5F9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O21 | P18 | doub | 1.48Å | 1.52Å | |
| P18 | O19 | sing | 1.61Å | 1.52Å | |
| P18 | O20 | sing | 1.61Å | 1.52Å | |
| P18 | O17 | sing | 1.61Å | 1.63Å | |
| O17 | C14 | sing | 1.43Å | 1.44Å | |
| C14 | C13 | sing | 1.54Å | 1.52Å | |
| C14 | C15 | sing | 1.55Å | 1.52Å | |
| O16 | C15 | sing | 1.43Å | 1.43Å | |
| C13 | O12 | sing | 1.44Å | 1.43Å | |
| C13 | C22 | sing | 1.53Å | 1.52Å | |
| C15 | C11 | sing | 1.55Å | 1.52Å | |
| C11 | O12 | sing | 1.44Å | 1.43Å | |
| C11 | N10 | sing | 1.47Å | 1.48Å | |
| C22 | O23 | sing | 1.43Å | 1.42Å | |
| N84 | C83 | doub | 1.32Å | 1.34Å | Aromatic |
| N84 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| O28 | P26 | doub | 1.48Å | 1.51Å | |
| O23 | P26 | sing | 1.61Å | 1.59Å | |
| C83 | N82 | sing | 1.32Å | 1.34Å | Aromatic |
| N10 | C6 | sing | 1.37Å | 1.33Å | Aromatic |
| N10 | C9 | sing | 1.36Å | 1.34Å | Aromatic |
| C6 | C7 | doub | 1.41Å | 1.38Å | Aromatic |
| P26 | O27 | sing | 1.61Å | 1.62Å | |
| P26 | O29 | sing | 1.61Å | 1.51Å | |
| O27 | P32 | sing | 1.61Å | 1.61Å | |
| N82 | C80 | doub | 1.33Å | 1.34Å | Aromatic |
| C9 | N8 | doub | 1.30Å | 1.34Å | Aromatic |
| C7 | C80 | sing | 1.41Å | 1.37Å | Aromatic |
| C7 | N8 | sing | 1.35Å | 1.34Å | Aromatic |
| C80 | N81 | sing | 1.38Å | 1.35Å | |
| O34 | P32 | doub | 1.48Å | 1.51Å | |
| O35 | P32 | sing | 1.61Å | 1.50Å | |
| P32 | O33 | sing | 1.61Å | 1.62Å | |
| O33 | C36 | sing | 1.43Å | 1.44Å | |
| O44 | C42 | doub | 1.21Å | 1.21Å | |
| O41 | C40 | sing | 1.43Å | 1.43Å | |
| C40 | C42 | sing | 1.51Å | 1.50Å | |
| C40 | C37 | sing | 1.53Å | 1.52Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C42 | N43 | sing | 1.35Å | 1.33Å | |
| C37 | C39 | sing | 1.53Å | 1.52Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| N43 | C45 | sing | 1.46Å | 1.46Å | |
| C46 | C45 | sing | 1.53Å | 1.54Å | |
| C46 | C47 | sing | 1.51Å | 1.51Å | |
| O49 | C47 | doub | 1.21Å | 1.23Å | |
| C47 | N48 | sing | 1.35Å | 1.33Å | |
| C51 | C50 | sing | 1.53Å | 1.52Å | |
| C51 | S52 | sing | 1.81Å | 1.76Å | |
| N48 | C50 | sing | 1.47Å | 1.45Å | |
| S52 | C53 | sing | 1.71Å | 1.70Å | |
| O54 | C53 | doub | 1.21Å | 1.22Å | |
| C53 | C55 | sing | 1.51Å | 1.52Å | |
| C56 | C57 | sing | 1.53Å | 1.53Å | |
| C56 | C55 | sing | 1.53Å | 1.53Å | |
| C57 | C58 | sing | 1.53Å | 1.53Å | |
| C58 | C59 | sing | 1.53Å | 1.53Å | |
| C60 | C59 | sing | 1.53Å | 1.53Å | |
| C60 | C61 | sing | 1.53Å | 1.53Å | |
| C61 | C62 | sing | 1.53Å | 1.53Å | |
| C63 | C64 | sing | 1.53Å | 1.53Å | |
| C63 | C62 | sing | 1.53Å | 1.53Å | |
| C64 | C65 | sing | 1.53Å | 1.53Å | |
| C65 | C66 | sing | 1.53Å | 1.53Å | |
| C66 | C67 | sing | 1.53Å | 1.53Å | |
| C68 | C67 | sing | 1.53Å | 1.52Å | |
| C68 | C69 | sing | 1.53Å | 1.52Å | |
| C69 | C70 | sing | 1.53Å | 1.52Å | |
| C72 | C73 | sing | 1.53Å | 1.51Å | |
| C72 | C71 | sing | 1.53Å | 1.52Å | |
| C70 | C71 | sing | 1.53Å | 1.53Å | |
| O19 | H1 | sing | 0.97Å | 0.95Å | |
| O20 | H2 | sing | 0.97Å | 0.95Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| O16 | H5 | sing | 0.97Å | 0.95Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| N81 | H8 | sing | 0.97Å | 1.00Å | |
| N81 | H9 | sing | 0.97Å | 1.00Å | |
| C83 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| O29 | H14 | sing | 0.97Å | 0.95Å | |
| O35 | H15 | sing | 0.97Å | 0.95Å | |
| C36 | H16 | sing | 1.09Å | 1.10Å | |
| C36 | H17 | sing | 1.09Å | 1.10Å | |
| C38 | H18 | sing | 1.09Å | 1.10Å | |
| C38 | H19 | sing | 1.09Å | 1.10Å | |
| C38 | H20 | sing | 1.09Å | 1.10Å | |
| C39 | H21 | sing | 1.09Å | 1.10Å | |
| C39 | H22 | sing | 1.09Å | 1.10Å | |
| C39 | H23 | sing | 1.09Å | 1.10Å | |
| C40 | H24 | sing | 1.09Å | 1.10Å | |
| O41 | H25 | sing | 0.97Å | 0.95Å | |
| N43 | H26 | sing | 0.97Å | 1.00Å | |
| C45 | H27 | sing | 1.09Å | 1.10Å | |
| C45 | H28 | sing | 1.09Å | 1.10Å | |
| C46 | H29 | sing | 1.09Å | 1.10Å | |
| C46 | H30 | sing | 1.09Å | 1.10Å | |
| N48 | H31 | sing | 0.97Å | 1.00Å | |
| C50 | H32 | sing | 1.09Å | 1.10Å | |
| C50 | H33 | sing | 1.09Å | 1.10Å | |
| C51 | H34 | sing | 1.09Å | 1.10Å | |
| C51 | H35 | sing | 1.09Å | 1.10Å | |
| C55 | H36 | sing | 1.09Å | 1.10Å | |
| C55 | H37 | sing | 1.09Å | 1.10Å | |
| C56 | H38 | sing | 1.09Å | 1.10Å | |
| C56 | H39 | sing | 1.09Å | 1.10Å | |
| C57 | H40 | sing | 1.09Å | 1.10Å | |
| C57 | H41 | sing | 1.09Å | 1.10Å | |
| C58 | H42 | sing | 1.09Å | 1.10Å | |
| C58 | H43 | sing | 1.09Å | 1.10Å | |
| C59 | H44 | sing | 1.09Å | 1.10Å | |
| C59 | H45 | sing | 1.09Å | 1.10Å | |
| C60 | H46 | sing | 1.09Å | 1.10Å | |
| C60 | H47 | sing | 1.09Å | 1.10Å | |
| C61 | H48 | sing | 1.09Å | 1.10Å | |
| C61 | H49 | sing | 1.09Å | 1.10Å | |
| C62 | H50 | sing | 1.09Å | 1.10Å | |
| C62 | H51 | sing | 1.09Å | 1.10Å | |
| C63 | H52 | sing | 1.09Å | 1.10Å | |
| C63 | H53 | sing | 1.09Å | 1.10Å | |
| C64 | H54 | sing | 1.09Å | 1.10Å | |
| C64 | H55 | sing | 1.09Å | 1.10Å | |
| C65 | H56 | sing | 1.09Å | 1.10Å | |
| C65 | H57 | sing | 1.09Å | 1.10Å | |
| C66 | H58 | sing | 1.09Å | 1.10Å | |
| C66 | H59 | sing | 1.09Å | 1.10Å | |
| C67 | H60 | sing | 1.09Å | 1.10Å | |
| C67 | H61 | sing | 1.09Å | 1.10Å | |
| C68 | H62 | sing | 1.09Å | 1.10Å | |
| C68 | H63 | sing | 1.09Å | 1.10Å | |
| C69 | H64 | sing | 1.09Å | 1.10Å | |
| C69 | H65 | sing | 1.09Å | 1.10Å | |
| C70 | H66 | sing | 1.09Å | 1.10Å | |
| C70 | H67 | sing | 1.09Å | 1.10Å | |
| C71 | H68 | sing | 1.09Å | 1.10Å | |
| C71 | H69 | sing | 1.09Å | 1.10Å | |
| C72 | H70 | sing | 1.09Å | 1.10Å | |
| C72 | H71 | sing | 1.09Å | 1.10Å | |
| C73 | H72 | sing | 1.09Å | 1.10Å | |
| C73 | H73 | sing | 1.09Å | 1.10Å | |
| C73 | H74 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O21 | P18 | O19 | 111.5° | 109.5° |
| O21 | P18 | O20 | 117.4° | 109.5° |
| O21 | P18 | O17 | 103.3° | 109.5° |
| O19 | P18 | O20 | 113.4° | 109.5° |
| O19 | P18 | O17 | 108.0° | 109.4° |
| P18 | O19 | H1 | 109.5° | 113.9° |
| O20 | P18 | O17 | 101.8° | 109.5° |
| P18 | O20 | H2 | 109.5° | 114.0° |
| P18 | O17 | C14 | 123.3° | 123.0° |
| O17 | C14 | C13 | 107.5° | 110.5° |
| O17 | C14 | C15 | 111.0° | 110.5° |
| O17 | C14 | H3 | 112.3° | 110.4° |
| C13 | C14 | C15 | 103.6° | 104.2° |
| C14 | C13 | O12 | 106.4° | 107.3° |
| C14 | C13 | C22 | 111.5° | 109.9° |
| C13 | C14 | H3 | 111.0° | 110.5° |
| C14 | C13 | H11 | 109.3° | 109.9° |
| C14 | C15 | O16 | 113.0° | 110.9° |
| C14 | C15 | C11 | 102.3° | 102.1° |
| C15 | C14 | H3 | 111.1° | 110.6° |
| C14 | C15 | H4 | 109.8° | 110.9° |
| O16 | C15 | C11 | 110.5° | 110.9° |
| O16 | C15 | H4 | 111.1° | 110.8° |
| C15 | O16 | H5 | 109.5° | 114.0° |
| O12 | C13 | C22 | 109.9° | 109.9° |
| C13 | O12 | C11 | 110.4° | 107.0° |
| O12 | C13 | H11 | 110.5° | 109.9° |
| C13 | C22 | O23 | 106.8° | 109.5° |
| C22 | C13 | H11 | 109.3° | 110.0° |
| C13 | C22 | H12 | 110.1° | 109.5° |
| C13 | C22 | H13 | 110.1° | 109.5° |
| C15 | C11 | O12 | 104.0° | 103.5° |
| C15 | C11 | N10 | 111.1° | 110.6° |
| C11 | C15 | H4 | 109.8° | 110.9° |
| C15 | C11 | H6 | 109.9° | 110.6° |
| O12 | C11 | N10 | 110.1° | 110.6° |
| O12 | C11 | H6 | 111.2° | 110.6° |
| C11 | N10 | C6 | 126.9° | 126.3° |
| C11 | N10 | C9 | 124.8° | 126.2° |
| N10 | C11 | H6 | 110.4° | 110.7° |
| C22 | O23 | P26 | 122.4° | 123.0° |
| O23 | C22 | H12 | 110.1° | 109.5° |
| O23 | C22 | H13 | 110.1° | 109.5° |
| C83 | N84 | C6 | 120.2° | 120.7° |
| N84 | C83 | N82 | 120.9° | 122.5° |
| N84 | C83 | H10 | 119.5° | 118.7° |
| N84 | C6 | N10 | 133.6° | 135.0° |
| N84 | C6 | C7 | 119.2° | 119.0° |
| O28 | P26 | O23 | 109.8° | 109.5° |
| O28 | P26 | O27 | 108.0° | 109.5° |
| O28 | P26 | O29 | 120.9° | 109.5° |
| O23 | P26 | O27 | 96.9° | 109.5° |
| O23 | P26 | O29 | 105.5° | 109.5° |
| C83 | N82 | C80 | 120.9° | 121.2° |
| N82 | C83 | H10 | 119.6° | 118.8° |
| C6 | N10 | C9 | 108.3° | 107.5° |
| N10 | C6 | C7 | 107.2° | 106.0° |
| N10 | C9 | N8 | 108.9° | 109.9° |
| N10 | C9 | H7 | 125.6° | 125.1° |
| C6 | C7 | C80 | 119.6° | 118.2° |
| C6 | C7 | N8 | 107.9° | 107.2° |
| O27 | P26 | O29 | 112.9° | 109.5° |
| P26 | O27 | P32 | 128.2° | 134.0° |
| P26 | O29 | H14 | 109.5° | 114.0° |
| O27 | P32 | O34 | 104.1° | 109.5° |
| O27 | P32 | O35 | 110.0° | 109.5° |
| O27 | P32 | O33 | 103.5° | 109.4° |
| N82 | C80 | C7 | 119.1° | 118.5° |
| N82 | C80 | N81 | 121.1° | 120.8° |
| C9 | N8 | C7 | 107.7° | 109.4° |
| N8 | C9 | H7 | 125.5° | 125.0° |
| C80 | C7 | N8 | 132.5° | 134.7° |
| C7 | C80 | N81 | 119.8° | 120.8° |
| C80 | N81 | H8 | 109.5° | 120.0° |
| C80 | N81 | H9 | 109.5° | 120.0° |
| O34 | P32 | O35 | 119.1° | 109.5° |
| O34 | P32 | O33 | 112.1° | 109.5° |
| O35 | P32 | O33 | 107.0° | 109.5° |
| P32 | O35 | H15 | 109.5° | 114.1° |
| P32 | O33 | C36 | 125.3° | 123.0° |
| O33 | C36 | C37 | 110.0° | 109.5° |
| O33 | C36 | H16 | 109.3° | 109.5° |
| O33 | C36 | H17 | 109.3° | 109.5° |
| O44 | C42 | C40 | 117.3° | 120.0° |
| O44 | C42 | N43 | 121.2° | 120.0° |
| O41 | C40 | C42 | 111.4° | 109.5° |
| O41 | C40 | C37 | 107.8° | 109.5° |
| O41 | C40 | H24 | 108.7° | 109.5° |
| C40 | O41 | H25 | 109.5° | 114.0° |
| C42 | C40 | C37 | 113.5° | 109.5° |
| C40 | C42 | N43 | 121.5° | 120.0° |
| C42 | C40 | H24 | 107.7° | 109.5° |
| C40 | C37 | C36 | 104.5° | 109.5° |
| C40 | C37 | C39 | 108.6° | 109.5° |
| C40 | C37 | C38 | 111.7° | 109.5° |
| C37 | C40 | H24 | 107.6° | 109.5° |
| C36 | C37 | C39 | 112.7° | 109.4° |
| C36 | C37 | C38 | 109.6° | 109.4° |
| C37 | C36 | H16 | 109.3° | 109.4° |
| C37 | C36 | H17 | 109.3° | 109.5° |
| C42 | N43 | C45 | 120.4° | 120.0° |
| C42 | N43 | H26 | 119.8° | 120.0° |
| C39 | C37 | C38 | 109.6° | 109.5° |
| C37 | C39 | H21 | 109.5° | 109.5° |
| C37 | C39 | H22 | 109.5° | 109.5° |
| C37 | C39 | H23 | 109.5° | 109.5° |
| C37 | C38 | H18 | 109.5° | 109.5° |
| C37 | C38 | H19 | 109.5° | 109.5° |
| C37 | C38 | H20 | 109.5° | 109.5° |
| N43 | C45 | C46 | 117.4° | 109.5° |
| C45 | N43 | H26 | 119.8° | 120.0° |
| N43 | C45 | H27 | 107.4° | 109.5° |
| N43 | C45 | H28 | 107.4° | 109.5° |
| C45 | C46 | C47 | 112.1° | 109.5° |
| C46 | C45 | H27 | 107.5° | 109.5° |
| C46 | C45 | H28 | 107.5° | 109.5° |
| C45 | C46 | H29 | 108.8° | 109.5° |
| C45 | C46 | H30 | 108.8° | 109.5° |
| C46 | C47 | O49 | 122.0° | 120.0° |
| C46 | C47 | N48 | 115.4° | 120.0° |
| C47 | C46 | H29 | 108.8° | 109.5° |
| C47 | C46 | H30 | 108.8° | 109.5° |
| O49 | C47 | N48 | 122.6° | 120.1° |
| C47 | N48 | C50 | 120.3° | 119.9° |
| C47 | N48 | H31 | 119.8° | 120.0° |
| C50 | C51 | S52 | 106.9° | 109.5° |
| C51 | C50 | N48 | 112.4° | 109.4° |
| C51 | C50 | H32 | 108.8° | 109.5° |
| C51 | C50 | H33 | 108.8° | 109.5° |
| C50 | C51 | H34 | 110.1° | 109.5° |
| C50 | C51 | H35 | 110.1° | 109.5° |
| C51 | S52 | C53 | 112.3° | 100.0° |
| S52 | C51 | H34 | 110.1° | 109.5° |
| S52 | C51 | H35 | 110.1° | 109.5° |
| C50 | N48 | H31 | 119.8° | 120.0° |
| N48 | C50 | H32 | 108.7° | 109.5° |
| N48 | C50 | H33 | 108.8° | 109.5° |
| S52 | C53 | O54 | 121.0° | 120.0° |
| S52 | C53 | C55 | 121.1° | 120.0° |
| O54 | C53 | C55 | 117.9° | 120.0° |
| C53 | C55 | C56 | 111.8° | 109.5° |
| C53 | C55 | H36 | 108.9° | 109.5° |
| C53 | C55 | H37 | 108.9° | 109.5° |
| C57 | C56 | C55 | 114.7° | 109.5° |
| C56 | C57 | C58 | 111.0° | 109.5° |
| C57 | C56 | H38 | 108.2° | 109.5° |
| C57 | C56 | H39 | 108.2° | 109.4° |
| C56 | C57 | H40 | 109.1° | 109.5° |
| C56 | C57 | H41 | 109.1° | 109.5° |
| C56 | C55 | H36 | 108.9° | 109.5° |
| C56 | C55 | H37 | 108.9° | 109.5° |
| C55 | C56 | H38 | 108.2° | 109.5° |
| C55 | C56 | H39 | 108.2° | 109.5° |
| C57 | C58 | C59 | 111.3° | 109.4° |
| C58 | C57 | H40 | 109.1° | 109.5° |
| C58 | C57 | H41 | 109.1° | 109.5° |
| C57 | C58 | H42 | 109.0° | 109.5° |
| C57 | C58 | H43 | 109.0° | 109.4° |
| C58 | C59 | C60 | 110.6° | 109.4° |
| C59 | C58 | H42 | 109.0° | 109.5° |
| C59 | C58 | H43 | 109.0° | 109.5° |
| C58 | C59 | H44 | 109.2° | 109.5° |
| C58 | C59 | H45 | 109.2° | 109.5° |
| C59 | C60 | C61 | 111.2° | 109.5° |
| C60 | C59 | H44 | 109.2° | 109.5° |
| C60 | C59 | H45 | 109.2° | 109.4° |
| C59 | C60 | H46 | 109.0° | 109.5° |
| C59 | C60 | H47 | 109.0° | 109.5° |
| C60 | C61 | C62 | 113.4° | 109.5° |
| C61 | C60 | H46 | 109.0° | 109.4° |
| C61 | C60 | H47 | 109.0° | 109.5° |
| C60 | C61 | H48 | 108.5° | 109.5° |
| C60 | C61 | H49 | 108.5° | 109.5° |
| C61 | C62 | C63 | 112.0° | 109.5° |
| C62 | C61 | H48 | 108.4° | 109.5° |
| C62 | C61 | H49 | 108.5° | 109.5° |
| C61 | C62 | H50 | 108.8° | 109.5° |
| C61 | C62 | H51 | 108.8° | 109.5° |
| C64 | C63 | C62 | 111.2° | 109.5° |
| C63 | C64 | C65 | 112.6° | 109.4° |
| C64 | C63 | H52 | 109.0° | 109.5° |
| C64 | C63 | H53 | 109.0° | 109.5° |
| C63 | C64 | H54 | 108.7° | 109.4° |
| C63 | C64 | H55 | 108.7° | 109.4° |
| C63 | C62 | H50 | 108.8° | 109.5° |
| C63 | C62 | H51 | 108.8° | 109.5° |
| C62 | C63 | H52 | 109.0° | 109.4° |
| C62 | C63 | H53 | 109.1° | 109.5° |
| C64 | C65 | C66 | 111.4° | 109.4° |
| C65 | C64 | H54 | 108.7° | 109.5° |
| C65 | C64 | H55 | 108.7° | 109.5° |
| C64 | C65 | H56 | 109.0° | 109.5° |
| C64 | C65 | H57 | 109.0° | 109.5° |
| C65 | C66 | C67 | 109.8° | 109.5° |
| C66 | C65 | H56 | 109.0° | 109.5° |
| C66 | C65 | H57 | 109.0° | 109.4° |
| C65 | C66 | H58 | 109.4° | 109.5° |
| C65 | C66 | H59 | 109.4° | 109.4° |
| C66 | C67 | C68 | 111.6° | 109.5° |
| C67 | C66 | H58 | 109.4° | 109.5° |
| C67 | C66 | H59 | 109.4° | 109.5° |
| C66 | C67 | H60 | 108.9° | 109.5° |
| C66 | C67 | H61 | 108.9° | 109.4° |
| C67 | C68 | C69 | 112.6° | 109.5° |
| C68 | C67 | H60 | 109.0° | 109.5° |
| C68 | C67 | H61 | 108.9° | 109.5° |
| C67 | C68 | H62 | 108.7° | 109.5° |
| C67 | C68 | H63 | 108.7° | 109.5° |
| C68 | C69 | C70 | 112.5° | 109.5° |
| C69 | C68 | H62 | 108.7° | 109.4° |
| C69 | C68 | H63 | 108.7° | 109.5° |
| C68 | C69 | H64 | 108.7° | 109.4° |
| C68 | C69 | H65 | 108.7° | 109.5° |
| C69 | C70 | C71 | 111.0° | 109.5° |
| C70 | C69 | H64 | 108.7° | 109.5° |
| C70 | C69 | H65 | 108.7° | 109.5° |
| C69 | C70 | H66 | 109.1° | 109.4° |
| C69 | C70 | H67 | 109.0° | 109.5° |
| C73 | C72 | C71 | 111.9° | 109.4° |
| C73 | C72 | H70 | 108.8° | 109.5° |
| C73 | C72 | H71 | 108.9° | 109.5° |
| C72 | C73 | H72 | 109.5° | 109.4° |
| C72 | C73 | H73 | 109.5° | 109.5° |
| C72 | C73 | H74 | 109.5° | 109.5° |
| C72 | C71 | C70 | 111.0° | 109.5° |
| C72 | C71 | H68 | 109.1° | 109.5° |
| C72 | C71 | H69 | 109.1° | 109.5° |
| C71 | C72 | H70 | 108.8° | 109.5° |
| C71 | C72 | H71 | 108.8° | 109.4° |
| C71 | C70 | H66 | 109.1° | 109.5° |
| C71 | C70 | H67 | 109.1° | 109.4° |
| C70 | C71 | H68 | 109.1° | 109.5° |
| C70 | C71 | H69 | 109.1° | 109.4° |
| H8 | N81 | H9 | 109.4° | 120.0° |
| H12 | C22 | H13 | 109.5° | 109.4° |
| H16 | C36 | H17 | 109.5° | 109.4° |
| H18 | C38 | H19 | 109.5° | 109.4° |
| H18 | C38 | H20 | 109.5° | 109.5° |
| H19 | C38 | H20 | 109.5° | 109.5° |
| H21 | C39 | H22 | 109.5° | 109.5° |
| H21 | C39 | H23 | 109.4° | 109.5° |
| H22 | C39 | H23 | 109.5° | 109.5° |
| H27 | C45 | H28 | 109.5° | 109.4° |
| H29 | C46 | H30 | 109.5° | 109.4° |
| H32 | C50 | H33 | 109.4° | 109.5° |
| H34 | C51 | H35 | 109.5° | 109.4° |
| H36 | C55 | H37 | 109.5° | 109.4° |
| H38 | C56 | H39 | 109.4° | 109.5° |
| H40 | C57 | H41 | 109.5° | 109.4° |
| H42 | C58 | H43 | 109.4° | 109.5° |
| H44 | C59 | H45 | 109.5° | 109.5° |
| H46 | C60 | H47 | 109.4° | 109.4° |
| H48 | C61 | H49 | 109.5° | 109.4° |
| H50 | C62 | H51 | 109.5° | 109.4° |
| H52 | C63 | H53 | 109.5° | 109.4° |
| H54 | C64 | H55 | 109.5° | 109.5° |
| H56 | C65 | H57 | 109.5° | 109.5° |
| H58 | C66 | H59 | 109.5° | 109.5° |
| H60 | C67 | H61 | 109.5° | 109.5° |
| H62 | C68 | H63 | 109.5° | 109.4° |
| H64 | C69 | H65 | 109.4° | 109.4° |
| H66 | C70 | H67 | 109.5° | 109.5° |
| H68 | C71 | H69 | 109.5° | 109.4° |
| H70 | C72 | H71 | 109.5° | 109.5° |
| H72 | C73 | H73 | 109.4° | 109.4° |
| H72 | C73 | H74 | 109.4° | 109.5° |
| H73 | C73 | H74 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | P18 | O19 | O20 | 135.2° | 120.0° |
| O21 | P18 | O19 | O17 | 112.8° | 120.0° |
| O21 | P18 | O20 | O17 | 111.9° | 120.0° |
| O21 | P18 | O17 | C14 | 174.1° | 55.0° |
| O21 | P18 | O19 | H1 | 0.0° | 60.0° |
| O21 | P18 | O20 | H2 | 0.0° | 179.9° |
| O19 | P18 | O20 | O17 | 115.8° | 120.0° |
| O19 | P18 | O17 | C14 | 55.9° | 175.0° |
| O19 | P18 | O20 | H2 | 132.3° | 60.0° |
| O20 | P18 | O17 | C14 | 63.7° | 65.0° |
| O20 | P18 | O19 | H1 | 135.2° | 60.0° |
| P18 | O17 | C14 | C13 | 101.1° | 120.0° |
| P18 | O17 | C14 | C15 | 146.2° | 125.2° |
| O17 | P18 | O19 | H1 | 112.8° | 180.0° |
| O17 | P18 | O20 | H2 | 111.9° | 59.9° |
| P18 | O17 | C14 | H3 | 21.3° | 2.6° |
| O17 | C14 | C13 | C15 | 117.5° | 118.7° |
| O17 | C14 | C13 | H3 | 123.2° | 122.5° |
| O17 | C14 | C15 | H3 | 125.6° | 122.6° |
| O17 | C14 | C15 | O16 | 36.1° | 20.4° |
| O17 | C14 | C13 | O12 | 100.1° | 120.7° |
| O17 | C14 | C13 | C22 | 140.2° | 119.9° |
| O17 | C14 | C15 | C11 | 82.7° | 97.8° |
| O17 | C14 | C15 | H4 | 160.8° | 144.0° |
| O17 | C14 | C13 | H11 | 19.3° | 1.2° |
| C13 | C14 | C15 | H3 | 119.2° | 118.7° |
| C13 | C14 | C15 | O16 | 151.2° | 139.1° |
| C14 | C13 | O12 | C22 | 120.8° | 119.4° |
| C14 | C13 | O12 | H11 | 118.5° | 119.4° |
| C14 | C13 | C22 | H11 | 120.9° | 121.1° |
| C13 | C14 | C15 | C11 | 32.4° | 20.9° |
| C14 | C13 | O12 | C11 | 5.7° | 26.5° |
| C14 | C13 | C22 | O23 | 43.4° | 175.0° |
| C13 | C14 | C15 | H4 | 84.1° | 97.3° |
| C14 | C13 | C22 | H12 | 163.0° | 55.0° |
| C14 | C13 | C22 | H13 | 76.2° | 65.0° |
| C14 | C15 | O16 | C11 | 113.9° | 112.7° |
| C14 | C15 | O16 | H4 | 124.0° | 123.6° |
| C15 | C14 | C13 | O12 | 17.5° | 2.0° |
| C15 | C14 | C13 | C22 | 102.3° | 121.5° |
| C14 | C15 | C11 | H4 | 116.6° | 118.2° |
| C14 | C15 | C11 | O12 | 36.2° | 37.0° |
| C14 | C15 | C11 | N10 | 154.7° | 155.6° |
| C14 | C15 | O16 | H5 | 180.0° | 180.0° |
| C14 | C15 | C11 | H6 | 82.9° | 81.5° |
| C15 | C14 | C13 | H11 | 136.8° | 117.4° |
| O16 | C15 | C11 | H4 | 122.8° | 123.6° |
| O16 | C15 | C11 | O12 | 156.8° | 155.3° |
| O16 | C15 | C11 | N10 | 84.8° | 86.2° |
| O16 | C15 | C14 | H3 | 89.5° | 102.2° |
| O16 | C15 | C11 | H6 | 37.7° | 36.7° |
| O12 | C13 | C22 | H11 | 121.4° | 121.1° |
| C13 | O12 | C11 | C15 | 26.6° | 40.1° |
| C13 | O12 | C11 | N10 | 145.6° | 158.6° |
| O12 | C13 | C22 | O23 | 74.3° | 67.2° |
| O12 | C13 | C14 | H3 | 136.7° | 116.8° |
| C13 | O12 | C11 | H6 | 91.6° | 78.4° |
| O12 | C13 | C22 | H12 | 45.3° | 172.8° |
| O12 | C13 | C22 | H13 | 166.1° | 52.8° |
| C22 | C13 | O12 | C11 | 126.5° | 146.0° |
| C13 | C22 | O23 | H12 | 119.6° | 120.0° |
| C13 | C22 | O23 | H13 | 119.6° | 120.0° |
| C13 | C22 | O23 | P26 | 158.2° | 180.0° |
| C22 | C13 | C14 | H3 | 17.0° | 2.6° |
| C13 | C22 | H12 | H13 | 121.2° | 120.0° |
| C15 | C11 | O12 | N10 | 119.1° | 118.5° |
| C15 | C11 | O12 | H6 | 118.2° | 118.5° |
| C15 | C11 | N10 | H6 | 122.2° | 122.9° |
| C15 | C11 | N10 | C6 | 108.7° | 85.0° |
| C15 | C11 | N10 | C9 | 71.2° | 94.7° |
| C11 | C15 | C14 | H3 | 151.7° | 139.6° |
| C11 | C15 | O16 | H5 | 66.1° | 67.3° |
| O12 | C11 | N10 | H6 | 123.2° | 123.0° |
| O12 | C11 | N10 | C6 | 136.7° | 160.9° |
| O12 | C11 | N10 | C9 | 43.4° | 19.4° |
| O12 | C11 | C15 | H4 | 80.4° | 81.2° |
| C11 | O12 | C13 | H11 | 112.8° | 92.9° |
| C11 | N10 | C6 | N84 | 0.6° | 0.8° |
| C11 | N10 | C6 | C9 | 179.9° | 179.7° |
| C11 | N10 | C6 | C7 | 179.8° | 179.9° |
| C11 | N10 | C9 | N8 | 179.9° | 180.0° |
| N10 | C11 | C15 | H4 | 38.1° | 37.4° |
| C11 | N10 | C9 | H7 | 0.1° | 0.0° |
| C22 | O23 | P26 | O28 | 54.9° | 55.0° |
| C22 | O23 | P26 | O27 | 57.1° | 175.1° |
| C22 | O23 | P26 | O29 | 173.3° | 65.0° |
| O23 | C22 | C13 | H11 | 164.3° | 53.9° |
| O23 | C22 | H12 | H13 | 121.2° | 120.0° |
| N84 | C83 | N82 | H10 | 180.0° | 180.0° |
| C83 | N84 | C6 | N10 | 179.6° | 179.6° |
| C83 | N84 | C6 | C7 | 0.5° | 0.5° |
| N84 | C83 | N82 | C80 | 0.2° | 0.0° |
| C6 | N84 | C83 | N82 | 0.3° | 0.3° |
| N84 | C6 | N10 | C7 | 179.2° | 179.1° |
| N84 | C6 | N10 | C9 | 179.3° | 179.5° |
| N84 | C6 | C7 | C80 | 0.1° | 0.5° |
| N84 | C6 | C7 | N8 | 179.5° | 179.6° |
| C6 | N84 | C83 | H10 | 179.7° | 179.7° |
| O28 | P26 | O23 | O27 | 112.0° | 120.0° |
| O28 | P26 | O23 | O29 | 131.8° | 120.0° |
| O28 | P26 | O27 | O29 | 136.5° | 120.0° |
| O28 | P26 | O27 | P32 | 84.8° | 45.0° |
| O28 | P26 | O29 | H14 | 0.0° | 180.0° |
| O23 | P26 | O27 | O29 | 110.1° | 120.0° |
| O23 | P26 | O27 | P32 | 161.8° | 165.0° |
| P26 | O23 | C22 | H12 | 82.2° | 60.0° |
| P26 | O23 | C22 | H13 | 38.6° | 60.0° |
| O23 | P26 | O29 | H14 | 125.1° | 60.0° |
| C83 | N82 | C80 | C7 | 0.5° | 0.0° |
| C83 | N82 | C80 | N81 | 180.0° | 180.0° |
| C6 | N10 | C9 | N8 | 0.0° | 0.3° |
| N10 | C6 | C7 | C80 | 179.5° | 179.8° |
| N10 | C6 | C7 | N8 | 0.1° | 0.3° |
| C6 | N10 | C11 | H6 | 13.5° | 37.9° |
| C6 | N10 | C9 | H7 | 180.0° | 179.7° |
| C9 | N10 | C6 | C7 | 0.0° | 0.4° |
| N10 | C9 | N8 | H7 | 180.0° | 180.0° |
| N10 | C9 | N8 | C7 | 0.1° | 0.1° |
| C9 | N10 | C11 | H6 | 166.6° | 142.4° |
| C6 | C7 | C80 | N82 | 0.3° | 0.2° |
| C6 | C7 | N8 | C9 | 0.1° | 0.2° |
| C6 | C7 | C80 | N8 | 179.5° | 179.8° |
| C6 | C7 | C80 | N81 | 179.8° | 179.7° |
| P26 | O27 | P32 | O34 | 161.1° | 40.0° |
| P26 | O27 | P32 | O35 | 32.4° | 80.1° |
| P26 | O27 | P32 | O33 | 81.6° | 160.0° |
| O27 | P26 | O29 | H14 | 130.2° | 60.0° |
| O29 | P26 | O27 | P32 | 51.7° | 75.0° |
| O27 | P32 | O34 | O35 | 122.9° | 120.0° |
| O27 | P32 | O34 | O33 | 111.2° | 120.0° |
| O27 | P32 | O35 | O33 | 111.8° | 119.9° |
| O27 | P32 | O33 | C36 | 79.4° | 175.1° |
| O27 | P32 | O35 | H15 | 119.9° | 59.9° |
| N82 | C80 | C7 | N81 | 179.5° | 180.0° |
| N82 | C80 | C7 | N8 | 179.8° | 179.9° |
| N82 | C80 | N81 | H8 | 0.0° | 180.0° |
| N82 | C80 | N81 | H9 | 120.0° | 0.1° |
| C80 | N82 | C83 | H10 | 179.8° | 180.0° |
| C9 | N8 | C7 | C80 | 179.4° | 180.0° |
| C7 | C80 | N81 | H8 | 179.5° | 0.0° |
| C7 | C80 | N81 | H9 | 59.5° | 179.9° |
| N8 | C7 | C80 | N81 | 0.7° | 0.1° |
| C7 | N8 | C9 | H7 | 179.9° | 180.0° |
| C80 | N81 | H8 | H9 | 120.0° | 179.9° |
| O34 | P32 | O35 | O33 | 128.3° | 120.0° |
| O34 | P32 | O33 | C36 | 32.1° | 55.0° |
| O34 | P32 | O35 | H15 | 0.0° | 180.0° |
| O35 | P32 | O33 | C36 | 164.4° | 65.0° |
| P32 | O33 | C36 | C37 | 156.5° | 180.0° |
| O33 | P32 | O35 | H15 | 128.3° | 60.0° |
| P32 | O33 | C36 | H16 | 36.5° | 60.0° |
| P32 | O33 | C36 | H17 | 83.4° | 59.9° |
| O33 | C36 | C37 | C40 | 45.2° | 180.0° |
| O33 | C36 | C37 | H16 | 120.1° | 120.0° |
| O33 | C36 | C37 | H17 | 120.1° | 120.1° |
| O33 | C36 | C37 | C39 | 162.9° | 60.0° |
| O33 | C36 | C37 | C38 | 74.7° | 60.0° |
| O33 | C36 | H16 | H17 | 119.7° | 120.0° |
| O44 | C42 | C40 | O41 | 125.7° | 12.8° |
| O44 | C42 | C40 | N43 | 179.4° | 179.9° |
| O44 | C42 | C40 | C37 | 112.4° | 107.2° |
| O44 | C42 | N43 | C45 | 0.4° | 4.8° |
| O44 | C42 | C40 | H24 | 6.6° | 132.8° |
| O44 | C42 | N43 | H26 | 179.6° | 175.1° |
| O41 | C40 | C42 | C37 | 122.0° | 120.0° |
| O41 | C40 | C42 | H24 | 119.1° | 120.0° |
| O41 | C40 | C37 | H24 | 117.0° | 120.0° |
| O41 | C40 | C37 | C36 | 70.4° | 65.4° |
| O41 | C40 | C42 | N43 | 53.7° | 167.1° |
| O41 | C40 | C37 | C39 | 169.1° | 174.6° |
| O41 | C40 | C37 | C38 | 48.1° | 54.6° |
| C42 | C40 | C37 | H24 | 119.0° | 120.0° |
| C42 | C40 | C37 | C36 | 165.7° | 54.6° |
| C42 | C40 | C37 | C39 | 45.2° | 65.4° |
| C42 | C40 | C37 | C38 | 75.9° | 174.6° |
| C40 | C42 | N43 | C45 | 179.0° | 175.1° |
| C42 | C40 | O41 | H25 | 180.0° | 60.0° |
| C40 | C42 | N43 | H26 | 1.1° | 4.9° |
| C40 | C37 | C36 | C39 | 117.7° | 120.0° |
| C40 | C37 | C36 | C38 | 119.9° | 120.0° |
| C37 | C40 | C42 | N43 | 68.3° | 72.9° |
| C40 | C37 | C39 | C38 | 122.3° | 120.0° |
| C40 | C37 | C36 | H16 | 74.9° | 60.0° |
| C40 | C37 | C36 | H17 | 165.3° | 60.0° |
| C40 | C37 | C38 | H18 | 180.0° | 174.8° |
| C40 | C37 | C38 | H19 | 60.0° | 54.9° |
| C40 | C37 | C38 | H20 | 60.0° | 65.1° |
| C40 | C37 | C39 | H21 | 180.0° | 67.1° |
| C40 | C37 | C39 | H22 | 60.0° | 52.9° |
| C40 | C37 | C39 | H23 | 60.0° | 172.9° |
| C37 | C40 | O41 | H25 | 54.8° | 60.0° |
| C36 | C37 | C39 | C38 | 122.4° | 120.0° |
| C37 | C36 | H16 | H17 | 119.7° | 120.0° |
| C36 | C37 | C38 | H18 | 64.6° | 65.1° |
| C36 | C37 | C38 | H19 | 55.4° | 174.9° |
| C36 | C37 | C38 | H20 | 175.4° | 54.9° |
| C36 | C37 | C39 | H21 | 64.7° | 52.9° |
| C36 | C37 | C39 | H22 | 175.3° | 172.9° |
| C36 | C37 | C39 | H23 | 55.3° | 67.1° |
| C36 | C37 | C40 | H24 | 46.6° | 174.6° |
| C42 | N43 | C45 | H26 | 180.0° | 179.9° |
| C42 | N43 | C45 | C46 | 47.9° | 180.0° |
| N43 | C42 | C40 | H24 | 172.8° | 47.2° |
| C42 | N43 | C45 | H27 | 169.0° | 60.0° |
| C42 | N43 | C45 | H28 | 73.3° | 60.0° |
| C39 | C37 | C36 | H16 | 42.9° | 60.0° |
| C39 | C37 | C36 | H17 | 77.0° | 180.0° |
| C39 | C37 | C38 | H18 | 59.6° | 54.8° |
| C39 | C37 | C38 | H19 | 179.6° | 65.1° |
| C39 | C37 | C38 | H20 | 60.4° | 174.9° |
| C37 | C39 | H21 | H22 | 120.0° | 120.0° |
| C37 | C39 | H21 | H23 | 120.0° | 120.0° |
| C37 | C39 | H22 | H23 | 120.0° | 120.0° |
| C39 | C37 | C40 | H24 | 73.9° | 54.6° |
| C38 | C37 | C36 | H16 | 165.2° | 180.0° |
| C38 | C37 | C36 | H17 | 45.4° | 60.0° |
| C37 | C38 | H18 | H19 | 120.0° | 120.0° |
| C37 | C38 | H18 | H20 | 120.0° | 120.0° |
| C37 | C38 | H19 | H20 | 120.0° | 120.0° |
| C38 | C37 | C39 | H21 | 57.7° | 172.9° |
| C38 | C37 | C39 | H22 | 62.3° | 67.1° |
| C38 | C37 | C39 | H23 | 177.6° | 52.8° |
| C38 | C37 | C40 | H24 | 165.1° | 65.4° |
| N43 | C45 | C46 | H27 | 121.1° | 120.0° |
| N43 | C45 | C46 | H28 | 121.1° | 120.0° |
| N43 | C45 | C46 | C47 | 175.1° | 180.0° |
| N43 | C45 | H27 | H28 | 116.4° | 120.0° |
| N43 | C45 | C46 | H29 | 64.5° | 60.0° |
| N43 | C45 | C46 | H30 | 54.7° | 60.0° |
| C45 | C46 | C47 | H29 | 120.4° | 120.0° |
| C45 | C46 | C47 | H30 | 120.4° | 120.0° |
| C45 | C46 | C47 | O49 | 24.8° | 0.0° |
| C45 | C46 | C47 | N48 | 155.5° | 180.0° |
| C46 | C45 | N43 | H26 | 132.1° | 0.0° |
| C46 | C45 | H27 | H28 | 116.5° | 120.0° |
| C45 | C46 | H29 | H30 | 118.8° | 120.0° |
| C46 | C47 | O49 | N48 | 179.7° | 180.0° |
| C46 | C47 | N48 | C50 | 179.6° | 180.0° |
| C47 | C46 | C45 | H27 | 54.0° | 60.0° |
| C47 | C46 | C45 | H28 | 63.8° | 60.0° |
| C47 | C46 | H29 | H30 | 118.8° | 120.0° |
| C46 | C47 | N48 | H31 | 0.4° | 0.0° |
| O49 | C47 | N48 | C50 | 0.7° | 0.0° |
| O49 | C47 | C46 | H29 | 95.6° | 120.0° |
| O49 | C47 | C46 | H30 | 145.2° | 120.0° |
| O49 | C47 | N48 | H31 | 179.4° | 180.0° |
| C47 | N48 | C50 | C51 | 105.9° | 180.0° |
| C47 | N48 | C50 | H31 | 180.0° | 180.0° |
| N48 | C47 | C46 | H29 | 84.1° | 60.0° |
| N48 | C47 | C46 | H30 | 35.1° | 60.0° |
| C47 | N48 | C50 | H32 | 14.5° | 60.1° |
| C47 | N48 | C50 | H33 | 133.6° | 60.0° |
| C50 | C51 | S52 | H34 | 119.6° | 120.0° |
| C50 | C51 | S52 | H35 | 119.6° | 120.0° |
| C51 | C50 | N48 | H32 | 120.4° | 120.0° |
| C51 | C50 | N48 | H33 | 120.5° | 120.0° |
| C50 | C51 | S52 | C53 | 75.0° | 180.0° |
| C51 | C50 | N48 | H31 | 74.1° | 0.0° |
| C51 | C50 | H32 | H33 | 118.7° | 120.1° |
| C50 | C51 | H34 | H35 | 121.2° | 120.0° |
| S52 | C51 | C50 | N48 | 161.7° | 180.0° |
| C51 | S52 | C53 | O54 | 16.8° | 0.0° |
| C51 | S52 | C53 | C55 | 163.8° | 180.0° |
| S52 | C51 | C50 | H32 | 77.9° | 60.0° |
| S52 | C51 | C50 | H33 | 41.2° | 60.0° |
| S52 | C51 | H34 | H35 | 121.2° | 120.0° |
| N48 | C50 | H32 | H33 | 118.7° | 120.0° |
| N48 | C50 | C51 | H34 | 78.8° | 60.0° |
| N48 | C50 | C51 | H35 | 42.1° | 60.0° |
| S52 | C53 | O54 | C55 | 179.4° | 180.0° |
| S52 | C53 | C55 | C56 | 62.7° | 180.0° |
| C53 | S52 | C51 | H34 | 165.4° | 60.0° |
| C53 | S52 | C51 | H35 | 44.6° | 59.9° |
| S52 | C53 | C55 | H36 | 177.0° | 60.0° |
| S52 | C53 | C55 | H37 | 57.7° | 60.0° |
| O54 | C53 | C55 | C56 | 116.7° | 0.0° |
| O54 | C53 | C55 | H36 | 3.6° | 120.0° |
| O54 | C53 | C55 | H37 | 123.0° | 120.0° |
| C53 | C55 | C56 | C57 | 122.0° | 180.0° |
| C53 | C55 | C56 | H36 | 120.3° | 120.0° |
| C53 | C55 | C56 | H37 | 120.3° | 120.1° |
| C53 | C55 | H36 | H37 | 118.9° | 120.0° |
| C53 | C55 | C56 | H38 | 1.2° | 60.0° |
| C53 | C55 | C56 | H39 | 117.3° | 60.0° |
| C57 | C56 | C55 | H38 | 120.8° | 120.0° |
| C57 | C56 | C55 | H39 | 120.8° | 120.0° |
| C56 | C57 | C58 | H40 | 120.2° | 120.0° |
| C56 | C57 | C58 | H41 | 120.3° | 120.0° |
| C56 | C57 | C58 | C59 | 124.2° | 180.0° |
| C57 | C56 | C55 | H36 | 1.6° | 59.9° |
| C57 | C56 | C55 | H37 | 117.7° | 60.0° |
| C57 | C56 | H38 | H39 | 117.6° | 120.0° |
| C56 | C57 | H40 | H41 | 119.3° | 120.0° |
| C56 | C57 | C58 | H42 | 115.5° | 60.0° |
| C56 | C57 | C58 | H43 | 3.9° | 60.0° |
| C55 | C56 | C57 | C58 | 49.0° | 180.0° |
| C56 | C55 | H36 | H37 | 118.9° | 119.9° |
| C55 | C56 | H38 | H39 | 117.7° | 120.0° |
| C55 | C56 | C57 | H40 | 169.3° | 60.0° |
| C55 | C56 | C57 | H41 | 71.2° | 60.0° |
| C57 | C58 | C59 | H42 | 120.3° | 120.0° |
| C57 | C58 | C59 | H43 | 120.3° | 120.0° |
| C57 | C58 | C59 | C60 | 62.1° | 180.0° |
| C58 | C57 | C56 | H38 | 169.8° | 60.0° |
| C58 | C57 | C56 | H39 | 71.8° | 60.0° |
| C58 | C57 | H40 | H41 | 119.3° | 120.0° |
| C57 | C58 | H42 | H43 | 119.1° | 120.0° |
| C57 | C58 | C59 | H44 | 177.8° | 60.0° |
| C57 | C58 | C59 | H45 | 58.1° | 60.0° |
| C58 | C59 | C60 | H44 | 120.1° | 120.0° |
| C58 | C59 | C60 | H45 | 120.2° | 120.0° |
| C58 | C59 | C60 | C61 | 171.4° | 180.0° |
| C59 | C58 | C57 | H40 | 4.0° | 60.0° |
| C59 | C58 | C57 | H41 | 115.5° | 60.0° |
| C59 | C58 | H42 | H43 | 119.1° | 120.1° |
| C58 | C59 | H44 | H45 | 119.5° | 120.1° |
| C58 | C59 | C60 | H46 | 51.1° | 60.0° |
| C58 | C59 | C60 | H47 | 68.3° | 60.0° |
| C59 | C60 | C61 | H46 | 120.3° | 120.0° |
| C59 | C60 | C61 | H47 | 120.3° | 120.0° |
| C59 | C60 | C61 | C62 | 103.6° | 180.0° |
| C60 | C59 | C58 | H42 | 58.2° | 60.0° |
| C60 | C59 | C58 | H43 | 177.6° | 60.0° |
| C60 | C59 | H44 | H45 | 119.5° | 120.0° |
| C59 | C60 | H46 | H47 | 119.2° | 120.0° |
| C59 | C60 | C61 | H48 | 17.0° | 60.0° |
| C59 | C60 | C61 | H49 | 135.8° | 60.0° |
| C60 | C61 | C62 | H48 | 120.6° | 120.0° |
| C60 | C61 | C62 | H49 | 120.6° | 120.1° |
| C60 | C61 | C62 | C63 | 62.0° | NaN° |
| C61 | C60 | C59 | H44 | 68.5° | 60.0° |
| C61 | C60 | C59 | H45 | 51.2° | 60.0° |
| C61 | C60 | H46 | H47 | 119.2° | 120.0° |
| C60 | C61 | H48 | H49 | 118.2° | 120.0° |
| C60 | C61 | C62 | H50 | 58.4° | 60.0° |
| C60 | C61 | C62 | H51 | 177.6° | 59.9° |
| C61 | C62 | C63 | C64 | 105.8° | 180.0° |
| C61 | C62 | C63 | H50 | 120.4° | 120.0° |
| C61 | C62 | C63 | H51 | 120.4° | 120.0° |
| C62 | C61 | C60 | H46 | 136.1° | 60.0° |
| C62 | C61 | C60 | H47 | 16.7° | 59.9° |
| C62 | C61 | H48 | H49 | 118.2° | 120.0° |
| C61 | C62 | H50 | H51 | 118.8° | 120.0° |
| C61 | C62 | C63 | H52 | 14.5° | 60.0° |
| C61 | C62 | C63 | H53 | 134.0° | 59.9° |
| C64 | C63 | C62 | H52 | 120.2° | 120.0° |
| C64 | C63 | C62 | H53 | 120.2° | 120.0° |
| C63 | C64 | C65 | H54 | 120.4° | 119.9° |
| C63 | C64 | C65 | H55 | 120.5° | 120.0° |
| C63 | C64 | C65 | C66 | 169.9° | 180.0° |
| C64 | C63 | C62 | H50 | 14.6° | 60.0° |
| C64 | C63 | C62 | H51 | 133.9° | 60.0° |
| C64 | C63 | H52 | H53 | 119.2° | 120.0° |
| C63 | C64 | H54 | H55 | 118.6° | 120.0° |
| C63 | C64 | C65 | H56 | 69.8° | 60.0° |
| C63 | C64 | C65 | H57 | 49.6° | 60.0° |
| C62 | C63 | C64 | C65 | 123.3° | 180.0° |
| C63 | C62 | C61 | H48 | 177.4° | 60.0° |
| C63 | C62 | C61 | H49 | 58.6° | 59.9° |
| C63 | C62 | H50 | H51 | 118.9° | 120.0° |
| C62 | C63 | H52 | H53 | 119.2° | 120.0° |
| C62 | C63 | C64 | H54 | 116.3° | 60.0° |
| C62 | C63 | C64 | H55 | 2.8° | 60.0° |
| C64 | C65 | C66 | H56 | 120.3° | 120.0° |
| C64 | C65 | C66 | H57 | 120.3° | 120.0° |
| C64 | C65 | C66 | C67 | 147.9° | 180.0° |
| C65 | C64 | C63 | H52 | 116.5° | 60.0° |
| C65 | C64 | C63 | H53 | 3.0° | 60.0° |
| C65 | C64 | H54 | H55 | 118.6° | 120.1° |
| C64 | C65 | H56 | H57 | 119.1° | 120.1° |
| C64 | C65 | C66 | H58 | 92.1° | 60.0° |
| C64 | C65 | C66 | H59 | 27.8° | 60.0° |
| C65 | C66 | C67 | H58 | 120.1° | 120.0° |
| C65 | C66 | C67 | H59 | 120.1° | 120.0° |
| C65 | C66 | C67 | C68 | 71.8° | 180.0° |
| C66 | C65 | C64 | H54 | 49.5° | 60.1° |
| C66 | C65 | C64 | H55 | 69.6° | 60.0° |
| C66 | C65 | H56 | H57 | 119.1° | 120.0° |
| C65 | C66 | H58 | H59 | 119.9° | 120.0° |
| C65 | C66 | C67 | H60 | 167.9° | 60.0° |
| C65 | C66 | C67 | H61 | 48.5° | 60.0° |
| C66 | C67 | C68 | H60 | 120.3° | 120.0° |
| C66 | C67 | C68 | H61 | 120.3° | 120.0° |
| C66 | C67 | C68 | C69 | 165.0° | 179.9° |
| C67 | C66 | C65 | H56 | 27.6° | 60.0° |
| C67 | C66 | C65 | H57 | 91.9° | 60.0° |
| C67 | C66 | H58 | H59 | 119.8° | 120.0° |
| C66 | C67 | H60 | H61 | 119.0° | 120.0° |
| C66 | C67 | C68 | H62 | 44.5° | 60.0° |
| C66 | C67 | C68 | H63 | 74.6° | 60.0° |
| C67 | C68 | C69 | H62 | 120.5° | 120.0° |
| C67 | C68 | C69 | H63 | 120.5° | 120.0° |
| C67 | C68 | C69 | C70 | 53.7° | 180.0° |
| C68 | C67 | C66 | H58 | 48.3° | 60.0° |
| C68 | C67 | C66 | H59 | 168.1° | 60.0° |
| C68 | C67 | H60 | H61 | 119.0° | 120.0° |
| C67 | C68 | H62 | H63 | 118.6° | 120.0° |
| C67 | C68 | C69 | H64 | 66.7° | 60.0° |
| C67 | C68 | C69 | H65 | 174.2° | 60.0° |
| C68 | C69 | C70 | H64 | 120.5° | 120.0° |
| C68 | C69 | C70 | H65 | 120.5° | 120.1° |
| C68 | C69 | C70 | C71 | 143.8° | 179.9° |
| C69 | C68 | C67 | H60 | 74.7° | 60.0° |
| C69 | C68 | C67 | H61 | 44.7° | 60.0° |
| C69 | C68 | H62 | H63 | 118.6° | 120.0° |
| C68 | C69 | H64 | H65 | 118.6° | 120.0° |
| C68 | C69 | C70 | H66 | 23.5° | 60.0° |
| C68 | C69 | C70 | H67 | 96.0° | 60.0° |
| C69 | C70 | C71 | C72 | 61.4° | 180.0° |
| C69 | C70 | C71 | H66 | 120.3° | 120.0° |
| C69 | C70 | C71 | H67 | 120.2° | 120.0° |
| C70 | C69 | C68 | H62 | 174.2° | 60.0° |
| C70 | C69 | C68 | H63 | 66.7° | 60.0° |
| C70 | C69 | H64 | H65 | 118.6° | 120.0° |
| C69 | C70 | H66 | H67 | 119.2° | 120.0° |
| C69 | C70 | C71 | H68 | 58.9° | 60.0° |
| C69 | C70 | C71 | H69 | 178.4° | 60.0° |
| C73 | C72 | C71 | H70 | 120.3° | 120.0° |
| C73 | C72 | C71 | H71 | 120.4° | 120.0° |
| C73 | C72 | C71 | C70 | 170.2° | 180.0° |
| C73 | C72 | C71 | H68 | 49.9° | 60.0° |
| C73 | C72 | C71 | H69 | 69.6° | 60.0° |
| C73 | C72 | H70 | H71 | 118.9° | 120.1° |
| C72 | C73 | H72 | H73 | 120.0° | 119.9° |
| C72 | C73 | H72 | H74 | 120.0° | 120.0° |
| C72 | C73 | H73 | H74 | 120.0° | 120.0° |
| C72 | C71 | C70 | H68 | 120.2° | 120.0° |
| C72 | C71 | C70 | H69 | 120.2° | 120.0° |
| C72 | C71 | C70 | H66 | 58.9° | 60.0° |
| C72 | C71 | C70 | H67 | 178.4° | 60.0° |
| C72 | C71 | H68 | H69 | 119.3° | 120.1° |
| C71 | C72 | H70 | H71 | 118.9° | 120.0° |
| C71 | C72 | C73 | H72 | 180.0° | 180.0° |
| C71 | C72 | C73 | H73 | 60.0° | 60.1° |
| C71 | C72 | C73 | H74 | 60.0° | 60.0° |
| C71 | C70 | C69 | H64 | 95.7° | 60.0° |
| C71 | C70 | C69 | H65 | 23.3° | 60.0° |
| C71 | C70 | H66 | H67 | 119.3° | 120.0° |
| C70 | C71 | H68 | H69 | 119.3° | 119.9° |
| C70 | C71 | C72 | H70 | 69.5° | 60.0° |
| C70 | C71 | C72 | H71 | 49.8° | 60.0° |
| H3 | C14 | C15 | H4 | 35.1° | 21.4° |
| H3 | C14 | C13 | H11 | 103.9° | 123.8° |
| H4 | C15 | O16 | H5 | 56.0° | 56.4° |
| H4 | C15 | C11 | H6 | 160.6° | 160.3° |
| H11 | C13 | C22 | H12 | 76.1° | 66.1° |
| H11 | C13 | C22 | H13 | 44.7° | 173.9° |
| H18 | C38 | H19 | H20 | 120.0° | 120.0° |
| H21 | C39 | H22 | H23 | 120.0° | 120.0° |
| H24 | C40 | O41 | H25 | 61.5° | 180.0° |
| H26 | N43 | C45 | H27 | 11.0° | 120.0° |
| H26 | N43 | C45 | H28 | 106.8° | 120.1° |
| H27 | C45 | C46 | H29 | 174.4° | 180.0° |
| H27 | C45 | C46 | H30 | 66.4° | 60.0° |
| H28 | C45 | C46 | H29 | 56.6° | 60.0° |
| H28 | C45 | C46 | H30 | 175.8° | NaN° |
| H31 | N48 | C50 | H32 | 165.5° | 119.9° |
| H31 | N48 | C50 | H33 | 46.4° | 120.0° |
| H32 | C50 | C51 | H34 | 41.7° | 180.0° |
| H32 | C50 | C51 | H35 | 162.5° | 60.0° |
| H33 | C50 | C51 | H34 | 160.8° | 60.0° |
| H33 | C50 | C51 | H35 | 78.4° | 179.9° |
| H36 | C55 | C56 | H38 | 119.1° | 179.9° |
| H36 | C55 | C56 | H39 | 122.4° | 60.0° |
| H37 | C55 | C56 | H38 | 121.5° | 60.0° |
| H37 | C55 | C56 | H39 | 3.1° | 179.9° |
| H38 | C56 | C57 | H40 | 70.0° | 180.0° |
| H38 | C56 | C57 | H41 | 49.6° | 60.0° |
| H39 | C56 | C57 | H40 | 48.5° | 60.0° |
| H39 | C56 | C57 | H41 | 168.0° | 179.9° |
| H40 | C57 | C58 | H42 | 124.3° | 180.0° |
| H40 | C57 | C58 | H43 | 116.3° | 60.0° |
| H41 | C57 | C58 | H42 | 4.8° | 60.0° |
| H41 | C57 | C58 | H43 | 124.2° | 180.0° |
| H42 | C58 | C59 | H44 | 61.9° | NaN° |
| H42 | C58 | C59 | H45 | 178.4° | 60.0° |
| H43 | C58 | C59 | H44 | 57.5° | 60.0° |
| H43 | C58 | C59 | H45 | 62.2° | 180.0° |
| H44 | C59 | C60 | H46 | 171.3° | 180.0° |
| H44 | C59 | C60 | H47 | 51.8° | 60.0° |
| H45 | C59 | C60 | H46 | 69.1° | 60.0° |
| H45 | C59 | C60 | H47 | 171.5° | 180.0° |
| H46 | C60 | C61 | H48 | 103.3° | 180.0° |
| H46 | C60 | C61 | H49 | 15.6° | 60.0° |
| H47 | C60 | C61 | H48 | 137.3° | 60.1° |
| H47 | C60 | C61 | H49 | 103.9° | 180.0° |
| H48 | C61 | C62 | H50 | 62.2° | 180.0° |
| H48 | C61 | C62 | H51 | 57.0° | 60.1° |
| H49 | C61 | C62 | H50 | 179.0° | 60.1° |
| H49 | C61 | C62 | H51 | 61.8° | NaN° |
| H50 | C62 | C63 | H52 | 134.8° | 180.0° |
| H50 | C62 | C63 | H53 | 105.6° | 60.1° |
| H51 | C62 | C63 | H52 | 105.9° | 60.0° |
| H51 | C62 | C63 | H53 | 13.6° | 180.0° |
| H52 | C63 | C64 | H54 | 3.9° | 180.0° |
| H52 | C63 | C64 | H55 | 123.0° | 60.0° |
| H53 | C63 | C64 | H54 | 123.4° | 60.0° |
| H53 | C63 | C64 | H55 | 117.5° | 180.0° |
| H54 | C64 | C65 | H56 | 169.8° | 179.9° |
| H54 | C64 | C65 | H57 | 70.8° | 59.9° |
| H55 | C64 | C65 | H56 | 50.7° | 60.0° |
| H55 | C64 | C65 | H57 | 170.1° | 180.0° |
| H56 | C65 | C66 | H58 | 147.6° | 180.0° |
| H56 | C65 | C66 | H59 | 92.5° | 60.0° |
| H57 | C65 | C66 | H58 | 28.2° | 60.0° |
| H57 | C65 | C66 | H59 | 148.1° | 180.0° |
| H58 | C66 | C67 | H60 | 72.1° | NaN° |
| H58 | C66 | C67 | H61 | 168.6° | 60.0° |
| H59 | C66 | C67 | H60 | 47.8° | 60.0° |
| H59 | C66 | C67 | H61 | 71.6° | 180.0° |
| H60 | C67 | C68 | H62 | 164.9° | 180.0° |
| H60 | C67 | C68 | H63 | 45.8° | 60.0° |
| H61 | C67 | C68 | H62 | 75.8° | 60.0° |
| H61 | C67 | C68 | H63 | 165.2° | 179.9° |
| H62 | C68 | C69 | H64 | 53.8° | 180.0° |
| H62 | C68 | C69 | H65 | 65.3° | 60.0° |
| H63 | C68 | C69 | H64 | 172.8° | 60.0° |
| H63 | C68 | C69 | H65 | 53.7° | NaN° |
| H64 | C69 | C70 | H66 | 144.0° | 180.0° |
| H64 | C69 | C70 | H67 | 24.5° | 60.0° |
| H65 | C69 | C70 | H66 | 96.9° | 60.1° |
| H65 | C69 | C70 | H67 | 143.6° | 179.9° |
| H66 | C70 | C71 | H68 | 179.1° | 180.0° |
| H66 | C70 | C71 | H69 | 61.3° | 60.0° |
| H67 | C70 | C71 | H68 | 61.3° | 60.0° |
| H67 | C70 | C71 | H69 | 58.2° | 179.9° |
| H68 | C71 | C72 | H70 | 170.3° | 180.0° |
| H68 | C71 | C72 | H71 | 70.5° | 60.0° |
| H69 | C71 | C72 | H70 | 50.7° | 60.0° |
| H69 | C71 | C72 | H71 | 170.0° | 180.0° |
| H70 | C72 | C73 | H72 | 59.7° | 60.0° |
| H70 | C72 | C73 | H73 | 60.3° | 179.9° |
| H70 | C72 | C73 | H74 | 179.7° | 60.0° |
| H71 | C72 | C73 | H72 | 59.6° | 60.0° |
| H71 | C72 | C73 | H73 | 179.6° | 59.9° |
| H71 | C72 | C73 | H74 | 60.4° | 180.0° |
| H72 | C73 | H73 | H74 | 120.0° | 120.1° |
