A1JK7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N55 | C54 | doub | 1.32Å | 1.34Å | Aromatic |
| N55 | C56 | sing | 1.33Å | 1.35Å | Aromatic |
| C54 | N53 | sing | 1.32Å | 1.33Å | Aromatic |
| N53 | C52 | doub | 1.33Å | 1.34Å | Aromatic |
| N57 | C56 | sing | 1.38Å | 1.32Å | |
| C56 | C58 | doub | 1.40Å | 1.40Å | Aromatic |
| C52 | C58 | sing | 1.41Å | 1.38Å | Aromatic |
| C52 | N51 | sing | 1.37Å | 1.37Å | Aromatic |
| C58 | N59 | sing | 1.35Å | 1.39Å | Aromatic |
| N51 | C50 | sing | 1.46Å | 1.44Å | |
| N51 | C60 | sing | 1.36Å | 1.37Å | Aromatic |
| N59 | C60 | doub | 1.30Å | 1.31Å | Aromatic |
| O49 | C48 | sing | 1.43Å | 1.42Å | |
| C50 | C48 | sing | 1.55Å | 1.52Å | |
| C50 | O61 | sing | 1.45Å | 1.41Å | |
| O47 | C46 | sing | 1.43Å | 1.42Å | |
| C48 | C46 | sing | 1.55Å | 1.53Å | |
| O61 | C45 | sing | 1.44Å | 1.44Å | |
| C46 | C45 | sing | 1.54Å | 1.53Å | |
| C45 | C44 | sing | 1.53Å | 1.50Å | |
| C44 | O43 | sing | 1.43Å | 1.43Å | |
| O43 | P42 | sing | 1.61Å | 1.57Å | |
| O65 | P40 | doub | 1.48Å | 1.48Å | |
| P42 | O63 | doub | 1.48Å | 1.48Å | |
| P42 | O41 | sing | 1.61Å | 1.58Å | |
| P42 | O62 | sing | 1.61Å | 1.48Å | |
| O41 | P40 | sing | 1.61Å | 1.59Å | |
| P40 | O64 | sing | 1.61Å | 1.48Å | |
| P40 | O39 | sing | 1.61Å | 1.58Å | |
| O39 | C38 | sing | 1.43Å | 1.43Å | |
| C38 | C37 | sing | 1.53Å | 1.50Å | |
| C66 | C37 | sing | 1.56Å | 1.52Å | |
| C66 | O67 | sing | 1.43Å | 1.42Å | |
| C66 | C68 | sing | 1.55Å | 1.53Å | |
| C37 | O36 | sing | 1.44Å | 1.44Å | |
| C68 | O69 | sing | 1.43Å | 1.41Å | |
| C68 | C35 | sing | 1.54Å | 1.53Å | |
| S4 | C3 | sing | 1.81Å | 1.79Å | |
| S4 | C5 | sing | 1.76Å | 1.75Å | |
| O36 | C35 | sing | 1.44Å | 1.39Å | |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C35 | N34 | sing | 1.46Å | 1.44Å | |
| O1 | C2 | doub | 1.21Å | 1.22Å | |
| N12 | C5 | doub | 1.33Å | 1.34Å | Aromatic |
| N12 | C10 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | N6 | sing | 1.33Å | 1.34Å | Aromatic |
| C2 | N13 | sing | 1.35Å | 1.35Å | |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| N33 | N34 | doub | 1.29Å | 1.31Å | Aromatic |
| N33 | N28 | sing | 1.29Å | 1.31Å | Aromatic |
| N34 | C26 | sing | 1.34Å | 1.35Å | Aromatic |
| C10 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| N6 | C7 | doub | 1.32Å | 1.34Å | Aromatic |
| N13 | C14 | sing | 1.39Å | 1.38Å | |
| N28 | C29 | sing | 1.46Å | 1.47Å | |
| N28 | C27 | sing | 1.35Å | 1.34Å | Aromatic |
| C26 | C25 | sing | 1.51Å | 1.49Å | |
| C26 | C27 | doub | 1.35Å | 1.35Å | Aromatic |
| C25 | O24 | sing | 1.43Å | 1.42Å | |
| C9 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.53Å | 1.50Å | |
| O24 | C23 | sing | 1.36Å | 1.37Å | |
| C7 | C8 | sing | 1.51Å | 1.50Å | |
| C30 | O31 | sing | 1.43Å | 1.40Å | |
| S71 | C14 | sing | 1.71Å | 1.73Å | Aromatic |
| S71 | C17 | sing | 1.76Å | 1.72Å | Aromatic |
| C14 | N15 | doub | 1.30Å | 1.30Å | Aromatic |
| C23 | C70 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| C70 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| O31 | C32 | sing | 1.43Å | 1.40Å | |
| N15 | C16 | sing | 1.32Å | 1.38Å | Aromatic |
| C17 | C16 | doub | 1.33Å | 1.36Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.47Å | |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.51Å | |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | H3B | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C11 | H11C | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8C | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C32 | H32C | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C38 | H38B | sing | 1.09Å | 1.10Å | |
| C44 | H44B | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| C54 | H54 | sing | 1.08Å | 1.08Å | |
| C60 | H60 | sing | 1.08Å | 1.08Å | |
| C66 | H66 | sing | 1.09Å | 1.10Å | |
| C68 | H68 | sing | 1.09Å | 1.10Å | |
| C70 | H70 | sing | 1.08Å | 1.08Å | |
| N13 | H13 | sing | 0.97Å | 1.00Å | |
| N57 | H57A | sing | 0.97Å | 1.00Å | |
| N57 | H57B | sing | 0.97Å | 1.00Å | |
| O47 | H47 | sing | 0.97Å | 0.95Å | |
| O49 | H49 | sing | 0.97Å | 0.95Å | |
| O62 | H1 | sing | 0.97Å | 0.95Å | |
| O64 | H2 | sing | 0.97Å | 0.95Å | |
| O67 | H67 | sing | 0.97Å | 0.95Å | |
| O69 | H69 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C54 | N55 | C56 | 118.8° | 121.2° |
| N55 | C54 | N53 | 128.7° | 122.5° |
| N55 | C54 | H54 | 115.6° | 118.8° |
| N55 | C56 | N57 | 119.1° | 120.7° |
| N55 | C56 | C58 | 117.7° | 118.5° |
| C54 | N53 | C52 | 110.7° | 120.6° |
| N53 | C54 | H54 | 115.6° | 118.7° |
| N53 | C52 | C58 | 127.0° | 119.1° |
| N53 | C52 | N51 | 126.8° | 134.9° |
| N57 | C56 | C58 | 123.2° | 120.8° |
| C56 | N57 | H57A | 109.5° | 120.0° |
| C56 | N57 | H57B | 109.4° | 120.0° |
| C56 | C58 | C52 | 117.2° | 118.2° |
| C56 | C58 | N59 | 132.2° | 134.7° |
| C58 | C52 | N51 | 106.2° | 106.0° |
| C52 | C58 | N59 | 110.7° | 107.1° |
| C52 | N51 | C50 | 125.5° | 126.3° |
| C52 | N51 | C60 | 105.5° | 107.4° |
| C58 | N59 | C60 | 103.5° | 109.4° |
| C50 | N51 | C60 | 127.9° | 126.3° |
| N51 | C50 | C48 | 113.7° | 110.3° |
| N51 | C50 | O61 | 107.4° | 110.4° |
| N51 | C50 | H50 | 110.5° | 110.5° |
| N51 | C60 | N59 | 114.1° | 110.0° |
| N51 | C60 | H60 | 123.0° | 125.0° |
| N59 | C60 | H60 | 122.9° | 125.0° |
| O49 | C48 | C50 | 113.3° | 110.6° |
| O49 | C48 | C46 | 115.7° | 110.5° |
| O49 | C48 | H48 | 110.4° | 110.5° |
| C48 | O49 | H49 | 109.5° | 114.0° |
| C48 | C50 | O61 | 104.9° | 104.9° |
| C50 | C48 | C46 | 99.0° | 104.0° |
| C50 | C48 | H48 | 109.0° | 110.5° |
| C48 | C50 | H50 | 109.4° | 110.4° |
| C50 | O61 | C45 | 108.9° | 105.2° |
| O61 | C50 | H50 | 110.9° | 110.3° |
| O47 | C46 | C48 | 112.0° | 110.6° |
| O47 | C46 | C45 | 106.8° | 110.5° |
| O47 | C46 | H46 | 112.9° | 110.5° |
| C46 | O47 | H47 | 109.5° | 114.0° |
| C48 | C46 | C45 | 102.1° | 104.1° |
| C48 | C46 | H46 | 111.2° | 110.5° |
| C46 | C48 | H48 | 108.8° | 110.5° |
| O61 | C45 | C46 | 105.9° | 104.9° |
| O61 | C45 | C44 | 107.9° | 110.3° |
| O61 | C45 | H45 | 110.1° | 110.4° |
| C46 | C45 | C44 | 114.8° | 110.4° |
| C46 | C45 | H45 | 108.8° | 110.4° |
| C45 | C46 | H46 | 111.2° | 110.5° |
| C45 | C44 | O43 | 105.0° | 109.5° |
| C45 | C44 | H44B | 110.6° | 109.5° |
| C45 | C44 | H44A | 110.6° | 109.5° |
| C44 | C45 | H45 | 109.2° | 110.3° |
| C44 | O43 | P42 | 117.2° | 123.0° |
| O43 | C44 | H44B | 110.5° | 109.5° |
| O43 | C44 | H44A | 110.6° | 109.5° |
| O43 | P42 | O63 | 112.1° | 109.5° |
| O43 | P42 | O41 | 103.7° | 109.5° |
| O43 | P42 | O62 | 104.7° | 109.5° |
| O65 | P40 | O41 | 110.4° | 109.4° |
| O65 | P40 | O64 | 120.4° | 109.5° |
| O65 | P40 | O39 | 106.9° | 109.4° |
| O63 | P42 | O41 | 106.5° | 109.5° |
| O63 | P42 | O62 | 119.0° | 109.5° |
| O41 | P42 | O62 | 109.9° | 109.4° |
| P42 | O41 | P40 | 130.5° | 134.0° |
| P42 | O62 | H1 | 109.5° | 114.0° |
| O41 | P40 | O64 | 105.3° | 109.5° |
| O41 | P40 | O39 | 100.2° | 109.5° |
| O64 | P40 | O39 | 111.8° | 109.5° |
| P40 | O64 | H2 | 109.5° | 114.1° |
| P40 | O39 | C38 | 119.9° | 123.0° |
| O39 | C38 | C37 | 106.4° | 109.5° |
| O39 | C38 | H38A | 110.2° | 109.4° |
| O39 | C38 | H38B | 110.3° | 109.5° |
| C38 | C37 | C66 | 113.6° | 110.8° |
| C38 | C37 | O36 | 108.6° | 110.6° |
| C38 | C37 | H37 | 109.0° | 110.6° |
| C37 | C38 | H38A | 110.2° | 109.5° |
| C37 | C38 | H38B | 110.2° | 109.5° |
| C37 | C66 | O67 | 114.1° | 110.9° |
| C37 | C66 | C68 | 102.8° | 102.1° |
| C66 | C37 | O36 | 107.0° | 103.5° |
| C66 | C37 | H37 | 108.8° | 110.5° |
| C37 | C66 | H66 | 108.9° | 110.9° |
| O67 | C66 | C68 | 111.5° | 111.0° |
| O67 | C66 | H66 | 110.4° | 110.8° |
| C66 | O67 | H67 | 109.5° | 114.0° |
| C66 | C68 | O69 | 113.1° | 110.5° |
| C66 | C68 | C35 | 101.8° | 104.2° |
| C68 | C66 | H66 | 108.9° | 110.9° |
| C66 | C68 | H68 | 110.8° | 110.5° |
| C37 | O36 | C35 | 110.0° | 107.0° |
| O36 | C37 | H37 | 109.8° | 110.6° |
| O69 | C68 | C35 | 107.1° | 110.5° |
| O69 | C68 | H68 | 112.6° | 110.5° |
| C68 | O69 | H69 | 109.5° | 114.0° |
| C68 | C35 | O36 | 105.2° | 107.4° |
| C68 | C35 | N34 | 114.9° | 109.9° |
| C68 | C35 | H35 | 107.6° | 109.9° |
| C35 | C68 | H68 | 110.8° | 110.5° |
| C3 | S4 | C5 | 102.8° | 100.0° |
| S4 | C3 | C2 | 112.7° | 109.5° |
| S4 | C3 | H3B | 108.6° | 109.5° |
| S4 | C3 | H3A | 108.7° | 109.5° |
| S4 | C5 | N12 | 113.4° | 119.3° |
| S4 | C5 | N6 | 119.0° | 119.2° |
| O36 | C35 | N34 | 110.9° | 109.8° |
| O36 | C35 | H35 | 109.4° | 109.9° |
| C3 | C2 | O1 | 122.2° | 120.0° |
| C3 | C2 | N13 | 115.0° | 120.0° |
| C2 | C3 | H3B | 108.7° | 109.5° |
| C2 | C3 | H3A | 108.7° | 109.5° |
| C35 | N34 | N33 | 118.8° | 125.6° |
| C35 | N34 | C26 | 128.8° | 125.5° |
| N34 | C35 | H35 | 108.7° | 109.9° |
| O1 | C2 | N13 | 122.4° | 120.0° |
| C5 | N12 | C10 | 115.7° | 120.8° |
| N12 | C5 | N6 | 127.5° | 121.6° |
| N12 | C10 | C11 | 116.7° | 120.4° |
| N12 | C10 | C9 | 121.4° | 119.2° |
| C5 | N6 | C7 | 115.5° | 120.7° |
| C2 | N13 | C14 | 124.2° | 120.0° |
| C2 | N13 | H13 | 117.9° | 119.9° |
| C11 | C10 | C9 | 121.9° | 120.4° |
| C10 | C11 | H11C | 109.5° | 109.5° |
| C10 | C11 | H11A | 109.5° | 109.5° |
| C10 | C11 | H11B | 109.5° | 109.5° |
| N34 | N33 | N28 | 104.1° | 110.2° |
| N33 | N34 | C26 | 112.2° | 108.9° |
| N33 | N28 | C29 | 118.0° | 125.9° |
| N33 | N28 | C27 | 113.1° | 108.3° |
| N34 | C26 | C25 | 123.7° | 126.7° |
| N34 | C26 | C27 | 105.4° | 106.5° |
| C10 | C9 | C7 | 118.3° | 118.6° |
| C10 | C9 | H9 | 120.9° | 120.8° |
| N6 | C7 | C9 | 121.6° | 119.2° |
| N6 | C7 | C8 | 116.5° | 120.4° |
| N13 | C14 | S71 | 122.4° | 124.9° |
| N13 | C14 | N15 | 121.4° | 125.0° |
| C14 | N13 | H13 | 117.9° | 120.1° |
| C29 | N28 | C27 | 128.7° | 125.8° |
| N28 | C29 | C30 | 113.2° | 109.4° |
| N28 | C29 | H29A | 108.5° | 109.5° |
| N28 | C29 | H29B | 108.5° | 109.5° |
| N28 | C27 | C26 | 105.1° | 106.2° |
| N28 | C27 | H27 | 127.4° | 127.0° |
| C25 | C26 | C27 | 130.7° | 126.8° |
| C26 | C25 | O24 | 110.5° | 109.5° |
| C26 | C25 | H25A | 109.2° | 109.4° |
| C26 | C25 | H25B | 109.2° | 109.4° |
| C26 | C27 | H27 | 127.4° | 126.9° |
| C25 | O24 | C23 | 119.2° | 117.0° |
| O24 | C25 | H25A | 109.2° | 109.5° |
| O24 | C25 | H25B | 109.2° | 109.5° |
| C9 | C7 | C8 | 121.9° | 120.4° |
| C7 | C9 | H9 | 120.9° | 120.7° |
| C29 | C30 | O31 | 106.7° | 109.5° |
| C30 | C29 | H29A | 108.5° | 109.5° |
| C30 | C29 | H29B | 108.5° | 109.4° |
| C29 | C30 | H30A | 110.2° | 109.4° |
| C29 | C30 | H30B | 110.2° | 109.5° |
| O24 | C23 | C70 | 114.5° | 120.1° |
| O24 | C23 | C22 | 124.8° | 120.0° |
| C7 | C8 | H8B | 109.5° | 109.5° |
| C7 | C8 | H8A | 109.5° | 109.5° |
| C7 | C8 | H8C | 109.4° | 109.4° |
| C30 | O31 | C32 | 110.9° | 114.0° |
| O31 | C30 | H30A | 110.2° | 109.5° |
| O31 | C30 | H30B | 110.2° | 109.5° |
| C14 | S71 | C17 | 89.4° | 90.4° |
| S71 | C14 | N15 | 115.1° | 110.1° |
| S71 | C17 | C16 | 108.9° | 108.0° |
| S71 | C17 | C18 | 121.8° | 126.0° |
| C14 | N15 | C16 | 109.5° | 116.9° |
| C70 | C23 | C22 | 120.7° | 119.9° |
| C23 | C70 | C19 | 120.1° | 120.0° |
| C23 | C70 | H70 | 120.0° | 120.0° |
| C23 | C22 | C21 | 119.1° | 120.0° |
| C23 | C22 | H22 | 120.5° | 120.1° |
| C70 | C19 | C18 | 120.7° | 120.0° |
| C70 | C19 | C20 | 118.9° | 120.0° |
| C19 | C70 | H70 | 119.9° | 120.0° |
| O31 | C32 | H32C | 109.5° | 109.4° |
| O31 | C32 | H32B | 109.4° | 109.5° |
| O31 | C32 | H32A | 109.4° | 109.4° |
| N15 | C16 | C17 | 117.0° | 114.6° |
| N15 | C16 | H16 | 121.5° | 122.7° |
| C16 | C17 | C18 | 129.2° | 126.0° |
| C17 | C16 | H16 | 121.5° | 122.7° |
| C17 | C18 | C19 | 114.7° | 109.5° |
| C17 | C18 | H18A | 108.2° | 109.4° |
| C17 | C18 | H18B | 108.2° | 109.5° |
| C22 | C21 | C20 | 120.3° | 120.0° |
| C21 | C22 | H22 | 120.5° | 120.0° |
| C22 | C21 | H21 | 119.9° | 120.0° |
| C18 | C19 | C20 | 120.4° | 120.0° |
| C19 | C18 | H18A | 108.2° | 109.5° |
| C19 | C18 | H18B | 108.2° | 109.5° |
| C19 | C20 | C21 | 120.9° | 120.2° |
| C19 | C20 | H20 | 119.5° | 119.9° |
| C21 | C20 | H20 | 119.5° | 119.9° |
| C20 | C21 | H21 | 119.9° | 119.9° |
| H3B | C3 | H3A | 109.5° | 109.4° |
| H11C | C11 | H11A | 109.4° | 109.4° |
| H11C | C11 | H11B | 109.5° | 109.4° |
| H11A | C11 | H11B | 109.5° | 109.5° |
| H8B | C8 | H8A | 109.5° | 109.5° |
| H8B | C8 | H8C | 109.4° | 109.5° |
| H8A | C8 | H8C | 109.5° | 109.5° |
| H25A | C25 | H25B | 109.5° | 109.5° |
| H18A | C18 | H18B | 109.4° | 109.5° |
| H29A | C29 | H29B | 109.5° | 109.5° |
| H30A | C30 | H30B | 109.5° | 109.5° |
| H32C | C32 | H32B | 109.5° | 109.5° |
| H32C | C32 | H32A | 109.5° | 109.4° |
| H32B | C32 | H32A | 109.5° | 109.5° |
| H38A | C38 | H38B | 109.5° | 109.5° |
| H44B | C44 | H44A | 109.5° | 109.4° |
| H57A | N57 | H57B | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N55 | C54 | N53 | H54 | 180.0° | 179.9° |
| N55 | C54 | N53 | C52 | 0.1° | 0.0° |
| C54 | N55 | C56 | N57 | 179.6° | 180.0° |
| C54 | N55 | C56 | C58 | 0.1° | 0.5° |
| C56 | N55 | C54 | N53 | 0.2° | 0.2° |
| N55 | C56 | N57 | C58 | 179.7° | 179.5° |
| N55 | C56 | C58 | C52 | 0.4° | 0.5° |
| N55 | C56 | C58 | N59 | 179.7° | 179.5° |
| C56 | N55 | C54 | H54 | 179.8° | 179.7° |
| N55 | C56 | N57 | H57A | 0.0° | 179.5° |
| N55 | C56 | N57 | H57B | 120.0° | 0.5° |
| C54 | N53 | C52 | C58 | 0.3° | 0.0° |
| C54 | N53 | C52 | N51 | 179.2° | 179.6° |
| N53 | C52 | C58 | C56 | 0.6° | 0.2° |
| N53 | C52 | C58 | N51 | 179.6° | 179.8° |
| N53 | C52 | C58 | N59 | 180.0° | 179.8° |
| N53 | C52 | N51 | C50 | 11.3° | 0.2° |
| N53 | C52 | N51 | C60 | 179.9° | 179.7° |
| C52 | N53 | C54 | H54 | 180.0° | 180.0° |
| N57 | C56 | C58 | C52 | 179.3° | 180.0° |
| N57 | C56 | C58 | N59 | 0.0° | 0.0° |
| C56 | N57 | H57A | H57B | 120.0° | 180.0° |
| C56 | C58 | C52 | N59 | 179.4° | 180.0° |
| C56 | C58 | C52 | N51 | 179.1° | 180.0° |
| C56 | C58 | N59 | C60 | 179.2° | 180.0° |
| C58 | C56 | N57 | H57A | 179.7° | 0.0° |
| C58 | C56 | N57 | H57B | 59.7° | 180.0° |
| C58 | C52 | N51 | C50 | 168.3° | 179.9° |
| C58 | C52 | N51 | C60 | 0.4° | 0.0° |
| C52 | C58 | N59 | C60 | 0.1° | 0.0° |
| N51 | C52 | C58 | N59 | 0.4° | 0.0° |
| C52 | N51 | C50 | C60 | 166.2° | 179.9° |
| C52 | N51 | C60 | N59 | 0.4° | 0.0° |
| C52 | N51 | C50 | C48 | 146.9° | 85.0° |
| C52 | N51 | C50 | O61 | 97.5° | 159.6° |
| C52 | N51 | C50 | H50 | 23.5° | 37.3° |
| C52 | N51 | C60 | H60 | 179.6° | 180.0° |
| C58 | N59 | C60 | N51 | 0.2° | 0.0° |
| C58 | N59 | C60 | H60 | 179.8° | 180.0° |
| C50 | N51 | C60 | N59 | 168.0° | 179.9° |
| N51 | C50 | C48 | O49 | 76.9° | 98.5° |
| N51 | C50 | C48 | O61 | 117.0° | 118.9° |
| N51 | C50 | C48 | H50 | 124.0° | 122.4° |
| N51 | C50 | O61 | H50 | 120.8° | 122.4° |
| N51 | C50 | C48 | C46 | 160.0° | 142.8° |
| N51 | C50 | O61 | C45 | 151.5° | 159.2° |
| N51 | C50 | C48 | H48 | 46.4° | 24.1° |
| C50 | N51 | C60 | H60 | 12.1° | 0.0° |
| N51 | C60 | N59 | H60 | 180.0° | 180.0° |
| C60 | N51 | C50 | C48 | 46.9° | 95.1° |
| C60 | N51 | C50 | O61 | 68.7° | 20.4° |
| C60 | N51 | C50 | H50 | 170.3° | 142.6° |
| O49 | C48 | C50 | C46 | 123.1° | 118.7° |
| O49 | C48 | C50 | H48 | 123.3° | 122.7° |
| O49 | C48 | C50 | O61 | 166.1° | 142.6° |
| O49 | C48 | C46 | O47 | 46.2° | 0.0° |
| O49 | C48 | C46 | H48 | 124.9° | 122.6° |
| O49 | C48 | C46 | C45 | 160.1° | 118.8° |
| O49 | C48 | C46 | H46 | 81.2° | 122.6° |
| O49 | C48 | C50 | H50 | 47.1° | 23.8° |
| C48 | C50 | O61 | H50 | 118.0° | 118.8° |
| C50 | C48 | C46 | O47 | 75.1° | 118.7° |
| C50 | C48 | C46 | H48 | 113.7° | 118.6° |
| C48 | C50 | O61 | C45 | 30.2° | 40.4° |
| C50 | C48 | C46 | C45 | 38.8° | 0.0° |
| C50 | C48 | C46 | H46 | 157.5° | 118.7° |
| C50 | C48 | O49 | H49 | 180.0° | 176.2° |
| O61 | C50 | C48 | C46 | 42.9° | 23.9° |
| C50 | O61 | C45 | C46 | 4.2° | 40.4° |
| C50 | O61 | C45 | C44 | 127.5° | 159.3° |
| C50 | O61 | C45 | H45 | 113.3° | 78.5° |
| O61 | C50 | C48 | H48 | 70.6° | 94.7° |
| O47 | C46 | C48 | C45 | 113.9° | 118.7° |
| O47 | C46 | C48 | H46 | 127.4° | 122.6° |
| O47 | C46 | C45 | O61 | 94.9° | 142.7° |
| O47 | C46 | C45 | H46 | 123.5° | 122.6° |
| O47 | C46 | C45 | C44 | 146.2° | 98.4° |
| O47 | C46 | C45 | H45 | 23.5° | 23.8° |
| O47 | C46 | C48 | H48 | 171.2° | 122.7° |
| C48 | C46 | C45 | O61 | 22.9° | 23.9° |
| C48 | C46 | C45 | H46 | 118.7° | 118.6° |
| C48 | C46 | C45 | C44 | 96.0° | 142.8° |
| C48 | C46 | C45 | H45 | 141.2° | 94.9° |
| C46 | C48 | C50 | H50 | 76.1° | 94.9° |
| C48 | C46 | O47 | H47 | 180.0° | 65.2° |
| C46 | C48 | O49 | H49 | 66.7° | 61.5° |
| O61 | C45 | C46 | C44 | 118.9° | 118.9° |
| O61 | C45 | C46 | H45 | 118.3° | 118.9° |
| O61 | C45 | C44 | H45 | 119.7° | 122.2° |
| O61 | C45 | C44 | O43 | 177.8° | 68.0° |
| O61 | C45 | C44 | H44B | 63.0° | 172.0° |
| O61 | C45 | C44 | H44A | 58.5° | 52.1° |
| O61 | C45 | C46 | H46 | 141.6° | 94.7° |
| C45 | O61 | C50 | H50 | 87.7° | 78.4° |
| C46 | C45 | C44 | H45 | 122.5° | 122.3° |
| C46 | C45 | C44 | O43 | 64.5° | 176.5° |
| C46 | C45 | C44 | H44B | 54.8° | 56.5° |
| C46 | C45 | C44 | H44A | 176.2° | 63.4° |
| C45 | C46 | C48 | H48 | 74.9° | 118.6° |
| C45 | C46 | O47 | H47 | 69.0° | 180.0° |
| C45 | C44 | O43 | H44B | 119.3° | 120.0° |
| C45 | C44 | O43 | H44A | 119.3° | 120.0° |
| C45 | C44 | O43 | P42 | 174.1° | 180.0° |
| C45 | C44 | H44B | H44A | 122.1° | 120.0° |
| C44 | C45 | C46 | H46 | 22.7° | 24.2° |
| C44 | O43 | P42 | O63 | 46.2° | 55.0° |
| C44 | O43 | P42 | O41 | 68.3° | 175.0° |
| C44 | O43 | P42 | O62 | 176.5° | 65.0° |
| O43 | C44 | H44B | H44A | 122.1° | 120.0° |
| O43 | C44 | C45 | H45 | 58.1° | 54.3° |
| O43 | P42 | O63 | O41 | 112.8° | 120.0° |
| O43 | P42 | O63 | O62 | 122.5° | 120.0° |
| O43 | P42 | O41 | O62 | 111.4° | 120.0° |
| O43 | P42 | O41 | P40 | 78.0° | 160.0° |
| P42 | O43 | C44 | H44B | 54.8° | 60.0° |
| P42 | O43 | C44 | H44A | 66.6° | 60.0° |
| O43 | P42 | O62 | H1 | 126.2° | 60.0° |
| O65 | P40 | O41 | P42 | 35.8° | 45.0° |
| O65 | P40 | O41 | O64 | 131.4° | 120.0° |
| O65 | P40 | O41 | O39 | 112.5° | 120.0° |
| O65 | P40 | O64 | O39 | 126.7° | 120.0° |
| O65 | P40 | O39 | C38 | 174.5° | 55.1° |
| O65 | P40 | O64 | H2 | 0.0° | 180.0° |
| O63 | P42 | O41 | O62 | 130.1° | 120.0° |
| O63 | P42 | O41 | P40 | 163.5° | 40.0° |
| O63 | P42 | O62 | H1 | 0.0° | 180.0° |
| P42 | O41 | P40 | O64 | 167.2° | 75.0° |
| P42 | O41 | P40 | O39 | 76.7° | 165.0° |
| O41 | P42 | O62 | H1 | 123.0° | 60.0° |
| O62 | P42 | O41 | P40 | 33.4° | 80.0° |
| O41 | P40 | O64 | O39 | 107.9° | 120.0° |
| O41 | P40 | O39 | C38 | 59.4° | 175.0° |
| O41 | P40 | O64 | H2 | 125.3° | 60.0° |
| O64 | P40 | O39 | C38 | 51.8° | 64.9° |
| P40 | O39 | C38 | C37 | 130.1° | 180.0° |
| P40 | O39 | C38 | H38A | 110.4° | 60.0° |
| P40 | O39 | C38 | H38B | 10.5° | 59.9° |
| O39 | P40 | O64 | H2 | 126.7° | 60.0° |
| O39 | C38 | C37 | H38A | 119.5° | 120.0° |
| O39 | C38 | C37 | H38B | 119.5° | 120.0° |
| O39 | C38 | C37 | C66 | 68.1° | 179.4° |
| O39 | C38 | C37 | O36 | 173.0° | 66.5° |
| O39 | C38 | C37 | H37 | 53.4° | 56.4° |
| O39 | C38 | H38A | H38B | 121.4° | 120.0° |
| C38 | C37 | C66 | O36 | 119.8° | 118.6° |
| C38 | C37 | C66 | H37 | 121.6° | 123.0° |
| C38 | C37 | C66 | O67 | 136.3° | 86.2° |
| C38 | C37 | C66 | C68 | 102.9° | 155.5° |
| C38 | C37 | O36 | H37 | 119.1° | 122.9° |
| C38 | C37 | O36 | C35 | 129.2° | 158.7° |
| C37 | C38 | H38A | H38B | 121.4° | 120.0° |
| C38 | C37 | C66 | H66 | 12.5° | 37.4° |
| C37 | C66 | O67 | C68 | 115.8° | 112.7° |
| C37 | C66 | O67 | H66 | 123.1° | 123.6° |
| C37 | C66 | C68 | H66 | 115.4° | 118.2° |
| C66 | C37 | O36 | H37 | 117.9° | 118.4° |
| C37 | C66 | C68 | O69 | 146.1° | 97.9° |
| C37 | C66 | C68 | C35 | 31.5° | 20.7° |
| C66 | C37 | O36 | C35 | 6.3° | 40.0° |
| C66 | C37 | C38 | H38A | 172.4° | 59.4° |
| C66 | C37 | C38 | H38B | 51.5° | 60.6° |
| C37 | C66 | C68 | H68 | 86.3° | 139.5° |
| C37 | C66 | O67 | H67 | 180.0° | 180.0° |
| O67 | C66 | C68 | H66 | 122.0° | 123.6° |
| O67 | C66 | C37 | O36 | 103.9° | 155.2° |
| O67 | C66 | C68 | O69 | 23.5° | 20.3° |
| O67 | C66 | C68 | C35 | 91.1° | 139.0° |
| O67 | C66 | C37 | H37 | 14.7° | 36.8° |
| O67 | C66 | C68 | H68 | 151.0° | 102.3° |
| C68 | C66 | C37 | O36 | 16.9° | 36.9° |
| C66 | C68 | O69 | C35 | 111.4° | 114.8° |
| C66 | C68 | O69 | H68 | 126.6° | 122.6° |
| C66 | C68 | C35 | H68 | 117.9° | 118.7° |
| C66 | C68 | C35 | O36 | 36.5° | 2.1° |
| C66 | C68 | C35 | N34 | 85.7° | 117.4° |
| C66 | C68 | C35 | H35 | 153.1° | 121.6° |
| C68 | C66 | C37 | H37 | 135.5° | 81.5° |
| C68 | C66 | O67 | H67 | 64.2° | 67.2° |
| C66 | C68 | O69 | H69 | 180.0° | 61.5° |
| C37 | O36 | C35 | C68 | 27.0° | 26.6° |
| C37 | O36 | C35 | N34 | 97.8° | 92.9° |
| C37 | O36 | C35 | H35 | 142.3° | 146.1° |
| O36 | C37 | C38 | H38A | 53.5° | 173.6° |
| O36 | C37 | C38 | H38B | 67.5° | 53.5° |
| O36 | C37 | C66 | H66 | 132.3° | 81.2° |
| O69 | C68 | C35 | H68 | 123.2° | 122.6° |
| O69 | C68 | C35 | O36 | 155.4° | 120.8° |
| O69 | C68 | C35 | N34 | 33.2° | 1.3° |
| O69 | C68 | C35 | H35 | 88.0° | 119.7° |
| O69 | C68 | C66 | H66 | 98.5° | 143.9° |
| C68 | C35 | O36 | N34 | 124.8° | 119.5° |
| C68 | C35 | O36 | H35 | 115.3° | 119.5° |
| C68 | C35 | N34 | H35 | 120.6° | 121.0° |
| C68 | C35 | N34 | N33 | 89.7° | 74.7° |
| C68 | C35 | N34 | C26 | 85.2° | 105.8° |
| C35 | C68 | C66 | H66 | 146.9° | 97.4° |
| C35 | C68 | O69 | H69 | 68.6° | 176.3° |
| S4 | C3 | C2 | H3B | 120.5° | 120.0° |
| S4 | C3 | C2 | H3A | 120.5° | 120.0° |
| S4 | C3 | C2 | O1 | 95.1° | 0.0° |
| C3 | S4 | C5 | N12 | 167.5° | 0.0° |
| C3 | S4 | C5 | N6 | 13.9° | 180.0° |
| S4 | C3 | C2 | N13 | 91.9° | 180.0° |
| S4 | C3 | H3B | H3A | 118.5° | 120.0° |
| C5 | S4 | C3 | C2 | 84.4° | 180.0° |
| S4 | C5 | N12 | N6 | 178.5° | 180.0° |
| S4 | C5 | N12 | C10 | 178.3° | 179.7° |
| S4 | C5 | N6 | C7 | 178.2° | 180.0° |
| C5 | S4 | C3 | H3B | 155.1° | 60.0° |
| C5 | S4 | C3 | H3A | 36.1° | 60.0° |
| O36 | C35 | N34 | H35 | 120.3° | 121.0° |
| O36 | C35 | N34 | N33 | 29.3° | 43.3° |
| O36 | C35 | N34 | C26 | 155.8° | 136.2° |
| C35 | O36 | C37 | H37 | 111.7° | 78.4° |
| O36 | C35 | C68 | H68 | 81.4° | 116.6° |
| C3 | C2 | O1 | N13 | 172.5° | 179.9° |
| C3 | C2 | N13 | C14 | 167.7° | 180.0° |
| C2 | C3 | H3B | H3A | 118.5° | 120.0° |
| C3 | C2 | N13 | H13 | 12.3° | 0.1° |
| C35 | N34 | N33 | C26 | 175.7° | 179.5° |
| C35 | N34 | N33 | N28 | 175.8° | 180.0° |
| C35 | N34 | C26 | C25 | 1.4° | 0.3° |
| C35 | N34 | C26 | C27 | 175.2° | 180.0° |
| N34 | C35 | C68 | H68 | 156.4° | 123.9° |
| O1 | C2 | N13 | C14 | 19.3° | 0.1° |
| O1 | C2 | C3 | H3B | 25.4° | 120.0° |
| O1 | C2 | C3 | H3A | 144.5° | 120.0° |
| O1 | C2 | N13 | H13 | 160.7° | 180.0° |
| C5 | N12 | C10 | C11 | 179.5° | 179.7° |
| C5 | N12 | C10 | C9 | 0.1° | 0.2° |
| N12 | C5 | N6 | C7 | 0.3° | 0.0° |
| C10 | N12 | C5 | N6 | 0.2° | 0.2° |
| N12 | C10 | C11 | C9 | 179.4° | 179.9° |
| N12 | C10 | C9 | C7 | 0.0° | 0.0° |
| N12 | C10 | C11 | H11C | 0.0° | 90.1° |
| N12 | C10 | C11 | H11A | 120.0° | 29.9° |
| N12 | C10 | C11 | H11B | 120.0° | 149.9° |
| N12 | C10 | C9 | H9 | 179.9° | 180.0° |
| C5 | N6 | C7 | C9 | 0.2° | 0.2° |
| C5 | N6 | C7 | C8 | 178.8° | 180.0° |
| C2 | N13 | C14 | H13 | 180.0° | 179.9° |
| C2 | N13 | C14 | S71 | 20.5° | 179.7° |
| C2 | N13 | C14 | N15 | 171.6° | 0.1° |
| N13 | C2 | C3 | H3B | 147.6° | 60.0° |
| N13 | C2 | C3 | H3A | 28.6° | 60.0° |
| C11 | C10 | C9 | C7 | 179.4° | 180.0° |
| C10 | C11 | H11C | H11A | 120.0° | 120.0° |
| C10 | C11 | H11C | H11B | 120.0° | 120.0° |
| C10 | C11 | H11A | H11B | 120.0° | 120.1° |
| C11 | C10 | C9 | H9 | 0.6° | 0.0° |
| N34 | N33 | N28 | C29 | 175.3° | 179.7° |
| N34 | N33 | N28 | C27 | 0.1° | 0.4° |
| N33 | N34 | C26 | C25 | 176.5° | 179.8° |
| N33 | N34 | C26 | C27 | 0.0° | 0.5° |
| N33 | N34 | C35 | H35 | 149.7° | 164.2° |
| N28 | N33 | N34 | C26 | 0.1° | 0.5° |
| N33 | N28 | C29 | C27 | 174.5° | 179.9° |
| N33 | N28 | C27 | C26 | 0.1° | 0.1° |
| N33 | N28 | C29 | C30 | 134.2° | 55.0° |
| N33 | N28 | C27 | H27 | 179.9° | 179.9° |
| N33 | N28 | C29 | H29A | 13.7° | 175.1° |
| N33 | N28 | C29 | H29B | 105.2° | 64.9° |
| N34 | C26 | C27 | N28 | 0.0° | 0.2° |
| N34 | C26 | C25 | C27 | 175.6° | 179.7° |
| N34 | C26 | C25 | O24 | 58.8° | 179.7° |
| N34 | C26 | C25 | H25A | 61.3° | 60.3° |
| N34 | C26 | C25 | H25B | 179.0° | 59.7° |
| N34 | C26 | C27 | H27 | 180.0° | 179.8° |
| C26 | N34 | C35 | H35 | 35.5° | 15.2° |
| C10 | C9 | C7 | N6 | 0.1° | 0.2° |
| C10 | C9 | C7 | H9 | 180.0° | 180.0° |
| C10 | C9 | C7 | C8 | 178.9° | 180.0° |
| C9 | C10 | C11 | H11C | 179.4° | 90.0° |
| C9 | C10 | C11 | H11A | 60.6° | 150.0° |
| C9 | C10 | C11 | H11B | 59.4° | 30.0° |
| N6 | C7 | C9 | C8 | 179.0° | 179.8° |
| N6 | C7 | C9 | H9 | 179.9° | 179.8° |
| N6 | C7 | C8 | H8B | 0.0° | 89.7° |
| N6 | C7 | C8 | H8A | 120.0° | 30.3° |
| N6 | C7 | C8 | H8C | 120.0° | 150.3° |
| N13 | C14 | S71 | N15 | 168.6° | 179.8° |
| N13 | C14 | S71 | C17 | 168.5° | 179.8° |
| N13 | C14 | N15 | C16 | 168.6° | 179.9° |
| C29 | N28 | C27 | C26 | 174.7° | 180.0° |
| N28 | C29 | C30 | H29A | 120.5° | 120.0° |
| N28 | C29 | C30 | H29B | 120.5° | 120.0° |
| N28 | C29 | C30 | O31 | 73.5° | 180.0° |
| C29 | N28 | C27 | H27 | 5.3° | 0.0° |
| N28 | C29 | H29A | H29B | 118.3° | 120.0° |
| N28 | C29 | C30 | H30A | 46.1° | 60.0° |
| N28 | C29 | C30 | H30B | 167.0° | 60.0° |
| N28 | C27 | C26 | C25 | 176.3° | 180.0° |
| N28 | C27 | C26 | H27 | 180.0° | 180.0° |
| C27 | N28 | C29 | C30 | 51.2° | 125.1° |
| C27 | N28 | C29 | H29A | 171.8° | 5.0° |
| C27 | N28 | C29 | H29B | 69.3° | 115.0° |
| C26 | C25 | O24 | H25A | 120.2° | 120.0° |
| C26 | C25 | O24 | H25B | 120.1° | 120.0° |
| C26 | C25 | O24 | C23 | 87.5° | 180.0° |
| C26 | C25 | H25A | H25B | 119.5° | 119.9° |
| C25 | C26 | C27 | H27 | 3.7° | 0.0° |
| C27 | C26 | C25 | O24 | 125.5° | 0.0° |
| C27 | C26 | C25 | H25A | 114.3° | 120.0° |
| C27 | C26 | C25 | H25B | 5.4° | 120.0° |
| C25 | O24 | C23 | C70 | 173.4° | 180.0° |
| C25 | O24 | C23 | C22 | 5.6° | 0.0° |
| O24 | C25 | H25A | H25B | 119.5° | 120.1° |
| C9 | C7 | C8 | H8B | 179.0° | 90.0° |
| C9 | C7 | C8 | H8A | 61.0° | 150.0° |
| C9 | C7 | C8 | H8C | 59.0° | 30.0° |
| C29 | C30 | O31 | H30A | 119.6° | 120.0° |
| C29 | C30 | O31 | H30B | 119.5° | 120.0° |
| C29 | C30 | O31 | C32 | 176.5° | 180.0° |
| C30 | C29 | H29A | H29B | 118.3° | 120.0° |
| C29 | C30 | H30A | H30B | 121.3° | 120.0° |
| O24 | C23 | C70 | C22 | 179.0° | 180.0° |
| O24 | C23 | C70 | C19 | 178.8° | 180.0° |
| O24 | C23 | C22 | C21 | 178.7° | 179.7° |
| C23 | O24 | C25 | H25A | 152.3° | 60.0° |
| C23 | O24 | C25 | H25B | 32.6° | 60.0° |
| O24 | C23 | C22 | H22 | 1.3° | 0.0° |
| O24 | C23 | C70 | H70 | 1.2° | 0.0° |
| C8 | C7 | C9 | H9 | 1.1° | 0.0° |
| C7 | C8 | H8B | H8A | 120.0° | 120.0° |
| C7 | C8 | H8B | H8C | 120.0° | 120.0° |
| C7 | C8 | H8A | H8C | 120.0° | 120.0° |
| O31 | C30 | C29 | H29A | 166.0° | 60.0° |
| O31 | C30 | C29 | H29B | 47.1° | 60.0° |
| O31 | C30 | H30A | H30B | 121.3° | 120.0° |
| C30 | O31 | C32 | H32C | 180.0° | 60.1° |
| C30 | O31 | C32 | H32B | 60.0° | 60.0° |
| C30 | O31 | C32 | H32A | 60.0° | 180.0° |
| S71 | C14 | N15 | C16 | 0.1° | 0.3° |
| C14 | S71 | C17 | C16 | 0.1° | 0.3° |
| C14 | S71 | C17 | C18 | 177.4° | 179.8° |
| S71 | C14 | N13 | H13 | 159.5° | 0.2° |
| C17 | S71 | C14 | N15 | 0.1° | 0.0° |
| S71 | C17 | C16 | N15 | 0.0° | 0.5° |
| S71 | C17 | C16 | C18 | 177.2° | 180.0° |
| S71 | C17 | C18 | C19 | 77.4° | 90.0° |
| S71 | C17 | C16 | H16 | 180.0° | 179.9° |
| S71 | C17 | C18 | H18A | 43.4° | 30.0° |
| S71 | C17 | C18 | H18B | 161.9° | 150.0° |
| C14 | N15 | C16 | C17 | 0.1° | 0.5° |
| C14 | N15 | C16 | H16 | 179.9° | 180.0° |
| N15 | C14 | N13 | H13 | 8.4° | 180.0° |
| C23 | C70 | C19 | H70 | 180.0° | 180.0° |
| C70 | C23 | C22 | C21 | 0.1° | 0.3° |
| C23 | C70 | C19 | C18 | 178.3° | 180.0° |
| C23 | C70 | C19 | C20 | 0.1° | 0.3° |
| C70 | C23 | C22 | H22 | 179.9° | 180.0° |
| C22 | C23 | C70 | C19 | 0.2° | 0.0° |
| C23 | C22 | C21 | H22 | 180.0° | 179.7° |
| C23 | C22 | C21 | C20 | 0.0° | 0.3° |
| C23 | C22 | C21 | H21 | 180.0° | 179.7° |
| C22 | C23 | C70 | H70 | 179.8° | 180.0° |
| C70 | C19 | C18 | C17 | 48.5° | 90.3° |
| C70 | C19 | C18 | C20 | 178.1° | 179.7° |
| C70 | C19 | C20 | C21 | 0.0° | 0.3° |
| C70 | C19 | C18 | H18A | 72.2° | 149.7° |
| C70 | C19 | C18 | H18B | 169.3° | 29.7° |
| C70 | C19 | C20 | H20 | 179.9° | 179.8° |
| C32 | O31 | C30 | H30A | 63.9° | 60.1° |
| C32 | O31 | C30 | H30B | 56.9° | 60.0° |
| O31 | C32 | H32C | H32B | 120.0° | 120.0° |
| O31 | C32 | H32C | H32A | 120.0° | 119.9° |
| O31 | C32 | H32B | H32A | 120.0° | 120.0° |
| N15 | C16 | C17 | H16 | 180.0° | 179.5° |
| N15 | C16 | C17 | C18 | 177.2° | 179.5° |
| C16 | C17 | C18 | C19 | 105.8° | 90.1° |
| C16 | C17 | C18 | H18A | 133.4° | 150.0° |
| C16 | C17 | C18 | H18B | 15.0° | 30.0° |
| C17 | C18 | C19 | H18A | 120.8° | 119.9° |
| C17 | C18 | C19 | H18B | 120.8° | 120.0° |
| C17 | C18 | C19 | C20 | 133.4° | 90.0° |
| C18 | C17 | C16 | H16 | 2.8° | 0.1° |
| C17 | C18 | H18A | H18B | 117.6° | 120.0° |
| C22 | C21 | C20 | C19 | 0.0° | 0.0° |
| C22 | C21 | C20 | H21 | 180.0° | 180.0° |
| C22 | C21 | C20 | H20 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 178.2° | 180.0° |
| C19 | C18 | H18A | H18B | 117.6° | 120.0° |
| C18 | C19 | C20 | H20 | 1.8° | 0.1° |
| C18 | C19 | C70 | H70 | 1.7° | 0.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C20 | C19 | C18 | H18A | 105.9° | 30.0° |
| C20 | C19 | C18 | H18B | 12.6° | 150.0° |
| C19 | C20 | C21 | H21 | 180.0° | 180.0° |
| C20 | C19 | C70 | H70 | 179.9° | 179.7° |
| C20 | C21 | C22 | H22 | 180.0° | 180.0° |
| H11C | C11 | H11A | H11B | 120.0° | 119.9° |
| H8B | C8 | H8A | H8C | 120.0° | 120.0° |
| H20 | C20 | C21 | H21 | 0.0° | 0.0° |
| H22 | C22 | C21 | H21 | 0.0° | 0.1° |
| H29A | C29 | C30 | H30A | 74.5° | 60.0° |
| H29A | C29 | C30 | H30B | 46.4° | 180.0° |
| H29B | C29 | C30 | H30A | 166.6° | 180.0° |
| H29B | C29 | C30 | H30B | 72.5° | 60.0° |
| H32C | C32 | H32B | H32A | 120.0° | 120.0° |
| H35 | C35 | C68 | H68 | 35.2° | 2.9° |
| H37 | C37 | C38 | H38A | 66.1° | 63.6° |
| H37 | C37 | C38 | H38B | 172.9° | 176.4° |
| H37 | C37 | C66 | H66 | 109.1° | 160.4° |
| H44B | C44 | C45 | H45 | 177.3° | 65.8° |
| H44A | C44 | C45 | H45 | 61.2° | 174.3° |
| H45 | C45 | C46 | H46 | 100.0° | 146.4° |
| H46 | C46 | C48 | H48 | 43.8° | 0.0° |
| H46 | C46 | O47 | H47 | 53.5° | 57.4° |
| H48 | C48 | C50 | H50 | 170.4° | 146.5° |
| H48 | C48 | O49 | H49 | 57.4° | 61.1° |
| H66 | C66 | C68 | H68 | 29.1° | 21.3° |
| H66 | C66 | O67 | H67 | 56.9° | 56.4° |
| H68 | C68 | O69 | H69 | 53.4° | 61.1° |
