1.10Å | |
| C20 | H46 | sing | 1.09Å | 1.10Å | |
| C23 | H47 | sing | 1.08Å | 1.08Å | |
| C29 | H48 | sing | 1.09Å | 1.10Å | |
| C29 | H49 | sing | 1.09Å | 1.10Å | |
| C22 | H50 | sing | 1.08Å | 1.08Å | |
| C25 | H51 | sing | 1.09Å | 1.10Å | |
| C25 | H52 | sing | 1.09Å | 1.10Å | |
| C25 | H53 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C64 | O65 | C66 | 117.2° | 113.7° |
| O65 | C64 | C63 | 115.0° | 109.3° |
| O65 | C64 | H3 | 108.1° | 109.5° |
| O65 | C64 | H4 | 108.1° | 109.6° |
| O65 | C66 | C67 | 115.9° | 109.3° |
| O65 | C66 | H5 | 107.8° | 109.4° |
| O65 | C66 | H6 | 107.8° | 109.5° |
| C64 | C63 | N62 | 114.4° | 109.2° |
| C64 | C63 | H1 | 108.2° | 109.5° |
| C64 | C63 | H2 | 108.2° | 109.5° |
| C63 | C64 | H3 | 108.0° | 109.5° |
| C63 | C64 | H4 | 108.1° | 109.4° |
| C66 | C67 | N62 | 111.8° | 109.3° |
| C67 | C66 | H5 | 107.8° | 109.5° |
| C67 | C66 | H6 | 107.8° | 109.6° |
| C66 | C67 | H7 | 108.9° | 109.5° |
| C66 | C67 | H8 | 108.9° | 109.5° |
| C63 | N62 | C67 | 115.5° | 110.8° |
| C63 | N62 | C61 | 105.8° | 111.0° |
| N62 | C63 | H1 | 108.2° | 109.5° |
| N62 | C63 | H2 | 108.3° | 109.5° |
| C67 | N62 | C61 | 111.3° | 111.0° |
| N62 | C67 | H7 | 108.9° | 109.5° |
| N62 | C67 | H8 | 108.9° | 109.5° |
| N62 | C61 | C52 | 107.8° | 109.5° |
| N62 | C61 | H10 | 109.9° | 109.4° |
| N62 | C61 | H11 | 109.9° | 109.5° |
| C61 | C52 | C51 | 115.1° | 109.5° |
| C52 | C61 | H10 | 109.9° | 109.5° |
| C52 | C61 | H11 | 109.9° | 109.4° |
| C61 | C52 | H12 | 108.0° | 109.4° |
| C61 | C52 | H13 | 108.1° | 109.4° |
| C52 | C51 | C53 | 115.4° | 109.4° |
| C52 | C51 | N50 | 109.1° | 109.5° |
| C51 | C52 | H12 | 108.1° | 109.5° |
| C51 | C52 | H13 | 108.0° | 109.5° |
| C52 | C51 | H14 | 108.2° | 109.5° |
| C53 | C51 | N50 | 106.8° | 109.4° |
| C51 | C53 | S54 | 106.5° | 109.5° |
| C53 | C51 | H14 | 108.1° | 109.5° |
| C51 | C53 | H15 | 110.2° | 109.5° |
| C51 | C53 | H16 | 110.2° | 109.5° |
| C51 | N50 | C40 | 117.1° | 120.0° |
| N50 | C51 | H14 | 109.1° | 109.5° |
| C51 | N50 | H22 | 107.5° | 120.0° |
| C53 | S54 | C55 | 101.7° | 103.0° |
| S54 | C53 | H15 | 110.2° | 109.5° |
| S54 | C53 | H16 | 110.2° | 109.4° |
| S54 | C55 | C56 | 118.4° | 120.1° |
| S54 | C55 | C60 | 127.5° | 120.1° |
| N50 | C40 | C39 | 122.8° | 120.1° |
| N50 | C40 | C41 | 116.7° | 120.1° |
| C40 | N50 | H22 | 107.5° | 120.0° |
| F46 | C44 | F45 | 113.9° | 109.5° |
| F46 | C44 | S43 | 103.3° | 109.5° |
| F46 | C44 | F47 | 109.1° | 109.4° |
| F45 | C44 | S43 | 114.7° | 109.5° |
| F45 | C44 | F47 | 106.3° | 109.5° |
| C39 | C40 | C41 | 120.5° | 119.8° |
| C40 | C39 | C38 | 120.5° | 119.9° |
| C40 | C39 | H24 | 119.7° | 120.1° |
| C40 | C41 | S43 | 120.6° | 120.0° |
| C40 | C41 | C42 | 120.6° | 120.0° |
| C39 | C38 | C37 | 116.7° | 120.1° |
| C38 | C39 | H24 | 119.7° | 120.0° |
| C39 | C38 | H25 | 121.7° | 120.0° |
| O48 | S43 | C44 | 110.5° | 110.5° |
| O48 | S43 | C41 | 108.3° | 104.3° |
| O48 | S43 | O49 | 117.9° | 121.0° |
| S43 | C44 | F47 | 109.4° | 109.4° |
| C44 | S43 | C41 | 104.2° | 104.5° |
| C44 | S43 | O49 | 108.5° | 110.5° |
| C56 | C55 | C60 | 114.1° | 119.8° |
| C55 | C56 | C57 | 124.0° | 119.9° |
| C55 | C56 | H17 | 118.0° | 120.0° |
| C55 | C60 | C59 | 122.3° | 119.9° |
| C55 | C60 | H21 | 118.8° | 120.0° |
| C56 | C57 | C58 | 121.2° | 120.1° |
| C57 | C56 | H17 | 118.0° | 120.0° |
| C56 | C57 | H18 | 119.4° | 120.0° |
| C41 | S43 | O49 | 106.6° | 104.3° |
| S43 | C41 | C42 | 118.8° | 120.0° |
| C60 | C59 | C58 | 122.7° | 120.1° |
| C60 | C59 | H20 | 118.7° | 120.0° |
| C59 | C60 | H21 | 118.8° | 120.0° |
| C41 | C42 | C37 | 117.7° | 120.1° |
| C41 | C42 | H23 | 121.1° | 120.0° |
| C38 | C37 | C42 | 124.0° | 120.1° |
| C38 | C37 | S34 | 122.2° | 120.0° |
| C37 | C38 | H25 | 121.6° | 120.0° |
| C57 | C58 | C59 | 115.7° | 120.2° |
| C58 | C57 | H18 | 119.4° | 120.0° |
| C57 | C58 | H19 | 122.2° | 119.9° |
| C42 | C37 | S34 | 113.8° | 119.9° |
| C37 | C42 | H23 | 121.2° | 119.9° |
| C37 | S34 | O36 | 108.0° | 106.4° |
| C37 | S34 | O35 | 106.3° | 106.4° |
| C37 | S34 | N32 | 112.6° | 107.2° |
| C59 | C58 | H19 | 122.2° | 120.0° |
| C58 | C59 | H20 | 118.6° | 119.9° |
| O36 | S34 | O35 | 104.2° | 123.1° |
| O36 | S34 | N32 | 116.1° | 106.4° |
| O33 | C31 | N32 | 116.1° | 120.0° |
| O33 | C31 | C5 | 127.4° | 119.9° |
| O35 | S34 | N32 | 108.9° | 106.4° |
| S34 | N32 | C31 | 116.7° | 120.0° |
| S34 | N32 | H26 | 121.7° | 120.0° |
| N32 | C31 | C5 | 115.8° | 120.0° |
| C31 | N32 | H26 | 121.6° | 120.0° |
| C31 | C5 | C4 | 121.7° | 120.0° |
| C31 | C5 | C6 | 120.6° | 120.1° |
| C5 | C4 | C3 | 121.3° | 120.0° |
| C4 | C5 | C6 | 117.7° | 119.9° |
| C5 | C4 | H29 | 119.4° | 120.0° |
| C4 | C3 | C2 | 120.2° | 120.0° |
| C3 | C4 | H29 | 119.3° | 120.0° |
| C4 | C3 | H30 | 119.9° | 120.0° |
| C5 | C6 | C1 | 121.5° | 120.0° |
| C5 | C6 | H27 | 119.2° | 119.9° |
| C3 | C2 | C1 | 118.8° | 120.0° |
| C3 | C2 | C7 | 123.0° | 120.0° |
| C2 | C3 | H30 | 119.9° | 120.0° |
| C6 | C1 | C2 | 120.4° | 120.1° |
| C1 | C6 | H27 | 119.2° | 120.1° |
| C6 | C1 | H28 | 119.8° | 120.0° |
| C1 | C2 | C7 | 118.2° | 120.0° |
| C2 | C1 | H28 | 119.8° | 120.0° |
| C2 | C7 | C12 | 118.2° | 120.1° |
| C2 | C7 | C8 | 124.7° | 120.1° |
| C7 | C12 | C11 | 120.4° | 119.8° |
| C12 | C7 | C8 | 117.1° | 119.8° |
| C7 | C12 | H31 | 119.8° | 120.1° |
| C12 | C11 | C10 | 121.6° | 120.2° |
| C11 | C12 | H31 | 119.8° | 120.1° |
| C12 | C11 | H32 | 119.2° | 119.9° |
| C7 | C8 | C9 | 123.5° | 119.9° |
| C7 | C8 | H33 | 118.2° | 120.1° |
| C11 | C10 | C9 | 119.1° | 120.2° |
| C11 | C10 | C13 | 118.4° | 119.9° |
| C10 | C11 | H32 | 119.2° | 119.9° |
| C29 | O30 | C26 | 102.6° | 105.5° |
| O30 | C29 | O28 | 100.7° | 103.8° |
| O30 | C29 | H48 | 111.6° | 110.6° |
| O30 | C29 | H49 | 111.6° | 110.6° |
| O30 | C26 | C23 | 129.7° | 131.5° |
| O30 | C26 | C27 | 110.5° | 108.6° |
| C29 | O28 | C27 | 105.3° | 105.5° |
| O28 | C29 | H48 | 111.6° | 110.5° |
| O28 | C29 | H49 | 111.6° | 110.6° |
| C8 | C9 | C10 | 118.4° | 120.1° |
| C9 | C8 | H33 | 118.3° | 120.0° |
| C8 | C9 | H34 | 120.8° | 120.0° |
| C9 | C10 | C13 | 122.5° | 119.9° |
| C10 | C9 | H34 | 120.8° | 119.9° |
| C10 | C13 | C15 | 104.1° | 109.5° |
| C10 | C13 | C14 | 118.5° | 109.5° |
| C10 | C13 | H35 | 105.9° | 109.4° |
| C26 | C23 | C15 | 118.1° | 120.1° |
| C23 | C26 | C27 | 119.8° | 119.9° |
| C26 | C23 | H47 | 120.9° | 119.9° |
| C23 | C15 | C13 | 112.2° | 120.0° |
| C23 | C15 | C21 | 121.1° | 120.1° |
| C15 | C23 | H47 | 121.0° | 120.0° |
| C26 | C27 | O28 | 106.2° | 108.6° |
| C26 | C27 | C22 | 123.5° | 119.9° |
| C15 | C13 | C14 | 115.3° | 109.5° |
| C13 | C15 | C21 | 126.7° | 119.9° |
| C15 | C13 | H35 | 106.0° | 109.5° |
| C13 | C14 | N16 | 104.9° | 109.5° |
| C14 | C13 | H35 | 106.1° | 109.4° |
| C13 | C14 | H36 | 110.6° | 109.5° |
| C13 | C14 | H37 | 110.6° | 109.4° |
| O28 | C27 | C22 | 130.3° | 131.5° |
| C15 | C21 | C22 | 121.4° | 120.0° |
| C15 | C21 | O24 | 121.0° | 120.0° |
| C27 | C22 | C21 | 116.1° | 120.0° |
| C27 | C22 | H50 | 122.0° | 120.0° |
| C14 | N16 | C20 | 108.2° | 111.0° |
| C14 | N16 | C17 | 106.9° | 111.0° |
| N16 | C14 | H36 | 110.6° | 109.5° |
| N16 | C14 | H37 | 110.6° | 109.5° |
| C20 | N16 | C17 | 109.7° | 108.6° |
| N16 | C20 | C19 | 97.3° | 107.2° |
| N16 | C20 | H45 | 112.4° | 110.0° |
| N16 | C20 | H46 | 112.4° | 109.9° |
| N16 | C17 | C18 | 102.4° | 104.8° |
| N16 | C17 | H39 | 111.2° | 110.3° |
| N16 | C17 | H40 | 111.2° | 110.4° |
| C22 | C21 | O24 | 117.6° | 120.0° |
| C21 | C22 | H50 | 122.0° | 120.0° |
| C21 | O24 | C25 | 118.7° | 117.0° |
| C20 | C19 | C18 | 102.8° | 103.0° |
| C20 | C19 | H43 | 111.1° | 110.8° |
| C20 | C19 | H44 | 111.1° | 110.9° |
| C19 | C20 | H45 | 112.4° | 109.9° |
| C19 | C20 | H46 | 112.4° | 109.8° |
| C17 | C18 | C19 | 105.1° | 101.6° |
| C18 | C17 | H39 | 111.2° | 110.4° |
| C18 | C17 | H40 | 111.2° | 110.3° |
| C17 | C18 | H41 | 110.5° | 111.0° |
| C17 | C18 | H42 | 110.6° | 111.0° |
| O24 | C25 | H51 | 109.5° | 109.5° |
| O24 | C25 | H52 | 109.4° | 109.5° |
| O24 | C25 | H53 | 109.4° | 109.5° |
| C19 | C18 | H41 | 110.6° | 110.9° |
| C19 | C18 | H42 | 110.6° | 111.0° |
| C18 | C19 | H43 | 111.1° | 110.7° |
| C18 | C19 | H44 | 111.1° | 110.7° |
| H1 | C63 | H2 | 109.5° | 109.6° |
| H3 | C64 | H4 | 109.5° | 109.5° |
| H5 | C66 | H6 | 109.5° | 109.5° |
| H7 | C67 | H8 | 109.5° | 109.5° |
| H10 | C61 | H11 | 109.5° | 109.5° |
| H12 | C52 | H13 | 109.5° | 109.5° |
| H15 | C53 | H16 | 109.5° | 109.5° |
| H36 | C14 | H37 | 109.5° | 109.4° |
| H39 | C17 | H40 | 109.5° | 110.4° |
| H41 | C18 | H42 | 109.5° | 110.9° |
| H43 | C19 | H44 | 109.5° | 110.6° |
| H45 | C20 | H46 | 109.5° | 110.0° |
| H48 | C29 | H49 | 109.5° | 110.6° |
| H51 | C25 | H52 | 109.5° | 109.5° |
| H51 | C25 | H53 | 109.5° | 109.5° |
| H52 | C25 | H53 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O65 | C64 | C63 | H3 | 120.8° | 120.0° |
| O65 | C64 | C63 | H4 | 120.8° | 120.0° |
| C64 | O65 | C66 | C67 | 37.8° | 58.6° |
| O65 | C64 | C63 | N62 | 40.6° | 56.9° |
| O65 | C64 | C63 | H1 | 80.1° | 63.0° |
| O65 | C64 | C63 | H2 | 161.4° | 176.8° |
| O65 | C64 | H3 | H4 | 117.5° | 120.2° |
| C64 | O65 | C66 | H5 | 83.1° | 61.3° |
| C64 | O65 | C66 | H6 | 158.7° | 178.6° |
| C66 | O65 | C64 | C63 | 36.2° | 58.7° |
| O65 | C66 | C67 | H5 | 120.9° | 119.9° |
| O65 | C66 | C67 | H6 | 120.9° | 120.0° |
| O65 | C66 | C67 | N62 | 43.2° | 56.8° |
| C66 | O65 | C64 | H3 | 157.0° | 61.3° |
| C66 | O65 | C64 | H4 | 84.7° | 178.6° |
| O65 | C66 | H5 | H6 | 117.1° | 120.1° |
| O65 | C66 | C67 | H7 | 163.5° | 176.8° |
| O65 | C66 | C67 | H8 | 77.2° | 63.1° |
| C64 | C63 | N62 | H1 | 120.7° | 119.9° |
| C64 | C63 | N62 | H2 | 120.7° | 119.9° |
| C64 | C63 | N62 | C67 | 48.7° | 58.6° |
| C64 | C63 | N62 | C61 | 172.3° | 177.6° |
| C64 | C63 | H1 | H2 | 117.7° | 120.2° |
| C63 | C64 | H3 | H4 | 117.5° | 120.0° |
| C66 | C67 | N62 | C63 | 48.8° | 58.6° |
| C66 | C67 | N62 | H7 | 120.3° | 120.0° |
| C66 | C67 | N62 | H8 | 120.4° | 119.9° |
| C66 | C67 | N62 | C61 | 169.5° | 177.6° |
| C67 | C66 | H5 | H6 | 117.0° | 120.2° |
| C66 | C67 | H7 | H8 | 118.9° | 120.1° |
| C63 | N62 | C67 | C61 | 120.7° | 123.8° |
| C63 | N62 | C61 | C52 | 151.4° | 170.0° |
| N62 | C63 | H1 | H2 | 117.8° | 120.1° |
| N62 | C63 | C64 | H3 | 161.4° | 63.1° |
| N62 | C63 | C64 | H4 | 80.2° | 176.9° |
| C63 | N62 | C67 | H7 | 169.1° | 178.6° |
| C63 | N62 | C67 | H8 | 71.6° | 61.3° |
| C63 | N62 | C61 | H10 | 88.8° | 70.0° |
| C63 | N62 | C61 | H11 | 31.7° | 50.0° |
| C67 | N62 | C61 | C52 | 82.3° | 66.3° |
| C67 | N62 | C63 | H1 | 72.1° | 61.3° |
| C67 | N62 | C63 | H2 | 169.4° | 178.5° |
| N62 | C67 | C66 | H5 | 77.7° | 63.1° |
| N62 | C67 | C66 | H6 | 164.1° | 176.8° |
| N62 | C67 | H7 | H8 | 118.9° | 120.1° |
| C67 | N62 | C61 | H10 | 37.4° | 53.7° |
| C67 | N62 | C61 | H11 | 157.9° | 173.7° |
| N62 | C61 | C52 | H10 | 119.8° | 120.0° |
| N62 | C61 | C52 | H11 | 119.7° | 120.0° |
| N62 | C61 | C52 | C51 | 149.3° | 180.0° |
| C61 | N62 | C63 | H1 | 51.6° | 62.5° |
| C61 | N62 | C63 | H2 | 67.0° | 57.7° |
| C61 | N62 | C67 | H7 | 70.2° | 57.6° |
| C61 | N62 | C67 | H8 | 49.1° | 62.5° |
| N62 | C61 | H10 | H11 | 120.8° | 120.0° |
| N62 | C61 | C52 | H12 | 28.5° | 60.0° |
| N62 | C61 | C52 | H13 | 89.9° | 60.0° |
| C61 | C52 | C51 | H12 | 120.8° | 120.0° |
| C61 | C52 | C51 | H13 | 120.8° | 120.0° |
| C61 | C52 | C51 | C53 | 70.9° | 175.0° |
| C61 | C52 | C51 | N50 | 168.9° | 65.0° |
| C52 | C61 | H10 | H11 | 120.8° | 120.0° |
| C61 | C52 | H12 | H13 | 117.5° | 120.0° |
| C61 | C52 | C51 | H14 | 50.4° | 55.0° |
| C52 | C51 | C53 | N50 | 121.5° | 120.0° |
| C52 | C51 | C53 | H14 | 121.3° | 120.1° |
| C52 | C51 | N50 | H14 | 117.9° | 120.1° |
| C52 | C51 | C53 | S54 | 59.5° | 180.0° |
| C52 | C51 | N50 | C40 | 170.2° | 85.0° |
| C51 | C52 | C61 | H10 | 90.9° | 60.0° |
| C51 | C52 | C61 | H11 | 29.6° | 60.0° |
| C51 | C52 | H12 | H13 | 117.5° | 120.1° |
| C52 | C51 | C53 | H15 | 60.1° | 60.0° |
| C52 | C51 | C53 | H16 | 179.0° | 60.0° |
| C52 | C51 | N50 | H22 | 49.1° | 95.0° |
| C53 | C51 | N50 | H14 | 116.6° | 120.0° |
| C51 | C53 | S54 | H15 | 119.5° | 120.0° |
| C51 | C53 | S54 | H16 | 119.5° | 120.0° |
| C51 | C53 | S54 | C55 | 103.7° | 180.0° |
| C53 | C51 | N50 | C40 | 64.4° | 155.0° |
| C53 | C51 | C52 | H12 | 168.3° | 65.0° |
| C53 | C51 | C52 | H13 | 49.9° | 55.1° |
| C51 | C53 | H15 | H16 | 121.4° | 120.0° |
| C53 | C51 | N50 | H22 | 174.5° | 24.9° |
| N50 | C51 | C53 | S54 | 62.0° | 60.0° |
| C51 | N50 | C40 | H22 | 121.1° | 180.0° |
| C51 | N50 | C40 | C39 | 1.0° | 0.0° |
| C51 | N50 | C40 | C41 | 179.1° | 179.7° |
| N50 | C51 | C52 | H12 | 48.1° | 54.9° |
| N50 | C51 | C52 | H13 | 70.3° | 175.0° |
| N50 | C51 | C53 | H15 | 178.5° | 60.0° |
| N50 | C51 | C53 | H16 | 57.5° | 180.0° |
| C53 | S54 | C55 | C56 | 141.6° | 180.0° |
| C53 | S54 | C55 | C60 | 38.8° | 0.3° |
| S54 | C53 | C51 | H14 | 179.3° | 59.9° |
| S54 | C53 | H15 | H16 | 121.4° | 119.9° |
| S54 | C55 | C56 | C60 | 179.7° | 179.7° |
| S54 | C55 | C56 | C57 | 180.0° | 180.0° |
| S54 | C55 | C60 | C59 | 179.7° | 179.6° |
| C55 | S54 | C53 | H15 | 136.8° | 60.0° |
| C55 | S54 | C53 | H16 | 15.8° | 60.0° |
| S54 | C55 | C56 | H17 | 0.0° | 0.1° |
| S54 | C55 | C60 | H21 | 0.3° | 0.0° |
| N50 | C40 | C39 | C41 | 179.9° | 179.7° |
| N50 | C40 | C39 | C38 | 179.7° | 180.0° |
| N50 | C40 | C41 | S43 | 0.2° | 0.1° |
| N50 | C40 | C41 | C42 | 179.8° | 180.0° |
| C40 | N50 | C51 | H14 | 52.3° | 35.0° |
| N50 | C40 | C39 | H24 | 0.3° | 0.0° |
| F46 | C44 | F45 | S43 | 118.7° | 120.1° |
| F46 | C44 | F45 | F47 | 120.2° | 120.0° |
| F46 | C44 | S43 | O48 | 72.1° | 171.6° |
| F46 | C44 | S43 | F47 | 116.1° | 120.0° |
| F46 | C44 | S43 | C41 | 44.0° | 60.0° |
| F46 | C44 | S43 | O49 | 157.2° | 51.7° |
| F45 | C44 | S43 | O48 | 52.4° | 68.3° |
| F45 | C44 | S43 | F47 | 119.3° | 120.0° |
| F45 | C44 | S43 | C41 | 168.5° | 180.0° |
| F45 | C44 | S43 | O49 | 78.2° | 68.4° |
| C40 | C39 | C38 | H24 | 180.0° | 180.0° |
| C39 | C40 | C41 | S43 | 179.9° | 179.8° |
| C39 | C40 | C41 | C42 | 0.1° | 0.3° |
| C40 | C39 | C38 | C37 | 0.2° | 0.0° |
| C39 | C40 | N50 | H22 | 120.1° | 180.0° |
| C40 | C39 | C38 | H25 | 179.8° | 180.0° |
| C41 | C40 | C39 | C38 | 0.2° | 0.3° |
| C40 | C41 | S43 | O48 | 36.2° | 51.1° |
| C40 | C41 | S43 | C44 | 81.4° | 65.0° |
| C40 | C41 | S43 | C42 | 180.0° | 179.9° |
| C40 | C41 | S43 | O49 | 163.9° | 178.9° |
| C40 | C41 | C42 | C37 | 0.0° | 0.0° |
| C41 | C40 | N50 | H22 | 59.8° | 0.2° |
| C40 | C41 | C42 | H23 | 180.0° | 180.0° |
| C41 | C40 | C39 | H24 | 179.9° | 179.7° |
| C39 | C38 | C37 | H25 | 180.0° | 180.0° |
| C39 | C38 | C37 | C42 | 0.1° | 0.3° |
| C39 | C38 | C37 | S34 | 179.9° | 180.0° |
| O48 | S43 | C44 | C41 | 116.1° | 111.7° |
| O48 | S43 | C44 | O49 | 130.6° | 136.7° |
| O48 | S43 | C44 | F47 | 171.8° | 51.7° |
| O48 | S43 | C41 | O49 | 127.8° | 127.8° |
| O48 | S43 | C41 | C42 | 143.9° | 129.0° |
| C44 | S43 | C41 | O49 | 114.6° | 116.1° |
| C44 | S43 | C41 | C42 | 98.5° | 115.0° |
| F47 | C44 | S43 | C41 | 72.1° | 60.0° |
| F47 | C44 | S43 | O49 | 41.1° | 171.6° |
| C55 | C56 | C57 | H17 | 180.0° | 179.9° |
| C56 | C55 | C60 | C59 | 0.0° | 0.7° |
| C55 | C56 | C57 | C58 | 0.2° | 0.0° |
| C55 | C56 | C57 | H18 | 179.8° | 180.0° |
| C56 | C55 | C60 | H21 | 179.9° | 179.7° |
| C60 | C55 | C56 | C57 | 0.3° | 0.3° |
| C55 | C60 | C59 | H21 | 180.0° | 179.6° |
| C55 | C60 | C59 | C58 | 0.3° | 0.7° |
| C60 | C55 | C56 | H17 | 179.7° | 179.8° |
| C55 | C60 | C59 | H20 | 179.7° | 179.7° |
| C56 | C57 | C58 | H18 | 180.0° | 180.0° |
| C56 | C57 | C58 | C59 | 0.1° | 0.0° |
| C56 | C57 | C58 | H19 | 179.9° | 180.0° |
| S43 | C41 | C42 | C37 | 180.0° | 179.9° |
| S43 | C41 | C42 | H23 | 0.0° | 0.0° |
| O49 | S43 | C41 | C42 | 16.1° | 1.1° |
| C60 | C59 | C58 | C57 | 0.4° | 0.3° |
| C60 | C59 | C58 | H20 | 180.0° | 179.7° |
| C60 | C59 | C58 | H19 | 179.6° | 179.6° |
| C41 | C42 | C37 | C38 | 0.0° | 0.3° |
| C41 | C42 | C37 | H23 | 180.0° | 180.0° |
| C41 | C42 | C37 | S34 | 179.8° | 180.0° |
| C38 | C37 | C42 | S34 | 179.8° | 179.7° |
| C38 | C37 | S34 | O36 | 30.2° | 156.7° |
| C38 | C37 | S34 | O35 | 141.5° | 23.8° |
| C38 | C37 | S34 | N32 | 99.3° | 89.7° |
| C38 | C37 | C42 | H23 | 180.0° | 179.8° |
| C37 | C38 | C39 | H24 | 179.9° | 180.0° |
| C57 | C58 | C59 | H19 | 180.0° | 180.0° |
| C58 | C57 | C56 | H17 | 179.8° | 179.9° |
| C57 | C58 | C59 | H20 | 179.6° | 180.0° |
| C42 | C37 | S34 | O36 | 149.6° | 23.6° |
| C42 | C37 | S34 | O35 | 38.3° | 156.5° |
| C42 | C37 | S34 | N32 | 80.9° | 90.0° |
| C42 | C37 | C38 | H25 | 179.9° | 179.7° |
| C37 | S34 | O36 | O35 | 112.8° | 123.0° |
| C37 | S34 | O36 | N32 | 127.5° | 114.1° |
| C37 | S34 | O35 | N32 | 121.6° | 114.1° |
| C37 | S34 | N32 | C31 | 68.1° | 65.0° |
| S34 | C37 | C42 | H23 | 0.2° | 0.0° |
| S34 | C37 | C38 | H25 | 0.1° | 0.0° |
| C37 | S34 | N32 | H26 | 111.9° | 115.0° |
| C59 | C58 | C57 | H18 | 179.9° | 180.0° |
| C58 | C59 | C60 | H21 | 179.7° | 179.7° |
| O36 | S34 | O35 | N32 | 124.4° | 122.9° |
| O36 | S34 | N32 | C31 | 57.1° | 178.6° |
| O36 | S34 | N32 | H26 | 122.9° | 1.5° |
| O33 | C31 | N32 | S34 | 3.4° | 0.0° |
| O33 | C31 | N32 | C5 | 171.4° | 180.0° |
| O33 | C31 | C5 | C4 | 0.9° | 179.7° |
| O33 | C31 | C5 | C6 | 179.4° | 0.0° |
| O33 | C31 | N32 | H26 | 176.6° | 180.0° |
| O35 | S34 | N32 | C31 | 174.2° | 48.6° |
| O35 | S34 | N32 | H26 | 5.8° | 131.4° |
| S34 | N32 | C31 | H26 | 180.0° | 180.0° |
| S34 | N32 | C31 | C5 | 174.9° | 180.0° |
| N32 | C31 | C5 | C4 | 169.4° | 0.3° |
| N32 | C31 | C5 | C6 | 10.3° | 180.0° |
| C31 | C5 | C4 | C6 | 179.7° | 179.7° |
| C31 | C5 | C4 | C3 | 180.0° | 180.0° |
| C31 | C5 | C6 | C1 | 179.9° | 180.0° |
| C5 | C31 | N32 | H26 | 5.1° | 0.0° |
| C31 | C5 | C6 | H27 | 0.2° | 0.0° |
| C31 | C5 | C4 | H29 | 0.0° | 0.0° |
| C5 | C4 | C3 | H29 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.3° | 0.0° |
| C4 | C5 | C6 | C1 | 0.2° | 0.3° |
| C4 | C5 | C6 | H27 | 179.8° | 179.7° |
| C5 | C4 | C3 | H30 | 179.7° | 180.0° |
| C3 | C4 | C5 | C6 | 0.4° | 0.3° |
| C4 | C3 | C2 | H30 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.0° | 0.3° |
| C4 | C3 | C2 | C7 | 179.6° | 180.0° |
| C5 | C6 | C1 | H27 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 0.1° | 0.0° |
| C5 | C6 | C1 | H28 | 179.9° | 180.0° |
| C6 | C5 | C4 | H29 | 179.6° | 179.7° |
| C3 | C2 | C1 | C6 | 0.2° | 0.3° |
| C3 | C2 | C1 | C7 | 179.5° | 179.7° |
| C3 | C2 | C7 | C12 | 18.7° | 0.3° |
| C3 | C2 | C7 | C8 | 161.8° | 180.0° |
| C3 | C2 | C1 | H28 | 179.8° | 179.7° |
| C2 | C3 | C4 | H29 | 179.7° | 180.0° |
| C6 | C1 | C2 | H28 | 180.0° | 180.0° |
| C6 | C1 | C2 | C7 | 179.8° | 180.0° |
| C1 | C2 | C7 | C12 | 160.8° | 180.0° |
| C1 | C2 | C7 | C8 | 18.7° | 0.3° |
| C2 | C1 | C6 | H27 | 179.9° | 180.0° |
| C1 | C2 | C3 | H30 | 180.0° | 179.7° |
| C2 | C7 | C12 | C8 | 179.5° | 179.7° |
| C2 | C7 | C12 | C11 | 179.6° | 180.0° |
| C2 | C7 | C8 | C9 | 179.8° | 179.9° |
| C7 | C2 | C1 | H28 | 0.2° | 0.0° |
| C7 | C2 | C3 | H30 | 0.5° | 0.0° |
| C2 | C7 | C12 | H31 | 0.4° | 0.0° |
| C2 | C7 | C8 | H33 | 0.2° | 0.0° |
| C7 | C12 | C11 | H31 | 180.0° | 180.0° |
| C7 | C12 | C11 | C10 | 0.3° | 0.1° |
| C12 | C7 | C8 | C9 | 0.3° | 0.2° |
| C7 | C12 | C11 | H32 | 179.7° | 180.0° |
| C12 | C7 | C8 | H33 | 179.7° | 179.7° |
| C11 | C12 | C7 | C8 | 0.1° | 0.3° |
| C12 | C11 | C10 | H32 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 0.5° | 0.2° |
| C12 | C11 | C10 | C13 | 179.9° | 180.0° |
| C7 | C8 | C9 | H33 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.1° | 0.0° |
| C8 | C7 | C12 | H31 | 179.9° | 179.8° |
| C7 | C8 | C9 | H34 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.3° | 0.3° |
| C11 | C10 | C9 | C13 | 179.3° | 179.8° |
| C11 | C10 | C13 | C15 | 110.5° | 110.9° |
| C11 | C10 | C13 | C14 | 119.9° | 129.0° |
| C10 | C11 | C12 | H31 | 179.8° | 180.0° |
| C11 | C10 | C9 | H34 | 179.7° | 179.7° |
| C11 | C10 | C13 | H35 | 1.0° | 9.1° |
| O30 | C29 | O28 | H48 | 118.6° | 118.6° |
| O30 | C29 | O28 | H49 | 118.5° | 118.6° |
| C29 | O30 | C26 | C23 | 156.7° | 162.7° |
| C29 | O30 | C26 | C27 | 23.2° | 17.3° |
| O30 | C29 | O28 | C27 | 36.8° | 27.2° |
| O30 | C29 | H48 | H49 | 124.0° | 122.9° |
| C26 | O30 | C29 | O28 | 35.5° | 27.2° |
| O30 | C26 | C23 | C27 | 179.9° | 179.9° |
| O30 | C26 | C23 | C15 | 180.0° | 180.0° |
| O30 | C26 | C27 | O28 | 0.1° | 0.1° |
| O30 | C26 | C27 | C22 | 179.8° | 180.0° |
| O30 | C26 | C23 | H47 | 0.0° | 0.0° |
| C26 | O30 | C29 | H48 | 83.1° | 145.7° |
| C26 | O30 | C29 | H49 | 154.1° | 91.4° |
| C29 | O28 | C27 | C26 | 23.5° | 17.3° |
| C29 | O28 | C27 | C22 | 156.4° | 162.7° |
| O28 | C29 | H48 | H49 | 124.1° | 122.8° |
| C8 | C9 | C10 | H34 | 180.0° | 180.0° |
| C8 | C9 | C10 | C13 | 179.7° | 179.9° |
| C9 | C10 | C13 | C15 | 68.9° | 69.3° |
| C9 | C10 | C13 | C14 | 60.8° | 50.8° |
| C9 | C10 | C11 | H32 | 179.5° | 179.8° |
| C10 | C9 | C8 | H33 | 179.9° | 180.0° |
| C9 | C10 | C13 | H35 | 179.6° | 170.7° |
| C10 | C13 | C15 | C23 | 88.2° | 63.9° |
| C10 | C13 | C15 | C14 | 131.5° | 120.0° |
| C10 | C13 | C15 | H35 | 111.5° | 120.0° |
| C10 | C13 | C14 | H35 | 118.8° | 119.9° |
| C10 | C13 | C15 | C21 | 91.7° | 115.7° |
| C10 | C13 | C14 | N16 | 103.9° | 175.0° |
| C13 | C10 | C11 | H32 | 0.1° | 0.1° |
| C13 | C10 | C9 | H34 | 0.3° | 0.1° |
| C10 | C13 | C14 | H36 | 15.4° | 54.9° |
| C10 | C13 | C14 | H37 | 136.8° | 65.0° |
| C26 | C23 | C15 | H47 | 180.0° | 179.9° |
| C26 | C23 | C15 | C13 | 180.0° | 180.0° |
| C23 | C26 | C27 | O28 | 180.0° | 180.0° |
| C26 | C23 | C15 | C21 | 0.0° | 0.4° |
| C23 | C26 | C27 | C22 | 0.1° | 0.1° |
| C15 | C23 | C26 | C27 | 0.1° | 0.1° |
| C23 | C15 | C13 | C21 | 180.0° | 179.7° |
| C23 | C15 | C13 | C14 | 140.2° | 56.1° |
| C23 | C15 | C21 | C22 | 0.2° | 0.6° |
| C23 | C15 | C21 | O24 | 180.0° | 179.7° |
| C23 | C15 | C13 | H35 | 23.2° | 176.1° |
| C26 | C27 | O28 | C22 | 179.9° | 179.9° |
| C26 | C27 | C22 | C21 | 0.3° | 0.3° |
| C27 | C26 | C23 | H47 | 179.9° | 180.0° |
| C26 | C27 | C22 | H50 | 179.7° | 180.0° |
| C15 | C13 | C14 | H35 | 116.9° | 120.0° |
| C15 | C13 | C14 | N16 | 131.8° | 65.0° |
| C13 | C15 | C21 | C22 | 179.8° | 179.7° |
| C13 | C15 | C21 | O24 | 0.0° | 0.0° |
| C15 | C13 | C14 | H36 | 108.9° | 175.0° |
| C15 | C13 | C14 | H37 | 12.5° | 55.0° |
| C13 | C15 | C23 | H47 | 0.0° | 0.0° |
| C14 | C13 | C15 | C21 | 39.8° | 124.2° |
| C13 | C14 | N16 | H36 | 119.3° | 120.1° |
| C13 | C14 | N16 | H37 | 119.3° | 120.0° |
| C13 | C14 | N16 | C20 | 140.6° | 170.0° |
| C13 | C14 | N16 | C17 | 101.3° | 69.1° |
| C13 | C14 | H36 | H37 | 122.1° | 120.0° |
| O28 | C27 | C22 | C21 | 179.8° | 179.8° |
| C27 | O28 | C29 | H48 | 81.8° | 145.8° |
| C27 | O28 | C29 | H49 | 155.3° | 91.4° |
| O28 | C27 | C22 | H50 | 0.2° | 0.0° |
| C15 | C21 | C22 | C27 | 0.3° | 0.5° |
| C15 | C21 | C22 | O24 | 179.8° | 179.7° |
| C15 | C21 | O24 | C25 | 136.4° | 180.0° |
| C21 | C15 | C13 | H35 | 156.8° | 4.3° |
| C21 | C15 | C23 | H47 | 179.9° | 179.7° |
| C15 | C21 | C22 | H50 | 179.7° | 179.7° |
| C27 | C22 | C21 | H50 | 180.0° | 179.7° |
| C27 | C22 | C21 | O24 | 179.9° | 179.7° |
| C14 | N16 | C20 | C17 | 116.2° | 122.3° |
| C14 | N16 | C20 | C19 | 70.6° | 123.2° |
| C14 | N16 | C17 | C18 | 89.6° | 146.4° |
| N16 | C14 | C13 | H35 | 14.9° | 55.0° |
| N16 | C14 | H36 | H37 | 122.1° | 120.0° |
| C14 | N16 | C17 | H39 | 29.3° | 27.5° |
| C14 | N16 | C17 | H40 | 151.5° | 94.8° |
| C14 | N16 | C20 | H45 | 171.5° | 117.3° |
| C14 | N16 | C20 | H46 | 47.4° | 3.9° |
| N16 | C20 | C19 | H45 | 118.0° | 119.5° |
| N16 | C20 | C19 | H46 | 118.0° | 119.3° |
| C20 | N16 | C17 | C18 | 27.5° | 24.1° |
| N16 | C20 | C19 | C18 | 44.4° | 22.3° |
| C20 | N16 | C14 | H36 | 21.3° | 50.0° |
| C20 | N16 | C14 | H37 | 100.2° | 70.0° |
| C20 | N16 | C17 | H39 | 146.4° | 94.8° |
| C20 | N16 | C17 | H40 | 91.4° | 142.9° |
| N16 | C20 | C19 | H43 | 163.3° | 96.1° |
| N16 | C20 | C19 | H44 | 74.5° | 140.7° |
| N16 | C20 | H45 | H46 | 125.7° | 121.1° |
| C17 | N16 | C20 | C19 | 45.7° | 0.9° |
| N16 | C17 | C18 | H39 | 118.8° | 118.8° |
| N16 | C17 | C18 | H40 | 118.9° | 118.8° |
| N16 | C17 | C18 | C19 | 2.9° | 37.1° |
| C17 | N16 | C14 | H36 | 139.4° | 170.8° |
| C17 | N16 | C14 | H37 | 18.0° | 50.9° |
| N16 | C17 | H39 | H40 | 123.3° | 122.3° |
| N16 | C17 | C18 | H41 | 122.2° | 155.1° |
| N16 | C17 | C18 | H42 | 116.5° | 81.0° |
| C17 | N16 | C20 | H45 | 72.3° | 120.4° |
| C17 | N16 | C20 | H46 | 163.6° | 118.4° |
| C22 | C21 | O24 | C25 | 43.8° | 0.3° |
| O24 | C21 | C22 | H50 | 0.1° | 0.0° |
| C21 | O24 | C25 | H51 | 180.0° | 60.0° |
| C21 | O24 | C25 | H52 | 60.0° | 180.0° |
| C21 | O24 | C25 | H53 | 60.0° | 60.0° |
| C20 | C19 | C18 | C17 | 30.1° | 35.7° |
| C20 | C19 | C18 | H43 | 119.0° | 118.4° |
| C20 | C19 | C18 | H44 | 118.9° | 118.5° |
| C20 | C19 | C18 | H41 | 149.4° | 153.8° |
| C20 | C19 | C18 | H42 | 89.2° | 82.4° |
| C20 | C19 | H43 | H44 | 123.1° | 123.3° |
| C19 | C20 | H45 | H46 | 125.7° | 121.1° |
| C17 | C18 | C19 | H41 | 119.3° | 118.1° |
| C17 | C18 | C19 | H42 | 119.3° | 118.1° |
| C18 | C17 | H39 | H40 | 123.3° | 122.3° |
| C17 | C18 | H41 | H42 | 122.0° | 123.9° |
| C17 | C18 | C19 | H43 | 149.0° | 82.7° |
| C17 | C18 | C19 | H44 | 88.8° | 154.2° |
| O24 | C25 | H51 | H52 | 120.0° | 120.0° |
| O24 | C25 | H51 | H53 | 120.0° | 120.0° |
| O24 | C25 | H52 | H53 | 120.0° | 120.0° |
| C19 | C18 | C17 | H39 | 116.0° | 81.7° |
| C19 | C18 | C17 | H40 | 121.7° | 155.9° |
| C19 | C18 | H41 | H42 | 122.0° | 123.9° |
| C18 | C19 | H43 | H44 | 123.1° | 123.1° |
| C18 | C19 | C20 | H45 | 73.6° | 97.1° |
| C18 | C19 | C20 | H46 | 162.3° | 141.7° |
| H1 | C63 | C64 | H3 | 40.7° | 177.0° |
| H1 | C63 | C64 | H4 | 159.1° | 57.0° |
| H2 | C63 | C64 | H3 | 77.8° | 56.8° |
| H2 | C63 | C64 | H4 | 40.6° | 63.2° |
| H5 | C66 | C67 | H7 | 42.6° | 56.9° |
| H5 | C66 | C67 | H8 | 161.9° | 177.0° |
| H6 | C66 | C67 | H7 | 75.5° | 63.2° |
| H6 | C66 | C67 | H8 | 43.8° | 56.9° |
| H10 | C61 | C52 | H12 | 148.3° | 180.0° |
| H10 | C61 | C52 | H13 | 29.9° | 60.0° |
| H11 | C61 | C52 | H12 | 91.3° | 60.0° |
| H11 | C61 | C52 | H13 | 150.4° | 180.0° |
| H12 | C52 | C51 | H14 | 70.4° | 175.0° |
| H13 | C52 | C51 | H14 | 171.2° | 65.0° |
| H14 | C51 | C53 | H15 | 61.2° | 179.9° |
| H14 | C51 | C53 | H16 | 59.8° | 60.0° |
| H14 | C51 | N50 | H22 | 68.9° | 144.9° |
| H17 | C56 | C57 | H18 | 0.2° | 0.1° |
| H18 | C57 | C58 | H19 | 0.1° | 0.0° |
| H19 | C58 | C59 | H20 | 0.4° | 0.0° |
| H20 | C59 | C60 | H21 | 0.3° | 0.1° |
| H24 | C39 | C38 | H25 | 0.1° | 0.0° |
| H27 | C6 | C1 | H28 | 0.1° | 0.0° |
| H29 | C4 | C3 | H30 | 0.3° | 0.0° |
| H31 | C12 | C11 | H32 | 0.3° | 0.0° |
| H33 | C8 | C9 | H34 | 0.0° | 0.0° |
| H35 | C13 | C14 | H36 | 134.2° | 65.0° |
| H35 | C13 | C14 | H37 | 104.4° | 175.0° |
| H39 | C17 | C18 | H41 | 3.3° | 36.3° |
| H39 | C17 | C18 | H42 | 124.7° | 160.2° |
| H40 | C17 | C18 | H41 | 119.0° | 86.1° |
| H40 | C17 | C18 | H42 | 2.4° | 37.8° |
| H41 | C18 | C19 | H43 | 91.7° | 35.3° |
| H41 | C18 | C19 | H44 | 30.5° | 87.7° |
| H42 | C18 | C19 | H43 | 29.7° | 159.2° |
| H42 | C18 | C19 | H44 | 151.8° | 36.1° |
| H43 | C19 | C20 | H45 | 45.4° | 144.4° |
| H43 | C19 | C20 | H46 | 78.7° | 23.3° |
| H44 | C19 | C20 | H45 | 167.5° | 21.2° |
| H44 | C19 | C20 | H46 | 43.4° | 99.9° |
| H51 | C25 | H52 | H53 | 120.0° | 120.0° |
