XYU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C79 | O78 | sing | 1.43Å | 1.43Å | |
| O78 | C54 | sing | 1.43Å | 1.44Å | |
| C53 | C52 | sing | 1.51Å | 1.52Å | |
| C52 | C54 | sing | 1.51Å | 1.51Å | |
| C52 | C51 | doub | 1.34Å | 1.35Å | |
| C54 | C56 | sing | 1.52Å | 1.52Å | |
| C68 | C67 | sing | 1.53Å | 1.53Å | |
| C68 | C69 | sing | 1.52Å | 1.52Å | |
| O63 | C62 | doub | 1.22Å | 1.21Å | |
| O61 | C60 | sing | 1.44Å | 1.43Å | |
| C56 | C57 | sing | 1.52Å | 1.52Å | |
| C51 | C50 | sing | 1.47Å | 1.46Å | |
| C50 | C49 | doub | 1.34Å | 1.35Å | |
| C67 | N66 | sing | 1.48Å | 1.51Å | |
| C57 | O59 | sing | 1.43Å | 1.42Å | |
| C57 | C77 | sing | 1.53Å | 1.54Å | |
| O59 | C60 | sing | 1.44Å | 1.42Å | |
| C69 | C70 | sing | 1.52Å | 1.52Å | |
| C62 | C60 | sing | 1.48Å | 1.49Å | |
| C62 | C64 | sing | 1.46Å | 1.47Å | |
| C60 | C73 | sing | 1.54Å | 1.54Å | |
| C27 | C25 | sing | 1.53Å | 1.54Å | |
| O80 | C23 | sing | 1.43Å | 1.44Å | |
| C49 | C48 | sing | 1.47Å | 1.47Å | |
| C48 | C47 | doub | 1.33Å | 1.33Å | |
| N66 | C64 | sing | 1.34Å | 1.37Å | |
| N66 | C71 | sing | 1.46Å | 1.50Å | |
| C64 | O65 | doub | 1.21Å | 1.21Å | |
| C77 | C76 | sing | 1.53Å | 1.54Å | |
| C70 | C71 | sing | 1.54Å | 1.53Å | |
| C47 | C44 | sing | 1.51Å | 1.52Å | |
| C44 | C46 | sing | 1.53Å | 1.55Å | |
| C44 | C43 | sing | 1.53Å | 1.55Å | |
| C42 | C40 | sing | 1.53Å | 1.55Å | |
| C25 | C23 | sing | 1.53Å | 1.55Å | |
| C25 | C28 | sing | 1.50Å | 1.52Å | |
| C73 | C76 | sing | 1.53Å | 1.54Å | |
| C73 | C75 | sing | 1.53Å | 1.54Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C71 | C2 | sing | 1.51Å | 1.50Å | |
| O3 | C2 | sing | 1.34Å | 1.34Å | |
| O3 | C4 | sing | 1.44Å | 1.45Å | |
| C43 | C40 | sing | 1.53Å | 1.54Å | |
| C40 | C38 | sing | 1.51Å | 1.53Å | |
| C22 | C4 | sing | 1.54Å | 1.53Å | |
| C2 | O1 | doub | 1.20Å | 1.21Å | |
| C28 | C29 | doub | 1.31Å | 1.34Å | |
| C4 | C6 | sing | 1.53Å | 1.55Å | |
| C30 | C29 | sing | 1.51Å | 1.52Å | |
| C29 | C31 | sing | 1.51Å | 1.53Å | |
| C38 | O39 | doub | 1.21Å | 1.21Å | |
| C38 | C34 | sing | 1.50Å | 1.52Å | |
| C8 | C6 | sing | 1.53Å | 1.54Å | |
| C6 | C9 | sing | 1.53Å | 1.53Å | |
| C34 | C31 | sing | 1.53Å | 1.53Å | |
| C34 | O36 | sing | 1.43Å | 1.44Å | |
| C31 | O33 | sing | 1.43Å | 1.42Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| O36 | C37 | sing | 1.43Å | 1.43Å | |
| C10 | C21 | sing | 1.53Å | 1.54Å | |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C20 | C17 | sing | 1.53Å | 1.54Å | |
| C13 | C17 | sing | 1.53Å | 1.53Å | |
| C13 | O15 | sing | 1.43Å | 1.43Å | |
| C17 | O19 | sing | 1.43Å | 1.43Å | |
| C16 | O15 | sing | 1.43Å | 1.43Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.08Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| C37 | H26 | sing | 1.09Å | 1.10Å | |
| C37 | H27 | sing | 1.09Å | 1.10Å | |
| C37 | H28 | sing | 1.09Å | 1.10Å | |
| C4 | H29 | sing | 1.09Å | 1.10Å | |
| C40 | H30 | sing | 1.09Å | 1.10Å | |
| C42 | H31 | sing | 1.09Å | 1.10Å | |
| C42 | H32 | sing | 1.09Å | 1.10Å | |
| C42 | H33 | sing | 1.09Å | 1.10Å | |
| C43 | H34 | sing | 1.09Å | 1.10Å | |
| C43 | H35 | sing | 1.09Å | 1.10Å | |
| C44 | H36 | sing | 1.09Å | 1.10Å | |
| C46 | H37 | sing | 1.09Å | 1.10Å | |
| C46 | H38 | sing | 1.09Å | 1.10Å | |
| C46 | H39 | sing | 1.09Å | 1.10Å | |
| C47 | H40 | sing | 1.08Å | 1.08Å | |
| C48 | H41 | sing | 1.08Å | 1.08Å | |
| C49 | H42 | sing | 1.08Å | 1.08Å | |
| C50 | H43 | sing | 1.08Å | 1.08Å | |
| C51 | H44 | sing | 1.07Å | 1.08Å | |
| C53 | H45 | sing | 1.09Å | 1.10Å | |
| C53 | H46 | sing | 1.09Å | 1.10Å | |
| C53 | H47 | sing | 1.09Å | 1.10Å | |
| C54 | H48 | sing | 1.09Å | 1.10Å | |
| C56 | H49 | sing | 1.09Å | 1.10Å | |
| C56 | H50 | sing | 1.09Å | 1.10Å | |
| C57 | H51 | sing | 1.10Å | 1.10Å | |
| C6 | H52 | sing | 1.09Å | 1.10Å | |
| C67 | H53 | sing | 1.09Å | 1.10Å | |
| C67 | H54 | sing | 1.09Å | 1.10Å | |
| C68 | H55 | sing | 1.09Å | 1.10Å | |
| C68 | H56 | sing | 1.09Å | 1.10Å | |
| C69 | H57 | sing | 1.09Å | 1.10Å | |
| C69 | H58 | sing | 1.09Å | 1.10Å | |
| C70 | H59 | sing | 1.09Å | 1.10Å | |
| C70 | H60 | sing | 1.09Å | 1.10Å | |
| C71 | H61 | sing | 1.09Å | 1.10Å | |
| C73 | H62 | sing | 1.09Å | 1.10Å | |
| C75 | H63 | sing | 1.09Å | 1.10Å | |
| C75 | H64 | sing | 1.09Å | 1.10Å | |
| C75 | H65 | sing | 1.09Å | 1.10Å | |
| C76 | H66 | sing | 1.09Å | 1.10Å | |
| C76 | H67 | sing | 1.09Å | 1.10Å | |
| C77 | H68 | sing | 1.09Å | 1.10Å | |
| C77 | H69 | sing | 1.09Å | 1.10Å | |
| C79 | H70 | sing | 1.09Å | 1.10Å | |
| C79 | H71 | sing | 1.09Å | 1.10Å | |
| C79 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | H73 | sing | 1.09Å | 1.10Å | |
| C8 | H74 | sing | 1.09Å | 1.10Å | |
| C8 | H75 | sing | 1.09Å | 1.10Å | |
| C9 | H76 | sing | 1.09Å | 1.10Å | |
| C9 | H77 | sing | 1.09Å | 1.10Å | |
| O19 | H78 | sing | 0.97Å | 0.95Å | |
| O33 | H79 | sing | 0.97Å | 0.95Å | |
| O61 | H80 | sing | 0.97Å | 0.95Å | |
| O80 | H81 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C79 | O78 | C54 | 114.8° | 114.0° |
| O78 | C79 | H70 | 109.5° | 109.4° |
| O78 | C79 | H71 | 109.4° | 109.5° |
| O78 | C79 | H72 | 109.4° | 109.5° |
| O78 | C54 | C52 | 111.3° | 109.9° |
| O78 | C54 | C56 | 107.8° | 109.5° |
| O78 | C54 | H48 | 110.1° | 109.2° |
| C53 | C52 | C54 | 119.2° | 119.4° |
| C53 | C52 | C51 | 120.9° | 118.7° |
| C52 | C53 | H45 | 109.5° | 109.4° |
| C52 | C53 | H46 | 109.4° | 109.5° |
| C52 | C53 | H47 | 109.4° | 109.5° |
| C54 | C52 | C51 | 119.9° | 121.8° |
| C52 | C54 | C56 | 109.2° | 109.1° |
| C52 | C54 | H48 | 109.1° | 109.4° |
| C52 | C51 | C50 | 123.8° | 117.1° |
| C52 | C51 | H44 | 118.1° | 120.6° |
| C54 | C56 | C57 | 114.6° | 112.6° |
| C56 | C54 | H48 | 109.1° | 109.8° |
| C54 | C56 | H49 | 108.2° | 108.8° |
| C54 | C56 | H50 | 108.2° | 109.6° |
| C67 | C68 | C69 | 110.6° | 111.9° |
| C68 | C67 | N66 | 111.2° | 108.2° |
| C68 | C67 | H53 | 109.0° | 109.9° |
| C68 | C67 | H54 | 109.1° | 109.8° |
| C67 | C68 | H55 | 109.2° | 109.0° |
| C67 | C68 | H56 | 109.2° | 108.8° |
| C68 | C69 | C70 | 109.4° | 112.3° |
| C69 | C68 | H55 | 109.2° | 108.8° |
| C69 | C68 | H56 | 109.2° | 109.2° |
| C68 | C69 | H57 | 109.5° | 108.9° |
| C68 | C69 | H58 | 109.5° | 108.7° |
| O63 | C62 | C60 | 119.4° | 115.6° |
| O63 | C62 | C64 | 115.5° | 114.2° |
| O61 | C60 | O59 | 108.8° | 107.8° |
| O61 | C60 | C62 | 111.6° | 109.4° |
| O61 | C60 | C73 | 109.6° | 108.0° |
| C60 | O61 | H80 | 109.5° | 114.0° |
| C56 | C57 | O59 | 102.5° | 112.8° |
| C56 | C57 | C77 | 112.1° | 111.4° |
| C57 | C56 | H49 | 108.2° | 108.4° |
| C57 | C56 | H50 | 108.2° | 109.0° |
| C56 | C57 | H51 | 109.8° | 108.1° |
| C51 | C50 | C49 | 120.3° | 120.8° |
| C51 | C50 | H43 | 119.8° | 119.0° |
| C50 | C51 | H44 | 118.1° | 122.3° |
| C50 | C49 | C48 | 119.1° | 118.9° |
| C50 | C49 | H42 | 120.5° | 120.8° |
| C49 | C50 | H43 | 119.8° | 120.1° |
| C67 | N66 | C64 | 120.5° | 119.1° |
| C67 | N66 | C71 | 117.2° | 118.1° |
| N66 | C67 | H53 | 109.0° | 109.4° |
| N66 | C67 | H54 | 109.0° | 109.7° |
| O59 | C57 | C77 | 111.3° | 109.2° |
| C57 | O59 | C60 | 121.4° | 113.0° |
| O59 | C57 | H51 | 111.3° | 107.3° |
| C57 | C77 | C76 | 110.1° | 109.2° |
| C77 | C57 | H51 | 109.7° | 107.9° |
| C57 | C77 | H68 | 109.3° | 108.9° |
| C57 | C77 | H69 | 109.3° | 109.8° |
| O59 | C60 | C62 | 104.0° | 113.3° |
| O59 | C60 | C73 | 107.7° | 108.7° |
| C69 | C70 | C71 | 113.2° | 110.4° |
| C70 | C69 | H57 | 109.5° | 109.0° |
| C70 | C69 | H58 | 109.5° | 108.8° |
| C69 | C70 | H59 | 108.5° | 109.3° |
| C69 | C70 | H60 | 108.5° | 109.6° |
| C60 | C62 | C64 | 124.9° | 130.2° |
| C62 | C60 | C73 | 114.8° | 109.5° |
| C62 | C64 | N66 | 124.8° | 122.2° |
| C62 | C64 | O65 | 113.5° | 119.3° |
| C60 | C73 | C76 | 109.9° | 110.3° |
| C60 | C73 | C75 | 112.2° | 110.1° |
| C60 | C73 | H62 | 108.4° | 109.0° |
| C27 | C25 | C23 | 112.4° | 110.1° |
| C27 | C25 | C28 | 109.0° | 108.7° |
| C27 | C25 | H16 | 108.1° | 108.4° |
| C25 | C27 | H17 | 109.5° | 109.5° |
| C25 | C27 | H18 | 109.4° | 109.5° |
| C25 | C27 | H19 | 109.5° | 109.4° |
| O80 | C23 | C25 | 111.5° | 109.3° |
| O80 | C23 | C22 | 106.4° | 109.6° |
| O80 | C23 | H15 | 109.3° | 108.9° |
| C23 | O80 | H81 | 109.5° | 114.0° |
| C49 | C48 | C47 | 121.3° | 118.9° |
| C49 | C48 | H41 | 119.3° | 119.3° |
| C48 | C49 | H42 | 120.5° | 120.3° |
| C48 | C47 | C44 | 121.8° | 120.7° |
| C48 | C47 | H40 | 119.1° | 120.0° |
| C47 | C48 | H41 | 119.3° | 121.9° |
| C64 | N66 | C71 | 122.3° | 122.8° |
| N66 | C64 | O65 | 121.7° | 118.5° |
| N66 | C71 | C70 | 110.3° | 109.2° |
| N66 | C71 | C2 | 116.1° | 113.0° |
| N66 | C71 | H61 | 107.6° | 109.5° |
| C77 | C76 | C73 | 112.5° | 110.6° |
| C77 | C76 | H66 | 108.7° | 109.4° |
| C77 | C76 | H67 | 108.7° | 109.5° |
| C76 | C77 | H68 | 109.3° | 109.3° |
| C76 | C77 | H69 | 109.3° | 110.4° |
| C70 | C71 | C2 | 107.6° | 108.2° |
| C71 | C70 | H59 | 108.5° | 109.2° |
| C71 | C70 | H60 | 108.5° | 109.0° |
| C70 | C71 | H61 | 107.2° | 107.7° |
| C47 | C44 | C46 | 109.0° | 109.6° |
| C47 | C44 | C43 | 113.9° | 107.5° |
| C47 | C44 | H36 | 108.6° | 110.0° |
| C44 | C47 | H40 | 119.1° | 119.3° |
| C46 | C44 | C43 | 108.4° | 109.7° |
| C46 | C44 | H36 | 108.4° | 109.9° |
| C44 | C46 | H37 | 109.5° | 109.5° |
| C44 | C46 | H38 | 109.5° | 109.5° |
| C44 | C46 | H39 | 109.4° | 109.5° |
| C44 | C43 | C40 | 117.2° | 110.9° |
| C44 | C43 | H34 | 107.5° | 108.5° |
| C44 | C43 | H35 | 107.5° | 109.8° |
| C43 | C44 | H36 | 108.4° | 110.2° |
| C42 | C40 | C43 | 111.0° | 109.9° |
| C42 | C40 | C38 | 114.1° | 109.1° |
| C42 | C40 | H30 | 107.5° | 109.6° |
| C40 | C42 | H31 | 109.5° | 109.4° |
| C40 | C42 | H32 | 109.5° | 109.4° |
| C40 | C42 | H33 | 109.5° | 109.5° |
| C23 | C25 | C28 | 111.0° | 108.9° |
| C25 | C23 | C22 | 113.5° | 110.7° |
| C25 | C23 | H15 | 107.9° | 109.0° |
| C23 | C25 | H16 | 108.0° | 109.5° |
| C25 | C28 | C29 | 128.5° | 123.3° |
| C28 | C25 | H16 | 108.3° | 111.2° |
| C25 | C28 | H20 | 115.7° | 118.6° |
| C76 | C73 | C75 | 109.3° | 110.4° |
| C76 | C73 | H62 | 108.5° | 108.5° |
| C73 | C76 | H66 | 108.7° | 109.4° |
| C73 | C76 | H67 | 108.7° | 109.2° |
| C75 | C73 | H62 | 108.5° | 108.4° |
| C73 | C75 | H63 | 109.5° | 109.5° |
| C73 | C75 | H64 | 109.4° | 109.5° |
| C73 | C75 | H65 | 109.4° | 109.4° |
| C23 | C22 | C4 | 114.6° | 109.4° |
| C23 | C22 | H13 | 108.2° | 110.3° |
| C23 | C22 | H14 | 108.2° | 110.1° |
| C22 | C23 | H15 | 108.1° | 109.3° |
| C71 | C2 | O3 | 120.1° | 117.4° |
| C71 | C2 | O1 | 117.6° | 121.2° |
| C2 | C71 | H61 | 107.6° | 109.0° |
| C2 | O3 | C4 | 122.8° | 120.3° |
| O3 | C2 | O1 | 122.3° | 121.5° |
| O3 | C4 | C22 | 103.8° | 108.2° |
| O3 | C4 | C6 | 109.3° | 109.9° |
| O3 | C4 | H29 | 110.3° | 110.1° |
| C43 | C40 | C38 | 108.5° | 109.0° |
| C43 | C40 | H30 | 107.7° | 109.9° |
| C40 | C43 | H34 | 107.5° | 108.8° |
| C40 | C43 | H35 | 107.5° | 109.6° |
| C40 | C38 | O39 | 120.6° | 119.6° |
| C40 | C38 | C34 | 120.1° | 120.1° |
| C38 | C40 | H30 | 107.8° | 109.3° |
| C22 | C4 | C6 | 115.2° | 109.3° |
| C4 | C22 | H13 | 108.2° | 109.0° |
| C4 | C22 | H14 | 108.2° | 108.0° |
| C22 | C4 | H29 | 109.1° | 109.3° |
| C28 | C29 | C30 | 124.9° | 122.1° |
| C28 | C29 | C31 | 122.2° | 119.1° |
| C29 | C28 | H20 | 115.8° | 118.2° |
| C4 | C6 | C8 | 112.2° | 109.5° |
| C4 | C6 | C9 | 114.7° | 109.4° |
| C6 | C4 | H29 | 108.9° | 110.1° |
| C4 | C6 | H52 | 108.0° | 109.5° |
| C30 | C29 | C31 | 112.9° | 118.8° |
| C29 | C30 | H21 | 109.5° | 109.5° |
| C29 | C30 | H22 | 109.4° | 109.4° |
| C29 | C30 | H23 | 109.5° | 109.4° |
| C29 | C31 | C34 | 113.1° | 109.1° |
| C29 | C31 | O33 | 113.9° | 109.2° |
| C29 | C31 | H24 | 106.1° | 108.9° |
| O39 | C38 | C34 | 119.2° | 120.3° |
| C38 | C34 | C31 | 116.7° | 110.4° |
| C38 | C34 | O36 | 110.5° | 109.5° |
| C38 | C34 | H25 | 107.9° | 109.1° |
| C8 | C6 | C9 | 105.5° | 109.5° |
| C8 | C6 | H52 | 108.1° | 109.5° |
| C6 | C8 | H73 | 109.5° | 109.4° |
| C6 | C8 | H74 | 109.5° | 109.5° |
| C6 | C8 | H75 | 109.5° | 109.5° |
| C6 | C9 | C10 | 117.7° | 109.5° |
| C9 | C6 | H52 | 108.2° | 109.5° |
| C6 | C9 | H76 | 107.3° | 109.5° |
| C6 | C9 | H77 | 107.4° | 109.4° |
| C31 | C34 | O36 | 104.8° | 110.0° |
| C34 | C31 | O33 | 109.8° | 109.7° |
| C34 | C31 | H24 | 106.1° | 110.1° |
| C31 | C34 | H25 | 107.8° | 108.8° |
| C34 | O36 | C37 | 117.2° | 114.1° |
| O36 | C34 | H25 | 108.9° | 109.1° |
| O33 | C31 | H24 | 107.3° | 110.0° |
| C31 | O33 | H79 | 109.5° | 114.0° |
| C9 | C10 | C21 | 114.2° | 109.5° |
| C9 | C10 | C12 | 106.0° | 109.5° |
| C9 | C10 | H1 | 109.1° | 109.4° |
| C10 | C9 | H76 | 107.4° | 109.5° |
| C10 | C9 | H77 | 107.4° | 109.4° |
| O36 | C37 | H26 | 109.5° | 109.4° |
| O36 | C37 | H27 | 109.5° | 109.5° |
| O36 | C37 | H28 | 109.5° | 109.5° |
| C21 | C10 | C12 | 109.3° | 109.5° |
| C10 | C21 | C20 | 110.6° | 109.5° |
| C21 | C10 | H1 | 109.0° | 109.5° |
| C10 | C21 | H11 | 109.2° | 109.5° |
| C10 | C21 | H12 | 109.2° | 109.5° |
| C10 | C12 | C13 | 109.8° | 109.4° |
| C12 | C10 | H1 | 109.1° | 109.5° |
| C10 | C12 | H2 | 109.4° | 109.4° |
| C10 | C12 | H3 | 109.4° | 109.4° |
| C21 | C20 | C17 | 112.0° | 109.4° |
| C21 | C20 | H9 | 108.8° | 109.5° |
| C21 | C20 | H10 | 108.8° | 109.5° |
| C20 | C21 | H11 | 109.2° | 109.5° |
| C20 | C21 | H12 | 109.2° | 109.4° |
| C12 | C13 | C17 | 109.7° | 109.4° |
| C12 | C13 | O15 | 109.1° | 109.4° |
| C13 | C12 | H2 | 109.4° | 109.5° |
| C13 | C12 | H3 | 109.4° | 109.5° |
| C12 | C13 | H4 | 109.1° | 109.5° |
| C20 | C17 | C13 | 110.6° | 109.5° |
| C20 | C17 | O19 | 109.5° | 109.5° |
| C20 | C17 | H8 | 109.0° | 109.5° |
| C17 | C20 | H9 | 108.9° | 109.5° |
| C17 | C20 | H10 | 108.9° | 109.4° |
| C17 | C13 | O15 | 109.4° | 109.5° |
| C13 | C17 | O19 | 108.1° | 109.4° |
| C17 | C13 | H4 | 109.0° | 109.5° |
| C13 | C17 | H8 | 109.1° | 109.5° |
| C13 | O15 | C16 | 115.6° | 114.0° |
| O15 | C13 | H4 | 110.5° | 109.5° |
| O19 | C17 | H8 | 110.6° | 109.4° |
| C17 | O19 | H78 | 109.5° | 113.9° |
| O15 | C16 | H5 | 109.5° | 109.5° |
| O15 | C16 | H6 | 109.4° | 109.5° |
| O15 | C16 | H7 | 109.4° | 109.5° |
| H2 | C12 | H3 | 109.5° | 109.6° |
| H5 | C16 | H6 | 109.5° | 109.4° |
| H5 | C16 | H7 | 109.5° | 109.4° |
| H6 | C16 | H7 | 109.5° | 109.5° |
| H9 | C20 | H10 | 109.5° | 109.5° |
| H11 | C21 | H12 | 109.5° | 109.5° |
| H13 | C22 | H14 | 109.4° | 110.0° |
| H17 | C27 | H18 | 109.4° | 109.5° |
| H17 | C27 | H19 | 109.5° | 109.4° |
| H18 | C27 | H19 | 109.5° | 109.5° |
| H21 | C30 | H22 | 109.5° | 109.5° |
| H21 | C30 | H23 | 109.4° | 109.5° |
| H22 | C30 | H23 | 109.5° | 109.5° |
| H26 | C37 | H27 | 109.5° | 109.5° |
| H26 | C37 | H28 | 109.4° | 109.4° |
| H27 | C37 | H28 | 109.5° | 109.5° |
| H31 | C42 | H32 | 109.4° | 109.5° |
| H31 | C42 | H33 | 109.4° | 109.6° |
| H32 | C42 | H33 | 109.5° | 109.5° |
| H34 | C43 | H35 | 109.5° | 109.1° |
| H37 | C46 | H38 | 109.5° | 109.5° |
| H37 | C46 | H39 | 109.5° | 109.4° |
| H38 | C46 | H39 | 109.5° | 109.5° |
| H45 | C53 | H46 | 109.5° | 109.4° |
| H45 | C53 | H47 | 109.4° | 109.5° |
| H46 | C53 | H47 | 109.5° | 109.5° |
| H49 | C56 | H50 | 109.5° | 108.3° |
| H53 | C67 | H54 | 109.4° | 109.8° |
| H55 | C68 | H56 | 109.5° | 108.9° |
| H57 | C69 | H58 | 109.5° | 109.1° |
| H59 | C70 | H60 | 109.5° | 109.4° |
| H63 | C75 | H64 | 109.5° | 109.5° |
| H63 | C75 | H65 | 109.5° | 109.4° |
| H64 | C75 | H65 | 109.5° | 109.5° |
| H66 | C76 | H67 | 109.5° | 108.7° |
| H68 | C77 | H69 | 109.5° | 109.2° |
| H70 | C79 | H71 | 109.5° | 109.4° |
| H70 | C79 | H72 | 109.5° | 109.5° |
| H71 | C79 | H72 | 109.5° | 109.5° |
| H73 | C8 | H74 | 109.5° | 109.5° |
| H73 | C8 | H75 | 109.5° | 109.4° |
| H74 | C8 | H75 | 109.5° | 109.5° |
| H76 | C9 | H77 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C79 | O78 | C54 | C52 | 63.0° | 90.0° |
| C79 | O78 | C54 | C56 | 177.2° | 150.2° |
| C79 | O78 | C54 | H48 | 58.2° | 30.0° |
| O78 | C79 | H70 | H71 | 120.0° | 120.0° |
| O78 | C79 | H70 | H72 | 120.0° | 120.0° |
| O78 | C79 | H71 | H72 | 120.0° | 120.1° |
| O78 | C54 | C52 | C53 | 51.3° | 166.2° |
| O78 | C54 | C52 | C56 | 119.0° | 120.1° |
| O78 | C54 | C52 | H48 | 121.8° | 119.9° |
| O78 | C54 | C52 | C51 | 127.2° | 13.0° |
| O78 | C54 | C56 | H48 | 119.6° | 119.8° |
| O78 | C54 | C56 | C57 | 68.1° | 105.9° |
| O78 | C54 | C56 | H49 | 52.6° | 14.3° |
| O78 | C54 | C56 | H50 | 171.1° | 132.6° |
| C54 | O78 | C79 | H70 | 180.0° | 180.0° |
| C54 | O78 | C79 | H71 | 60.0° | 60.0° |
| C54 | O78 | C79 | H72 | 60.0° | 60.0° |
| C53 | C52 | C54 | C51 | 178.5° | 179.2° |
| C53 | C52 | C54 | C56 | 67.7° | 73.8° |
| C53 | C52 | C51 | C50 | 2.3° | 1.0° |
| C53 | C52 | C51 | H44 | 177.7° | 176.5° |
| C52 | C53 | H45 | H46 | 120.0° | 120.0° |
| C52 | C53 | H45 | H47 | 120.0° | 120.0° |
| C52 | C53 | H46 | H47 | 120.0° | 120.0° |
| C53 | C52 | C54 | H48 | 173.1° | 46.3° |
| C52 | C54 | C56 | H48 | 119.3° | 119.8° |
| C52 | C54 | C56 | C57 | 170.8° | 133.7° |
| C54 | C52 | C51 | C50 | 179.2° | 179.8° |
| C54 | C52 | C51 | H44 | 0.8° | 2.7° |
| C54 | C52 | C53 | H45 | 180.0° | 90.0° |
| C54 | C52 | C53 | H46 | 60.0° | 150.0° |
| C54 | C52 | C53 | H47 | 60.0° | 30.0° |
| C52 | C54 | C56 | H49 | 68.5° | 106.0° |
| C52 | C54 | C56 | H50 | 50.0° | 12.3° |
| C51 | C52 | C54 | C56 | 113.8° | 107.0° |
| C52 | C51 | C50 | H44 | 180.0° | 177.5° |
| C52 | C51 | C50 | C49 | 173.6° | 119.1° |
| C52 | C51 | C50 | H43 | 6.4° | 61.4° |
| C51 | C52 | C53 | H45 | 1.4° | 90.7° |
| C51 | C52 | C53 | H46 | 121.5° | 29.2° |
| C51 | C52 | C53 | H47 | 118.5° | 149.3° |
| C51 | C52 | C54 | H48 | 5.5° | 132.9° |
| C54 | C56 | C57 | H49 | 120.8° | 120.4° |
| C54 | C56 | C57 | H50 | 120.8° | 121.8° |
| C54 | C56 | C57 | O59 | 162.4° | 41.0° |
| C54 | C56 | C57 | C77 | 78.1° | 82.1° |
| C54 | C56 | H49 | H50 | 117.7° | 119.1° |
| C54 | C56 | C57 | H51 | 44.1° | 159.5° |
| C67 | C68 | C69 | H55 | 120.2° | 120.6° |
| C67 | C68 | C69 | H56 | 120.2° | 120.6° |
| C68 | C67 | N66 | H53 | 120.3° | 119.7° |
| C68 | C67 | N66 | H54 | 120.3° | 119.8° |
| C67 | C68 | C69 | C70 | 59.6° | 6.4° |
| C68 | C67 | N66 | C64 | 131.0° | 127.0° |
| C68 | C67 | N66 | C71 | 48.2° | 50.5° |
| C68 | C67 | H53 | H54 | 119.2° | 120.8° |
| C67 | C68 | H55 | H56 | 119.4° | 118.7° |
| C67 | C68 | C69 | H57 | 179.6° | 127.2° |
| C67 | C68 | C69 | H58 | 60.4° | 114.0° |
| C69 | C68 | C67 | N66 | 53.9° | 55.6° |
| C68 | C69 | C70 | H57 | 120.0° | 120.8° |
| C68 | C69 | C70 | H58 | 120.0° | 120.3° |
| C68 | C69 | C70 | C71 | 58.6° | 50.0° |
| C69 | C68 | C67 | H53 | 66.4° | 63.8° |
| C69 | C68 | C67 | H54 | 174.2° | 175.3° |
| C69 | C68 | H55 | H56 | 119.5° | 119.0° |
| C68 | C69 | H57 | H58 | 120.0° | 118.5° |
| C68 | C69 | C70 | H59 | 61.9° | 170.1° |
| C68 | C69 | C70 | H60 | 179.2° | 70.1° |
| O63 | C62 | C60 | O61 | 17.2° | 124.7° |
| O63 | C62 | C60 | O59 | 100.0° | 115.0° |
| O63 | C62 | C60 | C64 | 174.6° | 179.2° |
| O63 | C62 | C60 | C73 | 142.6° | 6.5° |
| O63 | C62 | C64 | N66 | 83.4° | 46.1° |
| O63 | C62 | C64 | O65 | 96.9° | 136.8° |
| O61 | C60 | O59 | C57 | 62.2° | 64.9° |
| O61 | C60 | O59 | C62 | 119.1° | 121.2° |
| O61 | C60 | O59 | C73 | 118.8° | 116.8° |
| O61 | C60 | C62 | C73 | 125.5° | 118.1° |
| O61 | C60 | C62 | C64 | 168.2° | 56.1° |
| O61 | C60 | C73 | C76 | 64.2° | 130.5° |
| O61 | C60 | C73 | C75 | 57.6° | 8.4° |
| O61 | C60 | C73 | H62 | 177.4° | 110.4° |
| C56 | C57 | O59 | C77 | 120.0° | 124.4° |
| C56 | C57 | O59 | H51 | 117.3° | 118.9° |
| C56 | C57 | C77 | H51 | 122.3° | 118.5° |
| C56 | C57 | O59 | C60 | 173.2° | 164.0° |
| C56 | C57 | C77 | C76 | 160.0° | 144.2° |
| C57 | C56 | C54 | H48 | 51.5° | 13.9° |
| C57 | C56 | H49 | H50 | 117.7° | 118.1° |
| C56 | C57 | C77 | H68 | 39.9° | 24.9° |
| C56 | C57 | C77 | H69 | 79.9° | 94.6° |
| C51 | C50 | C49 | H43 | 180.0° | 179.5° |
| C51 | C50 | C49 | C48 | 176.7° | 179.0° |
| C51 | C50 | C49 | H42 | 3.3° | 0.1° |
| C50 | C49 | C48 | H42 | 180.0° | 178.9° |
| C50 | C49 | C48 | C47 | 172.6° | 167.7° |
| C50 | C49 | C48 | H41 | 7.4° | 12.7° |
| C49 | C50 | C51 | H44 | 6.4° | 58.4° |
| C67 | N66 | C64 | C62 | 0.4° | 21.4° |
| C67 | N66 | C64 | C71 | 179.2° | 177.4° |
| C67 | N66 | C64 | O65 | 180.0° | 155.7° |
| C67 | N66 | C71 | C70 | 45.5° | 5.1° |
| C67 | N66 | C71 | C2 | 77.3° | 125.7° |
| N66 | C67 | H53 | H54 | 119.2° | 120.5° |
| N66 | C67 | C68 | H55 | 66.3° | 64.9° |
| N66 | C67 | C68 | H56 | 174.1° | 176.4° |
| C67 | N66 | C71 | H61 | 162.2° | 112.6° |
| O59 | C57 | C77 | H51 | 123.6° | 116.4° |
| C57 | O59 | C60 | C62 | 178.7° | 173.9° |
| C57 | O59 | C60 | C73 | 56.5° | 51.9° |
| O59 | C57 | C77 | C76 | 45.9° | 19.1° |
| O59 | C57 | C56 | H49 | 41.7° | 161.5° |
| O59 | C57 | C56 | H50 | 76.8° | 80.8° |
| O59 | C57 | C77 | H68 | 74.3° | 100.2° |
| O59 | C57 | C77 | H69 | 165.9° | 140.3° |
| C77 | C57 | O59 | C60 | 53.2° | 71.7° |
| C57 | C77 | C76 | H68 | 120.1° | 119.1° |
| C57 | C77 | C76 | H69 | 120.1° | 120.8° |
| C57 | C77 | C76 | C73 | 50.7° | 42.1° |
| C77 | C57 | C56 | H49 | 161.2° | 38.3° |
| C77 | C57 | C56 | H50 | 42.7° | 156.0° |
| C57 | C77 | C76 | H66 | 171.1° | 162.7° |
| C57 | C77 | C76 | H67 | 69.8° | 78.3° |
| C57 | C77 | H68 | H69 | 119.7° | 119.9° |
| O59 | C60 | C62 | C73 | 117.4° | 121.5° |
| O59 | C60 | C62 | C64 | 74.6° | 64.3° |
| O59 | C60 | C73 | C76 | 54.0° | 13.8° |
| O59 | C60 | C73 | C75 | 175.8° | 108.3° |
| C60 | O59 | C57 | H51 | 69.5° | 45.0° |
| O59 | C60 | C73 | H62 | 64.4° | 132.9° |
| O59 | C60 | O61 | H80 | 106.5° | 62.7° |
| C69 | C70 | C71 | N66 | 50.3° | 56.4° |
| C69 | C70 | C71 | H59 | 120.5° | 120.2° |
| C69 | C70 | C71 | H60 | 120.6° | 120.4° |
| C69 | C70 | C71 | C2 | 77.4° | 179.9° |
| C70 | C69 | C68 | H55 | 60.6° | 114.2° |
| C70 | C69 | C68 | H56 | 179.8° | 127.0° |
| C70 | C69 | H57 | H58 | 120.1° | 118.7° |
| C69 | C70 | H59 | H60 | 118.3° | 119.9° |
| C69 | C70 | C71 | H61 | 167.2° | 62.4° |
| C60 | C62 | C64 | N66 | 91.4° | 134.7° |
| C60 | C62 | C64 | O65 | 88.3° | 42.4° |
| C62 | C60 | C73 | C76 | 169.3° | 110.5° |
| C62 | C60 | C73 | C75 | 68.9° | 127.4° |
| C62 | C60 | C73 | H62 | 50.9° | 8.6° |
| C62 | C60 | O61 | H80 | 7.7° | 60.9° |
| C64 | C62 | C60 | C73 | 42.7° | 174.2° |
| C62 | C64 | N66 | O65 | 179.6° | 177.1° |
| C62 | C64 | N66 | C71 | 179.6° | 156.0° |
| C60 | C73 | C76 | C77 | 55.6° | 60.9° |
| C60 | C73 | C76 | C75 | 123.5° | 121.9° |
| C60 | C73 | C76 | H62 | 118.4° | 119.4° |
| C60 | C73 | C75 | H62 | 119.7° | 119.2° |
| C60 | C73 | C75 | H63 | 180.0° | 59.9° |
| C60 | C73 | C75 | H64 | 60.0° | 180.0° |
| C60 | C73 | C75 | H65 | 60.0° | 60.0° |
| C60 | C73 | C76 | H66 | 176.0° | 178.5° |
| C60 | C73 | C76 | H67 | 64.9° | 59.7° |
| C73 | C60 | O61 | H80 | 135.9° | 180.0° |
| C27 | C25 | C23 | O80 | 47.7° | 77.3° |
| C27 | C25 | C23 | C28 | 122.4° | 119.1° |
| C27 | C25 | C23 | H16 | 119.1° | 119.0° |
| C27 | C25 | C28 | H16 | 117.3° | 119.2° |
| C27 | C25 | C23 | C22 | 167.8° | 43.6° |
| C27 | C25 | C28 | C29 | 130.8° | 142.9° |
| C27 | C25 | C23 | H15 | 72.4° | 163.8° |
| C25 | C27 | H17 | H18 | 120.0° | 120.0° |
| C25 | C27 | H17 | H19 | 120.0° | 119.9° |
| C25 | C27 | H18 | H19 | 120.0° | 120.0° |
| C27 | C25 | C28 | H20 | 49.2° | 37.3° |
| O80 | C23 | C25 | C22 | 120.1° | 120.8° |
| O80 | C23 | C25 | H15 | 120.1° | 118.9° |
| O80 | C23 | C25 | C28 | 170.1° | 41.8° |
| O80 | C23 | C22 | H15 | 117.4° | 119.2° |
| O80 | C23 | C22 | C4 | 96.9° | 73.7° |
| O80 | C23 | C22 | H13 | 142.4° | 166.4° |
| O80 | C23 | C22 | H14 | 23.9° | 44.9° |
| O80 | C23 | C25 | H16 | 71.4° | 163.7° |
| C49 | C48 | C47 | H41 | 180.0° | 179.6° |
| C49 | C48 | C47 | C44 | 178.1° | 179.4° |
| C49 | C48 | C47 | H40 | 1.9° | 0.8° |
| C48 | C49 | C50 | H43 | 3.3° | 1.5° |
| C48 | C47 | C44 | H40 | 180.0° | 179.8° |
| C48 | C47 | C44 | C46 | 143.2° | 116.1° |
| C48 | C47 | C44 | C43 | 95.6° | 124.8° |
| C48 | C47 | C44 | H36 | 25.3° | 4.8° |
| C47 | C48 | C49 | H42 | 7.4° | 11.2° |
| C64 | N66 | C71 | C70 | 133.7° | 177.5° |
| C64 | N66 | C71 | C2 | 103.5° | 56.9° |
| C64 | N66 | C67 | H53 | 108.7° | 113.3° |
| C64 | N66 | C67 | H54 | 10.7° | 7.3° |
| C64 | N66 | C71 | H61 | 17.1° | 64.8° |
| C71 | N66 | C64 | O65 | 0.8° | 26.9° |
| N66 | C71 | C70 | C2 | 127.6° | 123.4° |
| N66 | C71 | C70 | H61 | 116.9° | 118.8° |
| N66 | C71 | C2 | H61 | 120.6° | 122.0° |
| N66 | C71 | C2 | O3 | 14.3° | 171.0° |
| N66 | C71 | C2 | O1 | 166.1° | 9.8° |
| C71 | N66 | C67 | H53 | 72.0° | 69.2° |
| C71 | N66 | C67 | H54 | 168.5° | 170.3° |
| N66 | C71 | C70 | H59 | 70.3° | 176.6° |
| N66 | C71 | C70 | H60 | 170.8° | 63.9° |
| C77 | C76 | C73 | H66 | 120.4° | 120.6° |
| C77 | C76 | C73 | H67 | 120.5° | 120.6° |
| C77 | C76 | C73 | C75 | 179.1° | 61.0° |
| C76 | C77 | C57 | H51 | 77.7° | 97.3° |
| C77 | C76 | C73 | H62 | 62.8° | 179.7° |
| C77 | C76 | H66 | H67 | 118.6° | 119.5° |
| C76 | C77 | H68 | H69 | 119.7° | 120.9° |
| C70 | C71 | C2 | H61 | 115.2° | 116.9° |
| C70 | C71 | C2 | O3 | 109.9° | 67.9° |
| C70 | C71 | C2 | O1 | 69.7° | 111.3° |
| C71 | C70 | C69 | H57 | 178.6° | 70.8° |
| C71 | C70 | C69 | H58 | 61.4° | 170.3° |
| C71 | C70 | H59 | H60 | 118.3° | 119.2° |
| C47 | C44 | C46 | C43 | 124.5° | 117.8° |
| C47 | C44 | C46 | H36 | 118.1° | 120.9° |
| C47 | C44 | C43 | H36 | 121.0° | 119.9° |
| C47 | C44 | C43 | C40 | 59.0° | 125.0° |
| C47 | C44 | C43 | H34 | 179.9° | 5.5° |
| C47 | C44 | C43 | H35 | 62.1° | 113.7° |
| C47 | C44 | C46 | H37 | 180.0° | 177.8° |
| C47 | C44 | C46 | H38 | 60.0° | 62.2° |
| C47 | C44 | C46 | H39 | 60.0° | 57.8° |
| C44 | C47 | C48 | H41 | 1.9° | 0.2° |
| C46 | C44 | C43 | H36 | 117.4° | 121.1° |
| C46 | C44 | C43 | C40 | 179.5° | 116.0° |
| C46 | C44 | C43 | H34 | 58.4° | 124.6° |
| C46 | C44 | C43 | H35 | 59.4° | 5.4° |
| C44 | C46 | H37 | H38 | 120.0° | 120.0° |
| C44 | C46 | H37 | H39 | 120.0° | 120.0° |
| C44 | C46 | H38 | H39 | 120.0° | 120.0° |
| C46 | C44 | C47 | H40 | 36.8° | 64.1° |
| C44 | C43 | C40 | C42 | 76.7° | 82.3° |
| C44 | C43 | C40 | H34 | 121.1° | 119.3° |
| C44 | C43 | C40 | H35 | 121.1° | 121.5° |
| C44 | C43 | C40 | C38 | 157.2° | 158.3° |
| C44 | C43 | C40 | H30 | 40.7° | 38.5° |
| C44 | C43 | H34 | H35 | 116.5° | 119.6° |
| C43 | C44 | C46 | H37 | 55.5° | 59.9° |
| C43 | C44 | C46 | H38 | 175.5° | 180.0° |
| C43 | C44 | C46 | H39 | 64.5° | 60.0° |
| C43 | C44 | C47 | H40 | 84.4° | 55.0° |
| C42 | C40 | C43 | C38 | 126.1° | 119.4° |
| C42 | C40 | C43 | H30 | 117.4° | 120.8° |
| C42 | C40 | C38 | H30 | 119.3° | 119.9° |
| C42 | C40 | C38 | O39 | 28.6° | 87.6° |
| C42 | C40 | C38 | C34 | 154.3° | 92.3° |
| C40 | C42 | H31 | H32 | 120.0° | 119.9° |
| C40 | C42 | H31 | H33 | 120.0° | 120.0° |
| C40 | C42 | H32 | H33 | 120.0° | 120.0° |
| C42 | C40 | C43 | H34 | 44.4° | 158.5° |
| C42 | C40 | C43 | H35 | 162.2° | 39.2° |
| C23 | C25 | C28 | H16 | 118.4° | 120.8° |
| C25 | C23 | C22 | H15 | 119.7° | 120.1° |
| C25 | C23 | C22 | C4 | 140.2° | 165.7° |
| C23 | C25 | C28 | C29 | 104.9° | 97.1° |
| C25 | C23 | C22 | H13 | 19.4° | 45.8° |
| C25 | C23 | C22 | H14 | 99.1° | 75.8° |
| C23 | C25 | C27 | H17 | 180.0° | 59.9° |
| C23 | C25 | C27 | H18 | 60.0° | 180.0° |
| C23 | C25 | C27 | H19 | 60.0° | 59.9° |
| C23 | C25 | C28 | H20 | 75.1° | 82.7° |
| C25 | C23 | O80 | H81 | 180.0° | 178.5° |
| C28 | C25 | C23 | C22 | 69.8° | 162.6° |
| C25 | C28 | C29 | H20 | 180.0° | 179.8° |
| C25 | C28 | C29 | C30 | 1.4° | 0.4° |
| C25 | C28 | C29 | C31 | 179.6° | 179.6° |
| C28 | C25 | C23 | H15 | 50.0° | 77.1° |
| C28 | C25 | C27 | H17 | 56.5° | 179.2° |
| C28 | C25 | C27 | H18 | 63.5° | 60.8° |
| C28 | C25 | C27 | H19 | 176.5° | 59.3° |
| C76 | C73 | C75 | H62 | 118.1° | 118.7° |
| C76 | C73 | C75 | H63 | 57.8° | 178.0° |
| C76 | C73 | C75 | H64 | 62.2° | 57.9° |
| C76 | C73 | C75 | H65 | 177.8° | 62.1° |
| C73 | C76 | H66 | H67 | 118.6° | 119.2° |
| C73 | C76 | C77 | H68 | 69.4° | 161.2° |
| C73 | C76 | C77 | H69 | 170.8° | 78.6° |
| C73 | C75 | H63 | H64 | 120.0° | 120.1° |
| C73 | C75 | H63 | H65 | 120.0° | 119.9° |
| C73 | C75 | H64 | H65 | 120.0° | 120.0° |
| C75 | C73 | C76 | H66 | 60.5° | 59.6° |
| C75 | C73 | C76 | H67 | 58.6° | 178.4° |
| C23 | C22 | C4 | O3 | 72.4° | 134.9° |
| C23 | C22 | C4 | H13 | 120.8° | 120.7° |
| C23 | C22 | C4 | H14 | 120.8° | 119.8° |
| C23 | C22 | C4 | C6 | 168.1° | 105.6° |
| C23 | C22 | H13 | H14 | 117.7° | 121.6° |
| C22 | C23 | C25 | H16 | 48.8° | 75.5° |
| C23 | C22 | C4 | H29 | 45.2° | 15.0° |
| C22 | C23 | O80 | H81 | 55.7° | 60.0° |
| C71 | C2 | O3 | O1 | 179.6° | 179.2° |
| C71 | C2 | O3 | C4 | 173.8° | 179.1° |
| C2 | C71 | C70 | H59 | 162.1° | 60.0° |
| C2 | C71 | C70 | H60 | 43.2° | 59.5° |
| C2 | O3 | C4 | C22 | 161.5° | 160.2° |
| C2 | O3 | C4 | C6 | 75.0° | 80.6° |
| C2 | O3 | C4 | H29 | 44.8° | 40.8° |
| O3 | C2 | C71 | H61 | 134.8° | 49.0° |
| O3 | C4 | C22 | C6 | 119.5° | 119.6° |
| O3 | C4 | C22 | H29 | 117.6° | 119.9° |
| C4 | O3 | C2 | O1 | 6.6° | 0.1° |
| O3 | C4 | C6 | H29 | 120.6° | 121.4° |
| O3 | C4 | C6 | C8 | 64.4° | 178.6° |
| O3 | C4 | C6 | C9 | 175.3° | 61.5° |
| O3 | C4 | C22 | H13 | 166.8° | 104.4° |
| O3 | C4 | C22 | H14 | 48.4° | 15.0° |
| O3 | C4 | C6 | H52 | 54.7° | 58.5° |
| C43 | C40 | C38 | H30 | 116.4° | 120.2° |
| C43 | C40 | C38 | O39 | 95.6° | 32.3° |
| C43 | C40 | C38 | C34 | 81.5° | 147.8° |
| C43 | C40 | C42 | H31 | 180.0° | 179.5° |
| C43 | C40 | C42 | H32 | 60.0° | 60.6° |
| C43 | C40 | C42 | H33 | 60.0° | 59.4° |
| C40 | C43 | H34 | H35 | 116.5° | 119.6° |
| C40 | C43 | C44 | H36 | 62.1° | 5.1° |
| C40 | C38 | O39 | C34 | 177.2° | 179.9° |
| C40 | C38 | C34 | C31 | 85.3° | 166.5° |
| C40 | C38 | C34 | O36 | 155.1° | 72.3° |
| C40 | C38 | C34 | H25 | 36.2° | 47.1° |
| C38 | C40 | C42 | H31 | 57.1° | 60.1° |
| C38 | C40 | C42 | H32 | 177.1° | 180.0° |
| C38 | C40 | C42 | H33 | 62.9° | 60.0° |
| C38 | C40 | C43 | H34 | 81.7° | 39.0° |
| C38 | C40 | C43 | H35 | 36.1° | 80.2° |
| C22 | C4 | C6 | H29 | 123.0° | 120.0° |
| C22 | C4 | C6 | C8 | 52.0° | 60.0° |
| C22 | C4 | C6 | C9 | 68.3° | 180.0° |
| C4 | C22 | H13 | H14 | 117.7° | 118.2° |
| C4 | C22 | C23 | H15 | 20.5° | 45.6° |
| C22 | C4 | C6 | H52 | 171.1° | 60.0° |
| O1 | C2 | C71 | H61 | 45.5° | 131.8° |
| C28 | C29 | C30 | C31 | 179.1° | 180.0° |
| C28 | C29 | C31 | C34 | 106.7° | 101.6° |
| C28 | C29 | C31 | O33 | 19.6° | 138.6° |
| C29 | C28 | C25 | H16 | 13.5° | 23.7° |
| C28 | C29 | C30 | H21 | 180.0° | 0.0° |
| C28 | C29 | C30 | H22 | 60.0° | 120.0° |
| C28 | C29 | C30 | H23 | 60.0° | 120.0° |
| C28 | C29 | C31 | H24 | 137.4° | 18.5° |
| C4 | C6 | C8 | C9 | 125.5° | 120.0° |
| C4 | C6 | C8 | H52 | 119.0° | 120.0° |
| C4 | C6 | C9 | H52 | 120.5° | 120.0° |
| C4 | C6 | C9 | C10 | 57.4° | 176.8° |
| C6 | C4 | C22 | H13 | 47.3° | 15.2° |
| C6 | C4 | C22 | H14 | 71.2° | 134.6° |
| C4 | C6 | C8 | H73 | 180.0° | 56.6° |
| C4 | C6 | C8 | H74 | 60.0° | 63.4° |
| C4 | C6 | C8 | H75 | 60.0° | 176.5° |
| C4 | C6 | C9 | H76 | 63.7° | 63.1° |
| C4 | C6 | C9 | H77 | 178.6° | 56.9° |
| C30 | C29 | C31 | C34 | 72.4° | 78.4° |
| C30 | C29 | C31 | O33 | 161.3° | 41.4° |
| C30 | C29 | C28 | H20 | 178.6° | 179.4° |
| C29 | C30 | H21 | H22 | 120.0° | 120.0° |
| C29 | C30 | H21 | H23 | 120.0° | 120.0° |
| C29 | C30 | H22 | H23 | 120.0° | 119.9° |
| C30 | C29 | C31 | H24 | 43.5° | 161.5° |
| C29 | C31 | C34 | C38 | 69.3° | 145.2° |
| C29 | C31 | C34 | O33 | 128.4° | 119.5° |
| C29 | C31 | C34 | H24 | 115.9° | 119.4° |
| C29 | C31 | C34 | O36 | 168.2° | 24.3° |
| C29 | C31 | O33 | H24 | 117.1° | 119.4° |
| C31 | C29 | C28 | H20 | 0.4° | 0.6° |
| C31 | C29 | C30 | H21 | 0.9° | 180.0° |
| C31 | C29 | C30 | H22 | 119.1° | 60.0° |
| C31 | C29 | C30 | H23 | 120.9° | 60.0° |
| C29 | C31 | C34 | H25 | 52.3° | 95.1° |
| C29 | C31 | O33 | H79 | 180.0° | 60.1° |
| O39 | C38 | C34 | C31 | 97.5° | 13.3° |
| O39 | C38 | C34 | O36 | 22.1° | 107.9° |
| O39 | C38 | C34 | H25 | 141.0° | 132.8° |
| O39 | C38 | C40 | H30 | 147.9° | 152.5° |
| C38 | C34 | C31 | O36 | 122.6° | 121.0° |
| C38 | C34 | C31 | H25 | 121.6° | 119.7° |
| C38 | C34 | O36 | H25 | 118.4° | 119.4° |
| C38 | C34 | C31 | O33 | 59.1° | 95.2° |
| C38 | C34 | O36 | C37 | 83.9° | 101.3° |
| C38 | C34 | C31 | H24 | 174.8° | 25.9° |
| C34 | C38 | C40 | H30 | 34.9° | 27.6° |
| C8 | C6 | C9 | H52 | 115.5° | 120.0° |
| C8 | C6 | C9 | C10 | 178.6° | 63.2° |
| C8 | C6 | C4 | H29 | 175.0° | 60.0° |
| C6 | C8 | H73 | H74 | 120.0° | 120.0° |
| C6 | C8 | H73 | H75 | 120.0° | 120.0° |
| C6 | C8 | H74 | H75 | 120.0° | 120.1° |
| C8 | C6 | C9 | H76 | 60.2° | 56.9° |
| C8 | C6 | C9 | H77 | 57.4° | 176.9° |
| C6 | C9 | C10 | H76 | 121.2° | 120.1° |
| C6 | C9 | C10 | H77 | 121.2° | 119.9° |
| C6 | C9 | C10 | C21 | 54.0° | 175.1° |
| C6 | C9 | C10 | C12 | 174.4° | 64.9° |
| C6 | C9 | C10 | H1 | 68.3° | 55.1° |
| C9 | C6 | C4 | H29 | 54.8° | 60.0° |
| C9 | C6 | C8 | H73 | 54.5° | 63.4° |
| C9 | C6 | C8 | H74 | 65.5° | 176.6° |
| C9 | C6 | C8 | H75 | 174.5° | 56.6° |
| C6 | C9 | H76 | H77 | 116.3° | 120.0° |
| C31 | C34 | O36 | H25 | 115.1° | 119.2° |
| C34 | C31 | O33 | H24 | 114.9° | 121.2° |
| C31 | C34 | O36 | C37 | 149.5° | 137.3° |
| C34 | C31 | O33 | H79 | 52.0° | 179.6° |
| O36 | C34 | C31 | O33 | 63.4° | 143.8° |
| O36 | C34 | C31 | H24 | 52.3° | 95.1° |
| C34 | O36 | C37 | H26 | 180.0° | 64.5° |
| C34 | O36 | C37 | H27 | 60.0° | 175.5° |
| C34 | O36 | C37 | H28 | 60.0° | 55.4° |
| O33 | C31 | C34 | H25 | 179.3° | 24.5° |
| C9 | C10 | C21 | C12 | 118.5° | 120.0° |
| C9 | C10 | C21 | H1 | 122.3° | 119.9° |
| C9 | C10 | C12 | H1 | 117.4° | 119.9° |
| C9 | C10 | C21 | C20 | 175.8° | 179.9° |
| C9 | C10 | C12 | C13 | 175.1° | 179.9° |
| C9 | C10 | C12 | H2 | 55.1° | 60.0° |
| C9 | C10 | C12 | H3 | 64.9° | 60.1° |
| C9 | C10 | C21 | H11 | 55.6° | 60.1° |
| C9 | C10 | C21 | H12 | 64.0° | 60.0° |
| C10 | C9 | C6 | H52 | 63.1° | 56.8° |
| C10 | C9 | H76 | H77 | 116.2° | 119.9° |
| C37 | O36 | C34 | H25 | 34.4° | 18.1° |
| O36 | C37 | H26 | H27 | 120.0° | 120.1° |
| O36 | C37 | H26 | H28 | 120.0° | 119.9° |
| O36 | C37 | H27 | H28 | 120.0° | 120.1° |
| C21 | C10 | C12 | H1 | 119.1° | 120.0° |
| C10 | C21 | C20 | H11 | 120.2° | 120.0° |
| C10 | C21 | C20 | H12 | 120.1° | 120.0° |
| C21 | C10 | C12 | C13 | 61.4° | 60.0° |
| C10 | C21 | C20 | C17 | 54.3° | 60.0° |
| C21 | C10 | C12 | H2 | 178.6° | 180.0° |
| C21 | C10 | C12 | H3 | 58.6° | 59.9° |
| C10 | C21 | C20 | H9 | 174.6° | 60.0° |
| C10 | C21 | C20 | H10 | 66.1° | 179.9° |
| C10 | C21 | H11 | H12 | 119.5° | 120.1° |
| C21 | C10 | C9 | H76 | 175.1° | 55.0° |
| C21 | C10 | C9 | H77 | 67.2° | 65.0° |
| C12 | C10 | C21 | C20 | 57.3° | 60.0° |
| C10 | C12 | C13 | H2 | 120.0° | 120.0° |
| C10 | C12 | C13 | H3 | 120.0° | 119.9° |
| C10 | C12 | C13 | C17 | 61.6° | 60.0° |
| C10 | C12 | C13 | O15 | 178.5° | 180.0° |
| C10 | C12 | H2 | H3 | 119.9° | 120.0° |
| C10 | C12 | C13 | H4 | 57.8° | 60.0° |
| C12 | C10 | C21 | H11 | 62.9° | 60.0° |
| C12 | C10 | C21 | H12 | 177.4° | 180.0° |
| C12 | C10 | C9 | H76 | 64.5° | 175.1° |
| C12 | C10 | C9 | H77 | 53.2° | 55.1° |
| C21 | C20 | C17 | H9 | 120.4° | 120.0° |
| C21 | C20 | C17 | H10 | 120.4° | 120.0° |
| C21 | C20 | C17 | C13 | 54.2° | 60.0° |
| C21 | C20 | C17 | O19 | 173.3° | 180.0° |
| C20 | C21 | C10 | H1 | 61.8° | 60.0° |
| C21 | C20 | C17 | H8 | 65.7° | 60.0° |
| C21 | C20 | H9 | H10 | 118.8° | 120.1° |
| C20 | C21 | H11 | H12 | 119.5° | 119.9° |
| C12 | C13 | C17 | C20 | 57.5° | 60.1° |
| C12 | C13 | C17 | O15 | 119.7° | 119.9° |
| C12 | C13 | C17 | H4 | 119.4° | 120.0° |
| C12 | C13 | O15 | H4 | 119.9° | 120.0° |
| C12 | C13 | C17 | O19 | 177.4° | 180.0° |
| C12 | C13 | O15 | C16 | 91.7° | 150.0° |
| C13 | C12 | C10 | H1 | 57.7° | 60.0° |
| C13 | C12 | H2 | H3 | 119.9° | 120.1° |
| C12 | C13 | C17 | H8 | 62.3° | 60.0° |
| C20 | C17 | C13 | O19 | 119.9° | 120.0° |
| C20 | C17 | C13 | H8 | 119.8° | 120.1° |
| C20 | C17 | C13 | O15 | 177.2° | 180.0° |
| C20 | C17 | O19 | H8 | 120.1° | 120.1° |
| C20 | C17 | C13 | H4 | 61.9° | 59.9° |
| C17 | C20 | H9 | H10 | 118.9° | 119.9° |
| C17 | C20 | C21 | H11 | 65.9° | 60.0° |
| C17 | C20 | C21 | H12 | 174.4° | 180.0° |
| C20 | C17 | O19 | H78 | 180.0° | 60.0° |
| C17 | C13 | O15 | H4 | 120.0° | 120.1° |
| C13 | C17 | O19 | H8 | 119.4° | 120.0° |
| C17 | C13 | O15 | C16 | 148.2° | 90.1° |
| C17 | C13 | C12 | H2 | 178.3° | 180.0° |
| C17 | C13 | C12 | H3 | 58.4° | 59.9° |
| C13 | C17 | C20 | H9 | 174.6° | 60.0° |
| C13 | C17 | C20 | H10 | 66.1° | 180.0° |
| C13 | C17 | O19 | H78 | 59.4° | 179.9° |
| O15 | C13 | C17 | O19 | 62.9° | 60.0° |
| O15 | C13 | C12 | H2 | 58.5° | 60.1° |
| O15 | C13 | C12 | H3 | 61.5° | 60.0° |
| C13 | O15 | C16 | H5 | 180.0° | 60.0° |
| C13 | O15 | C16 | H6 | 60.0° | 60.0° |
| C13 | O15 | C16 | H7 | 60.0° | 180.0° |
| O15 | C13 | C17 | H8 | 57.3° | 59.9° |
| O19 | C17 | C13 | H4 | 58.0° | 60.0° |
| O19 | C17 | C20 | H9 | 66.3° | 60.0° |
| O19 | C17 | C20 | H10 | 52.9° | 60.0° |
| C16 | O15 | C13 | H4 | 28.2° | 30.0° |
| O15 | C16 | H5 | H6 | 120.0° | 120.0° |
| O15 | C16 | H5 | H7 | 120.0° | 120.0° |
| O15 | C16 | H6 | H7 | 119.9° | 120.1° |
| H1 | C10 | C12 | H2 | 62.3° | 60.0° |
| H1 | C10 | C12 | H3 | 177.7° | 180.0° |
| H1 | C10 | C21 | H11 | 178.0° | 180.0° |
| H1 | C10 | C21 | H12 | 58.3° | 60.0° |
| H1 | C10 | C9 | H76 | 52.9° | 65.0° |
| H1 | C10 | C9 | H77 | 170.5° | 175.0° |
| H2 | C12 | C13 | H4 | 62.3° | 60.0° |
| H3 | C12 | C13 | H4 | 177.8° | 179.9° |
| H4 | C13 | C17 | H8 | 178.3° | 180.0° |
| H5 | C16 | H6 | H7 | 120.1° | 119.9° |
| H8 | C17 | C20 | H9 | 54.7° | 180.0° |
| H8 | C17 | C20 | H10 | 174.0° | 60.0° |
| H8 | C17 | O19 | H78 | 59.9° | 60.1° |
| H9 | C20 | C21 | H11 | 54.5° | 180.0° |
| H9 | C20 | C21 | H12 | 65.2° | 60.1° |
| H10 | C20 | C21 | H11 | 173.7° | 59.9° |
| H10 | C20 | C21 | H12 | 54.0° | 60.0° |
| H13 | C22 | C23 | H15 | 100.3° | 74.3° |
| H13 | C22 | C4 | H29 | 75.6° | 135.7° |
| H14 | C22 | C23 | H15 | 141.3° | 164.1° |
| H14 | C22 | C4 | H29 | 165.9° | 104.9° |
| H15 | C23 | C25 | H16 | 168.6° | 44.8° |
| H15 | C23 | O80 | H81 | 60.8° | 59.5° |
| H16 | C25 | C27 | H17 | 61.0° | 59.8° |
| H16 | C25 | C27 | H18 | 179.0° | 60.2° |
| H16 | C25 | C27 | H19 | 59.0° | 179.7° |
| H16 | C25 | C28 | H20 | 166.5° | 156.5° |
| H17 | C27 | H18 | H19 | 120.0° | 120.0° |
| H21 | C30 | H22 | H23 | 120.0° | 120.0° |
| H24 | C31 | C34 | H25 | 63.6° | 145.6° |
| H24 | C31 | O33 | H79 | 62.9° | 59.3° |
| H26 | C37 | H27 | H28 | 120.0° | 119.9° |
| H29 | C4 | C6 | H52 | 65.9° | 180.0° |
| H30 | C40 | C42 | H31 | 62.4° | 59.6° |
| H30 | C40 | C42 | H32 | 57.6° | 60.3° |
| H30 | C40 | C42 | H33 | 177.6° | 179.7° |
| H30 | C40 | C43 | H34 | 161.8° | 80.8° |
| H30 | C40 | C43 | H35 | 80.4° | 160.0° |
| H31 | C42 | H32 | H33 | 119.9° | 120.1° |
| H34 | C43 | C44 | H36 | 59.0° | 114.4° |
| H35 | C43 | C44 | H36 | 176.8° | 126.5° |
| H36 | C44 | C46 | H37 | 61.9° | 61.3° |
| H36 | C44 | C46 | H38 | 58.1° | 58.7° |
| H36 | C44 | C46 | H39 | 178.1° | 178.7° |
| H36 | C44 | C47 | H40 | 154.7° | 175.1° |
| H37 | C46 | H38 | H39 | 120.0° | 119.9° |
| H40 | C47 | C48 | H41 | 178.1° | 179.6° |
| H41 | C48 | C49 | H42 | 172.6° | 168.4° |
| H42 | C49 | C50 | H43 | 176.7° | 179.6° |
| H43 | C50 | C51 | H44 | 173.6° | 121.1° |
| H45 | C53 | H46 | H47 | 120.0° | 120.0° |
| H48 | C54 | C56 | H49 | 172.3° | 134.2° |
| H48 | C54 | C56 | H50 | 69.2° | 107.5° |
| H49 | C56 | C57 | H51 | 76.7° | 80.0° |
| H50 | C56 | C57 | H51 | 164.8° | 37.7° |
| H51 | C57 | C77 | H68 | 162.2° | 143.4° |
| H51 | C57 | C77 | H69 | 42.4° | 23.9° |
| H52 | C6 | C8 | H73 | 61.0° | 176.6° |
| H52 | C6 | C8 | H74 | 179.0° | 56.6° |
| H52 | C6 | C8 | H75 | 59.0° | 63.5° |
| H52 | C6 | C9 | H76 | 175.7° | 176.9° |
| H52 | C6 | C9 | H77 | 58.1° | 63.1° |
| H53 | C67 | C68 | H55 | 173.4° | 175.7° |
| H53 | C67 | C68 | H56 | 53.8° | 57.0° |
| H54 | C67 | C68 | H55 | 54.0° | 54.9° |
| H54 | C67 | C68 | H56 | 65.6° | 63.8° |
| H55 | C68 | C69 | H57 | 59.4° | 6.7° |
| H55 | C68 | C69 | H58 | 179.5° | 125.5° |
| H56 | C68 | C69 | H57 | 60.2° | 112.1° |
| H56 | C68 | C69 | H58 | 59.8° | 6.6° |
| H57 | C69 | C70 | H59 | 58.0° | 49.4° |
| H57 | C69 | C70 | H60 | 60.9° | 169.2° |
| H58 | C69 | C70 | H59 | 178.1° | 69.6° |
| H58 | C69 | C70 | H60 | 59.2° | 50.3° |
| H59 | C70 | C71 | H61 | 46.6° | 57.8° |
| H60 | C70 | C71 | H61 | 72.2° | 177.2° |
| H62 | C73 | C75 | H63 | 60.3° | 59.3° |
| H62 | C73 | C75 | H64 | 179.7° | 60.8° |
| H62 | C73 | C75 | H65 | 59.7° | 179.2° |
| H62 | C73 | C76 | H66 | 57.6° | 59.1° |
| H62 | C73 | C76 | H67 | 176.7° | 59.8° |
| H63 | C75 | H64 | H65 | 120.0° | 120.0° |
| H66 | C76 | C77 | H68 | 51.0° | 78.2° |
| H66 | C76 | C77 | H69 | 68.8° | 42.0° |
| H67 | C76 | C77 | H68 | 170.1° | 40.8° |
| H67 | C76 | C77 | H69 | 50.3° | 161.0° |
| H70 | C79 | H71 | H72 | 120.0° | 120.0° |
| H73 | C8 | H74 | H75 | 120.0° | 120.0° |
