A1IJ7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | sing | 1.43Å | 1.46Å | |
| O1 | C15 | sing | 1.36Å | 1.36Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | C5 | sing | 1.55Å | 1.54Å | |
| C3 | N8 | sing | 1.48Å | 1.52Å | |
| C5 | C6 | sing | 1.55Å | 1.50Å | |
| C6 | C7 | sing | 1.54Å | 1.49Å | |
| C7 | N8 | sing | 1.48Å | 1.50Å | |
| N8 | C9 | sing | 1.47Å | 1.49Å | |
| C10 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | N12 | sing | 1.33Å | 1.34Å | Aromatic |
| C11 | N34 | sing | 1.39Å | 1.38Å | |
| N12 | C13 | doub | 1.32Å | 1.34Å | Aromatic |
| C13 | N14 | sing | 1.32Å | 1.34Å | Aromatic |
| C13 | C16 | sing | 1.49Å | 1.47Å | |
| N14 | C15 | doub | 1.33Å | 1.33Å | Aromatic |
| C16 | N17 | sing | 1.35Å | 1.38Å | Aromatic |
| C16 | N20 | doub | 1.31Å | 1.31Å | Aromatic |
| N17 | C18 | doub | 1.31Å | 1.28Å | Aromatic |
| C18 | O19 | sing | 1.34Å | 1.33Å | Aromatic |
| C18 | C21 | sing | 1.51Å | 1.52Å | |
| O19 | N20 | sing | 1.21Å | 1.42Å | Aromatic |
| C21 | C22 | sing | 1.52Å | 1.54Å | |
| C21 | C26 | sing | 1.53Å | 1.55Å | |
| C21 | C32 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | doub | 1.34Å | 1.36Å | Aromatic |
| C22 | C29 | sing | 1.45Å | 1.45Å | Aromatic |
| C23 | C24 | sing | 1.52Å | 1.50Å | |
| C23 | S27 | sing | 1.76Å | 1.73Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| S27 | C28 | sing | 1.70Å | 1.73Å | Aromatic |
| C28 | C29 | doub | 1.37Å | 1.39Å | Aromatic |
| C28 | N31 | sing | 1.38Å | 1.34Å | |
| C29 | C30 | sing | 1.43Å | 1.43Å | |
| C30 | N33 | trip | 1.14Å | 1.15Å | |
| N34 | C37 | sing | 1.48Å | 1.46Å | |
| N34 | C38 | sing | 1.49Å | 1.47Å | |
| C35 | C36 | sing | 1.55Å | 1.53Å | |
| C35 | C38 | sing | 1.55Å | 1.54Å | |
| C35 | N39 | sing | 1.46Å | 1.46Å | |
| C36 | C37 | sing | 1.54Å | 1.51Å | |
| N39 | C40 | sing | 1.35Å | 1.36Å | |
| C40 | N41 | sing | 1.35Å | 1.37Å | |
| C40 | O48 | doub | 1.21Å | 1.23Å | |
| N41 | C42 | sing | 1.46Å | 1.50Å | |
| C42 | C43 | sing | 1.53Å | 1.50Å | |
| C42 | C46 | sing | 1.53Å | 1.50Å | |
| C42 | C47 | sing | 1.53Å | 1.50Å | |
| C43 | O44 | sing | 1.43Å | 1.42Å | |
| O44 | C45 | sing | 1.43Å | 1.44Å | |
| C46 | C47 | sing | 1.53Å | 1.50Å | |
| C4 | H4C | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C5 | H5B | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H9C | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| N31 | H31A | sing | 0.97Å | 1.00Å | |
| N31 | H31B | sing | 0.97Å | 1.00Å | |
| C32 | H32C | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C36 | H36B | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C37 | H37B | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C38 | H38B | sing | 1.09Å | 1.10Å | |
| N39 | H39 | sing | 0.97Å | 1.00Å | |
| N41 | H41 | sing | 0.97Å | 1.00Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| C43 | H43B | sing | 1.09Å | 1.10Å | |
| C45 | H45A | sing | 1.09Å | 1.10Å | |
| C45 | H45B | sing | 1.09Å | 1.10Å | |
| C45 | H45C | sing | 1.09Å | 1.10Å | |
| C46 | H46A | sing | 1.09Å | 1.10Å | |
| C46 | H46B | sing | 1.09Å | 1.10Å | |
| C47 | H47A | sing | 1.09Å | 1.10Å | |
| C47 | H47B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | O1 | C15 | 121.9° | 117.0° |
| O1 | C2 | C3 | 106.3° | 109.5° |
| O1 | C2 | C4 | 107.0° | 109.5° |
| O1 | C2 | H2 | 110.5° | 109.5° |
| O1 | C15 | C10 | 115.7° | 120.4° |
| O1 | C15 | N14 | 120.3° | 120.5° |
| C3 | C2 | C4 | 113.8° | 109.5° |
| C2 | C3 | C5 | 114.4° | 110.4° |
| C2 | C3 | N8 | 113.6° | 110.4° |
| C3 | C2 | H2 | 109.4° | 109.5° |
| C2 | C3 | H3 | 108.4° | 110.4° |
| C2 | C4 | H4C | 109.5° | 109.5° |
| C2 | C4 | H4A | 109.5° | 109.5° |
| C2 | C4 | H4B | 109.5° | 109.5° |
| C4 | C2 | H2 | 109.8° | 109.4° |
| C5 | C3 | N8 | 103.2° | 104.8° |
| C3 | C5 | C6 | 106.0° | 101.7° |
| C3 | C5 | H5A | 110.3° | 111.0° |
| C3 | C5 | H5B | 110.3° | 111.1° |
| C5 | C3 | H3 | 108.4° | 110.4° |
| C3 | N8 | C7 | 107.2° | 108.6° |
| C3 | N8 | C9 | 115.3° | 111.0° |
| N8 | C3 | H3 | 108.5° | 110.4° |
| C5 | C6 | C7 | 102.0° | 103.0° |
| C6 | C5 | H5A | 110.3° | 110.9° |
| C6 | C5 | H5B | 110.3° | 110.9° |
| C5 | C6 | H6A | 111.3° | 110.7° |
| C5 | C6 | H6B | 111.3° | 110.7° |
| C6 | C7 | N8 | 104.8° | 107.2° |
| C7 | C6 | H6A | 111.3° | 110.8° |
| C7 | C6 | H6B | 111.3° | 110.7° |
| C6 | C7 | H7A | 110.6° | 109.9° |
| C6 | C7 | H7B | 110.6° | 109.9° |
| C7 | N8 | C9 | 113.5° | 111.0° |
| N8 | C7 | H7A | 110.6° | 109.9° |
| N8 | C7 | H7B | 110.6° | 109.9° |
| N8 | C9 | H9C | 109.5° | 109.5° |
| N8 | C9 | H9A | 109.5° | 109.5° |
| N8 | C9 | H9B | 109.5° | 109.5° |
| C11 | C10 | C15 | 116.2° | 118.4° |
| C10 | C11 | N12 | 121.0° | 119.1° |
| C10 | C11 | N34 | 121.8° | 120.4° |
| C11 | C10 | H10 | 121.9° | 120.8° |
| C10 | C15 | N14 | 124.0° | 119.2° |
| C15 | C10 | H10 | 121.9° | 120.8° |
| N12 | C11 | N34 | 117.3° | 120.5° |
| C11 | N12 | C13 | 117.4° | 120.8° |
| C11 | N34 | C37 | 124.4° | 111.0° |
| C11 | N34 | C38 | 123.5° | 111.0° |
| N12 | C13 | N14 | 125.9° | 121.7° |
| N12 | C13 | C16 | 118.7° | 119.2° |
| N14 | C13 | C16 | 115.4° | 119.1° |
| C13 | N14 | C15 | 115.5° | 120.9° |
| C13 | C16 | N17 | 123.6° | 126.4° |
| C13 | C16 | N20 | 121.8° | 126.4° |
| N17 | C16 | N20 | 114.6° | 107.2° |
| C16 | N17 | C18 | 101.7° | 105.6° |
| C16 | N20 | O19 | 103.3° | 110.1° |
| N17 | C18 | O19 | 115.2° | 107.1° |
| N17 | C18 | C21 | 127.5° | 126.5° |
| O19 | C18 | C21 | 117.2° | 126.4° |
| C18 | O19 | N20 | 105.3° | 110.0° |
| C18 | C21 | C22 | 108.2° | 109.6° |
| C18 | C21 | C26 | 106.9° | 109.6° |
| C18 | C21 | C32 | 110.3° | 109.7° |
| C22 | C21 | C26 | 110.1° | 108.8° |
| C22 | C21 | C32 | 111.4° | 109.6° |
| C21 | C22 | C23 | 122.4° | 123.5° |
| C21 | C22 | C29 | 125.7° | 124.1° |
| C26 | C21 | C32 | 109.8° | 109.6° |
| C21 | C26 | C25 | 114.9° | 109.2° |
| C21 | C26 | H26A | 108.1° | 109.5° |
| C21 | C26 | H26B | 108.1° | 109.5° |
| C21 | C32 | H32C | 109.5° | 109.5° |
| C21 | C32 | H32A | 109.5° | 109.5° |
| C21 | C32 | H32B | 109.5° | 109.4° |
| C23 | C22 | C29 | 111.7° | 112.4° |
| C22 | C23 | C24 | 125.7° | 124.3° |
| C22 | C23 | S27 | 112.9° | 110.8° |
| C22 | C29 | C28 | 112.8° | 113.3° |
| C22 | C29 | C30 | 125.7° | 123.3° |
| C24 | C23 | S27 | 121.3° | 124.9° |
| C23 | C24 | C25 | 109.7° | 108.8° |
| C23 | C24 | H24A | 109.4° | 109.5° |
| C23 | C24 | H24B | 109.4° | 109.8° |
| C23 | S27 | C28 | 91.7° | 92.7° |
| C24 | C25 | C26 | 111.0° | 109.0° |
| C25 | C24 | H24A | 109.4° | 109.6° |
| C25 | C24 | H24B | 109.4° | 109.6° |
| C24 | C25 | H25A | 109.1° | 109.5° |
| C24 | C25 | H25B | 109.1° | 109.5° |
| C25 | C26 | H26A | 108.1° | 109.5° |
| C25 | C26 | H26B | 108.1° | 109.7° |
| C26 | C25 | H25A | 109.1° | 109.5° |
| C26 | C25 | H25B | 109.1° | 109.6° |
| S27 | C28 | C29 | 110.9° | 110.7° |
| S27 | C28 | N31 | 120.7° | 124.6° |
| C29 | C28 | N31 | 128.4° | 124.7° |
| C28 | C29 | C30 | 121.5° | 123.3° |
| C28 | N31 | H31A | 109.5° | 119.9° |
| C28 | N31 | H31B | 109.4° | 120.1° |
| C29 | C30 | N33 | 177.7° | 180.0° |
| C37 | N34 | C38 | 112.1° | 105.8° |
| N34 | C37 | C36 | 103.2° | 107.1° |
| N34 | C37 | H37A | 111.0° | 109.9° |
| N34 | C37 | H37B | 111.0° | 109.9° |
| N34 | C38 | C35 | 106.0° | 103.2° |
| N34 | C38 | H38A | 110.3° | 110.7° |
| N34 | C38 | H38B | 110.4° | 110.7° |
| C36 | C35 | C38 | 104.3° | 102.9° |
| C36 | C35 | N39 | 111.8° | 110.7° |
| C35 | C36 | C37 | 107.6° | 105.1° |
| C36 | C35 | H35 | 107.9° | 110.7° |
| C35 | C36 | H36A | 109.9° | 110.3° |
| C35 | C36 | H36B | 110.0° | 110.3° |
| C38 | C35 | N39 | 115.8° | 110.7° |
| C38 | C35 | H35 | 107.8° | 110.8° |
| C35 | C38 | H38A | 110.3° | 110.6° |
| C35 | C38 | H38B | 110.3° | 110.7° |
| C35 | N39 | C40 | 122.9° | 119.9° |
| N39 | C35 | H35 | 108.8° | 110.8° |
| C35 | N39 | H39 | 118.5° | 120.0° |
| C37 | C36 | H36A | 110.0° | 110.3° |
| C37 | C36 | H36B | 110.0° | 110.3° |
| C36 | C37 | H37A | 111.0° | 109.9° |
| C36 | C37 | H37B | 111.0° | 109.9° |
| N39 | C40 | N41 | 114.9° | 120.0° |
| N39 | C40 | O48 | 122.0° | 120.0° |
| C40 | N39 | H39 | 118.5° | 120.0° |
| N41 | C40 | O48 | 123.1° | 120.0° |
| C40 | N41 | C42 | 122.0° | 120.0° |
| C40 | N41 | H41 | 119.0° | 120.0° |
| N41 | C42 | C43 | 117.2° | 115.5° |
| N41 | C42 | C46 | 116.1° | 117.6° |
| N41 | C42 | C47 | 116.9° | 117.5° |
| C42 | N41 | H41 | 119.0° | 120.1° |
| C43 | C42 | C46 | 117.5° | 117.5° |
| C43 | C42 | C47 | 116.7° | 117.5° |
| C42 | C43 | O44 | 110.7° | 109.5° |
| C42 | C43 | H43A | 109.2° | 109.5° |
| C42 | C43 | H43B | 109.2° | 109.4° |
| C46 | C42 | C47 | 60.0° | 60.1° |
| C42 | C46 | C47 | 60.0° | 60.0° |
| C42 | C46 | H46A | 120.0° | 117.5° |
| C42 | C46 | H46B | 120.0° | 117.5° |
| C42 | C47 | C46 | 60.0° | 60.0° |
| C42 | C47 | H47A | 120.0° | 117.6° |
| C42 | C47 | H47B | 120.0° | 117.5° |
| C43 | O44 | C45 | 113.3° | 113.9° |
| O44 | C43 | H43A | 109.2° | 109.5° |
| O44 | C43 | H43B | 109.1° | 109.5° |
| O44 | C45 | H45A | 109.5° | 109.4° |
| O44 | C45 | H45B | 109.5° | 109.5° |
| O44 | C45 | H45C | 109.5° | 109.5° |
| C47 | C46 | H46A | 120.0° | 117.5° |
| C47 | C46 | H46B | 120.0° | 117.5° |
| C46 | C47 | H47A | 120.0° | 117.5° |
| C46 | C47 | H47B | 120.0° | 117.4° |
| H4C | C4 | H4A | 109.5° | 109.4° |
| H4C | C4 | H4B | 109.5° | 109.5° |
| H4A | C4 | H4B | 109.5° | 109.4° |
| H5A | C5 | H5B | 109.5° | 110.9° |
| H6A | C6 | H6B | 109.5° | 110.8° |
| H7A | C7 | H7B | 109.5° | 110.0° |
| H24A | C24 | H24B | 109.4° | 109.5° |
| H26A | C26 | H26B | 109.4° | 109.5° |
| H9C | C9 | H9A | 109.4° | 109.5° |
| H9C | C9 | H9B | 109.5° | 109.4° |
| H9A | C9 | H9B | 109.5° | 109.4° |
| H25A | C25 | H25B | 109.4° | 109.7° |
| H31A | N31 | H31B | 109.5° | 120.0° |
| H32C | C32 | H32A | 109.5° | 109.5° |
| H32C | C32 | H32B | 109.5° | 109.5° |
| H32A | C32 | H32B | 109.4° | 109.5° |
| H36A | C36 | H36B | 109.5° | 110.4° |
| H37A | C37 | H37B | 109.5° | 110.1° |
| H38A | C38 | H38B | 109.5° | 110.7° |
| H43A | C43 | H43B | 109.5° | 109.4° |
| H45A | C45 | H45B | 109.4° | 109.5° |
| H45A | C45 | H45C | 109.4° | 109.5° |
| H45B | C45 | H45C | 109.5° | 109.5° |
| H46A | C46 | H46B | 109.4° | 115.5° |
| H47A | C47 | H47B | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C3 | C4 | 117.5° | 120.0° |
| O1 | C2 | C3 | H2 | 119.4° | 120.0° |
| O1 | C2 | C4 | H2 | 120.0° | 120.0° |
| O1 | C2 | C3 | C5 | 168.0° | 60.0° |
| O1 | C2 | C3 | N8 | 49.9° | 55.4° |
| C2 | O1 | C15 | C10 | 177.5° | 180.0° |
| C2 | O1 | C15 | N14 | 1.3° | 0.0° |
| O1 | C2 | C4 | H4C | 180.0° | 180.0° |
| O1 | C2 | C4 | H4A | 60.0° | 60.0° |
| O1 | C2 | C4 | H4B | 60.0° | 60.0° |
| O1 | C2 | C3 | H3 | 70.9° | 177.7° |
| C15 | O1 | C2 | C3 | 145.5° | 150.0° |
| C15 | O1 | C2 | C4 | 92.7° | 90.0° |
| O1 | C15 | C10 | C11 | 177.6° | 180.0° |
| O1 | C15 | C10 | N14 | 178.8° | 180.0° |
| O1 | C15 | N14 | C13 | 178.1° | 180.0° |
| O1 | C15 | C10 | H10 | 2.5° | 0.3° |
| C15 | O1 | C2 | H2 | 26.8° | 30.0° |
| C3 | C2 | C4 | H2 | 123.0° | 120.0° |
| C2 | C3 | C5 | N8 | 123.9° | 118.8° |
| C2 | C3 | C5 | H3 | 121.1° | 122.3° |
| C2 | C3 | N8 | H3 | 120.7° | 122.3° |
| C2 | C3 | C5 | C6 | 146.7° | 155.9° |
| C2 | C3 | N8 | C7 | 122.4° | 142.9° |
| C2 | C3 | N8 | C9 | 110.1° | 94.8° |
| C3 | C2 | C4 | H4C | 62.9° | 60.0° |
| C3 | C2 | C4 | H4A | 177.1° | 180.0° |
| C3 | C2 | C4 | H4B | 57.1° | 60.1° |
| C2 | C3 | C5 | H5A | 27.3° | 86.1° |
| C2 | C3 | C5 | H5B | 93.8° | 37.8° |
| C4 | C2 | C3 | C5 | 74.5° | 180.0° |
| C4 | C2 | C3 | N8 | 167.4° | 64.6° |
| C2 | C4 | H4C | H4A | 120.0° | 120.0° |
| C2 | C4 | H4C | H4B | 120.0° | 120.0° |
| C2 | C4 | H4A | H4B | 120.0° | 120.0° |
| C4 | C2 | C3 | H3 | 46.6° | 57.7° |
| C5 | C3 | N8 | H3 | 114.9° | 118.8° |
| C3 | C5 | C6 | H5A | 119.4° | 118.1° |
| C3 | C5 | C6 | H5B | 119.4° | 118.2° |
| C3 | C5 | C6 | C7 | 39.0° | 35.6° |
| C5 | C3 | N8 | C7 | 2.0° | 24.1° |
| C5 | C3 | N8 | C9 | 125.5° | 146.3° |
| C3 | C5 | H5A | H5B | 121.6° | 124.0° |
| C3 | C5 | C6 | H6A | 157.8° | 154.1° |
| C3 | C5 | C6 | H6B | 79.8° | 82.7° |
| C5 | C3 | C2 | H2 | 48.6° | 60.0° |
| N8 | C3 | C5 | C6 | 22.8° | 37.1° |
| C3 | N8 | C7 | C6 | 26.2° | 1.0° |
| C3 | N8 | C7 | C9 | 128.6° | 122.2° |
| N8 | C3 | C5 | H5A | 96.6° | 155.1° |
| N8 | C3 | C5 | H5B | 142.3° | 81.0° |
| C3 | N8 | C7 | H7A | 93.1° | 120.4° |
| C3 | N8 | C7 | H7B | 145.4° | 118.4° |
| N8 | C3 | C2 | H2 | 69.5° | 175.4° |
| C3 | N8 | C9 | H9C | 180.0° | 60.7° |
| C3 | N8 | C9 | H9A | 60.0° | 59.4° |
| C3 | N8 | C9 | H9B | 60.0° | 179.3° |
| C5 | C6 | C7 | H6A | 118.8° | 118.4° |
| C5 | C6 | C7 | H6B | 118.8° | 118.3° |
| C5 | C6 | C7 | N8 | 39.8° | 22.2° |
| C6 | C5 | H5A | H5B | 121.6° | 123.8° |
| C5 | C6 | H6A | H6B | 123.5° | 123.2° |
| C5 | C6 | C7 | H7A | 79.4° | 97.1° |
| C5 | C6 | C7 | H7B | 159.1° | 141.7° |
| C6 | C5 | C3 | H3 | 92.2° | 81.8° |
| C6 | C7 | N8 | H7A | 119.2° | 119.4° |
| C6 | C7 | N8 | H7B | 119.2° | 119.4° |
| C6 | C7 | N8 | C9 | 102.4° | 123.2° |
| C7 | C6 | C5 | H5A | 80.4° | 153.7° |
| C7 | C6 | C5 | H5B | 158.4° | 82.5° |
| C7 | C6 | H6A | H6B | 123.4° | 123.2° |
| C6 | C7 | H7A | H7B | 122.1° | 121.1° |
| N8 | C7 | C6 | H6A | 158.6° | 140.6° |
| N8 | C7 | C6 | H6B | 79.0° | 96.1° |
| N8 | C7 | H7A | H7B | 122.2° | 121.1° |
| C7 | N8 | C3 | H3 | 116.9° | 94.7° |
| C7 | N8 | C9 | H9C | 55.7° | 60.1° |
| C7 | N8 | C9 | H9A | 64.3° | 179.8° |
| C7 | N8 | C9 | H9B | 175.7° | 59.9° |
| C9 | N8 | C7 | H7A | 138.3° | 117.4° |
| C9 | N8 | C7 | H7B | 16.8° | 3.8° |
| C9 | N8 | C3 | H3 | 10.6° | 27.5° |
| N8 | C9 | H9C | H9A | 120.0° | 120.0° |
| N8 | C9 | H9C | H9B | 120.0° | 120.0° |
| N8 | C9 | H9A | H9B | 120.0° | 120.0° |
| C11 | C10 | C15 | H10 | 180.0° | 179.7° |
| C10 | C11 | N12 | N34 | 178.9° | 180.0° |
| C10 | C11 | N12 | C13 | 0.4° | 0.0° |
| C11 | C10 | C15 | N14 | 1.2° | 0.0° |
| C10 | C11 | N34 | C37 | 177.3° | 59.9° |
| C10 | C11 | N34 | C38 | 0.3° | 177.3° |
| C15 | C10 | C11 | N12 | 1.1° | 0.0° |
| C15 | C10 | C11 | N34 | 177.8° | 180.0° |
| C10 | C15 | N14 | C13 | 0.6° | 0.0° |
| C11 | N12 | C13 | N14 | 0.2° | 0.0° |
| C11 | N12 | C13 | C16 | 178.3° | 180.0° |
| N12 | C11 | N34 | C37 | 1.6° | 120.1° |
| N12 | C11 | N34 | C38 | 178.5° | 2.7° |
| N12 | C11 | C10 | H10 | 178.9° | 179.7° |
| N34 | C11 | N12 | C13 | 178.5° | 180.0° |
| C11 | N34 | C37 | C38 | 177.3° | 120.5° |
| C11 | N34 | C38 | C35 | 173.2° | 159.8° |
| C11 | N34 | C37 | C36 | 160.3° | 145.9° |
| N34 | C11 | C10 | H10 | 2.3° | 0.2° |
| C11 | N34 | C37 | H37A | 80.7° | 26.4° |
| C11 | N34 | C37 | H37B | 41.4° | 94.8° |
| C11 | N34 | C38 | H38A | 53.8° | 81.9° |
| C11 | N34 | C38 | H38B | 67.4° | 41.3° |
| N12 | C13 | N14 | C16 | 178.5° | 180.0° |
| N12 | C13 | N14 | C15 | 0.1° | 0.0° |
| N12 | C13 | C16 | N17 | 0.1° | 180.0° |
| N12 | C13 | C16 | N20 | 179.4° | 0.2° |
| N14 | C13 | C16 | N17 | 178.7° | 0.0° |
| N14 | C13 | C16 | N20 | 0.7° | 179.7° |
| C16 | C13 | N14 | C15 | 178.4° | 180.0° |
| C13 | C16 | N17 | N20 | 179.5° | 179.8° |
| C13 | C16 | N17 | C18 | 179.7° | 180.0° |
| C13 | C16 | N20 | O19 | 179.6° | 179.8° |
| N14 | C15 | C10 | H10 | 178.8° | 179.8° |
| C16 | N17 | C18 | O19 | 0.3° | 0.0° |
| C16 | N17 | C18 | C21 | 177.2° | 180.0° |
| N17 | C16 | N20 | O19 | 0.1° | 0.5° |
| N20 | C16 | N17 | C18 | 0.2° | 0.2° |
| C16 | N20 | O19 | C18 | 0.1° | 0.5° |
| N17 | C18 | O19 | C21 | 177.8° | 179.9° |
| N17 | C18 | O19 | N20 | 0.2° | 0.3° |
| N17 | C18 | C21 | C22 | 120.4° | 60.0° |
| N17 | C18 | C21 | C26 | 121.1° | 179.3° |
| N17 | C18 | C21 | C32 | 1.7° | 60.4° |
| O19 | C18 | C21 | C22 | 62.2° | 120.0° |
| O19 | C18 | C21 | C26 | 56.3° | 0.6° |
| O19 | C18 | C21 | C32 | 175.7° | 119.7° |
| C21 | C18 | O19 | N20 | 177.5° | 179.7° |
| C18 | C21 | C22 | C26 | 116.5° | 119.8° |
| C18 | C21 | C22 | C32 | 121.4° | 120.4° |
| C18 | C21 | C26 | C32 | 119.7° | 120.4° |
| C18 | C21 | C22 | C23 | 126.8° | 136.9° |
| C18 | C21 | C22 | C29 | 57.8° | 43.1° |
| C18 | C21 | C26 | C25 | 155.1° | 170.4° |
| C18 | C21 | C26 | H26A | 84.1° | 69.7° |
| C18 | C21 | C26 | H26B | 34.3° | 50.4° |
| C18 | C21 | C32 | H32C | 180.0° | 60.4° |
| C18 | C21 | C32 | H32A | 60.0° | 59.7° |
| C18 | C21 | C32 | H32B | 60.0° | 179.7° |
| C22 | C21 | C26 | C32 | 123.1° | 119.8° |
| C21 | C22 | C23 | C29 | 176.1° | 180.0° |
| C21 | C22 | C23 | C24 | 4.1° | 0.1° |
| C21 | C22 | C23 | S27 | 175.7° | 180.0° |
| C22 | C21 | C26 | C25 | 37.8° | 50.6° |
| C21 | C22 | C29 | C28 | 175.4° | 180.0° |
| C21 | C22 | C29 | C30 | 5.2° | 0.0° |
| C22 | C21 | C26 | H26A | 158.6° | 170.5° |
| C22 | C21 | C26 | H26B | 83.0° | 69.5° |
| C22 | C21 | C32 | H32C | 59.9° | 60.0° |
| C22 | C21 | C32 | H32A | 60.1° | 180.0° |
| C22 | C21 | C32 | H32B | 179.9° | 60.0° |
| C26 | C21 | C22 | C23 | 10.2° | 17.0° |
| C26 | C21 | C22 | C29 | 174.3° | 162.9° |
| C21 | C26 | C25 | C24 | 59.7° | 70.3° |
| C21 | C26 | C25 | H26A | 120.8° | 119.9° |
| C21 | C26 | C25 | H26B | 120.8° | 120.0° |
| C21 | C26 | H26A | H26B | 117.5° | 120.0° |
| C21 | C26 | C25 | H25A | 180.0° | 169.8° |
| C21 | C26 | C25 | H25B | 60.6° | 49.5° |
| C26 | C21 | C32 | H32C | 62.4° | 179.3° |
| C26 | C21 | C32 | H32A | 177.6° | 60.7° |
| C26 | C21 | C32 | H32B | 57.6° | 59.3° |
| C32 | C21 | C22 | C23 | 111.9° | 102.7° |
| C32 | C21 | C22 | C29 | 63.6° | 77.3° |
| C32 | C21 | C26 | C25 | 85.3° | 69.2° |
| C32 | C21 | C26 | H26A | 35.5° | 50.7° |
| C32 | C21 | C26 | H26B | 153.9° | 170.8° |
| C21 | C32 | H32C | H32A | 120.0° | 120.0° |
| C21 | C32 | H32C | H32B | 120.0° | 119.9° |
| C21 | C32 | H32A | H32B | 120.0° | 120.0° |
| C22 | C23 | C24 | S27 | 179.7° | 179.9° |
| C22 | C23 | C24 | C25 | 23.6° | 16.6° |
| C22 | C23 | S27 | C28 | 0.1° | 0.0° |
| C23 | C22 | C29 | C28 | 0.5° | 0.0° |
| C23 | C22 | C29 | C30 | 178.9° | 180.0° |
| C22 | C23 | C24 | H24A | 96.5° | 103.2° |
| C22 | C23 | C24 | H24B | 143.6° | 136.5° |
| C29 | C22 | C23 | C24 | 179.9° | 179.9° |
| C29 | C22 | C23 | S27 | 0.3° | 0.0° |
| C22 | C29 | C28 | S27 | 0.4° | 0.0° |
| C22 | C29 | C28 | C30 | 179.4° | 180.0° |
| C22 | C29 | C28 | N31 | 176.2° | 180.0° |
| C22 | C29 | C30 | N33 | 113.1° | 153.2° |
| C23 | C24 | C25 | H24A | 120.0° | 119.7° |
| C23 | C24 | C25 | H24B | 120.1° | 120.1° |
| C23 | C24 | C25 | C26 | 49.0° | 50.0° |
| C24 | C23 | S27 | C28 | 179.9° | 180.0° |
| C23 | C24 | H24A | H24B | 119.9° | 120.5° |
| C23 | C24 | C25 | H25A | 169.2° | 169.8° |
| C23 | C24 | C25 | H25B | 71.3° | 69.9° |
| S27 | C23 | C24 | C25 | 156.2° | 163.3° |
| C23 | S27 | C28 | C29 | 0.2° | 0.0° |
| C23 | S27 | C28 | N31 | 176.7° | 180.0° |
| S27 | C23 | C24 | H24A | 83.8° | 76.9° |
| S27 | C23 | C24 | H24B | 36.1° | 43.4° |
| C24 | C25 | C26 | H25A | 120.3° | 119.8° |
| C24 | C25 | C26 | H25B | 120.3° | 119.8° |
| C25 | C24 | H24A | H24B | 119.9° | 120.3° |
| C24 | C25 | C26 | H26A | 179.5° | 169.8° |
| C24 | C25 | C26 | H26B | 61.1° | 49.6° |
| C24 | C25 | H25A | H25B | 119.3° | 120.2° |
| C26 | C25 | C24 | H24A | 71.0° | 69.7° |
| C26 | C25 | C24 | H24B | 169.1° | 170.0° |
| C25 | C26 | H26A | H26B | 117.6° | 120.3° |
| C26 | C25 | H25A | H25B | 119.3° | 120.3° |
| S27 | C28 | C29 | N31 | 176.6° | 180.0° |
| S27 | C28 | C29 | C30 | 179.0° | 180.0° |
| S27 | C28 | N31 | H31A | 0.0° | 180.0° |
| S27 | C28 | N31 | H31B | 120.0° | 0.0° |
| C28 | C29 | C30 | N33 | 66.2° | 26.8° |
| C29 | C28 | N31 | H31A | 176.4° | 0.0° |
| C29 | C28 | N31 | H31B | 63.6° | 180.0° |
| N31 | C28 | C29 | C30 | 4.4° | 0.0° |
| C28 | N31 | H31A | H31B | 120.0° | 180.0° |
| N34 | C37 | C36 | C35 | 26.5° | 1.2° |
| C37 | N34 | C38 | C35 | 9.5° | 39.2° |
| N34 | C37 | C36 | H37A | 119.0° | 119.4° |
| N34 | C37 | C36 | H37B | 119.0° | 119.3° |
| N34 | C37 | C36 | H36A | 93.2° | 117.7° |
| N34 | C37 | C36 | H36B | 146.3° | 120.1° |
| N34 | C37 | H37A | H37B | 122.9° | 121.1° |
| C37 | N34 | C38 | H38A | 129.0° | 157.6° |
| C37 | N34 | C38 | H38B | 109.9° | 79.2° |
| N34 | C38 | C35 | C36 | 7.5° | 37.4° |
| N34 | C38 | C35 | H38A | 119.4° | 118.4° |
| N34 | C38 | C35 | H38B | 119.5° | 118.5° |
| N34 | C38 | C35 | N39 | 115.9° | 155.7° |
| C38 | N34 | C37 | C36 | 22.4° | 25.3° |
| N34 | C38 | C35 | H35 | 122.0° | 80.9° |
| C38 | N34 | C37 | H37A | 96.6° | 94.1° |
| C38 | N34 | C37 | H37B | 141.4° | 144.7° |
| N34 | C38 | H38A | H38B | 121.6° | 123.1° |
| C36 | C35 | C38 | N39 | 123.4° | 118.3° |
| C36 | C35 | C38 | H35 | 114.5° | 118.3° |
| C36 | C35 | N39 | H35 | 119.1° | 123.3° |
| C35 | C36 | C37 | H36A | 119.7° | 118.9° |
| C35 | C36 | C37 | H36B | 119.7° | 118.9° |
| C36 | C35 | N39 | C40 | 179.4° | 86.5° |
| C35 | C36 | H36A | H36B | 120.9° | 122.1° |
| C35 | C36 | C37 | H37A | 92.5° | 118.2° |
| C35 | C36 | C37 | H37B | 145.5° | 120.5° |
| C36 | C35 | C38 | H38A | 111.9° | 155.8° |
| C36 | C35 | C38 | H38B | 127.0° | 81.0° |
| C36 | C35 | N39 | H39 | 0.5° | 93.6° |
| C38 | C35 | N39 | H35 | 121.6° | 123.3° |
| C38 | C35 | C36 | C37 | 21.2° | 22.0° |
| C38 | C35 | N39 | C40 | 61.2° | 160.1° |
| C38 | C35 | C36 | H36A | 98.5° | 140.9° |
| C38 | C35 | C36 | H36B | 140.9° | 97.0° |
| C35 | C38 | H38A | H38B | 121.6° | 123.1° |
| C38 | C35 | N39 | H39 | 118.8° | 19.9° |
| N39 | C35 | C36 | C37 | 104.7° | 140.3° |
| C35 | N39 | C40 | H39 | 180.0° | 179.9° |
| C35 | N39 | C40 | N41 | 178.7° | 180.0° |
| C35 | N39 | C40 | O48 | 0.3° | 0.0° |
| N39 | C35 | C36 | H36A | 135.6° | 100.8° |
| N39 | C35 | C36 | H36B | 15.0° | 21.3° |
| N39 | C35 | C38 | H38A | 124.7° | 85.9° |
| N39 | C35 | C38 | H38B | 3.6° | 37.3° |
| C37 | C36 | C35 | H35 | 135.7° | 96.4° |
| C37 | C36 | H36A | H36B | 120.9° | 122.2° |
| C36 | C37 | H37A | H37B | 122.9° | 121.2° |
| N39 | C40 | N41 | O48 | 179.0° | 180.0° |
| N39 | C40 | N41 | C42 | 157.9° | 175.0° |
| C40 | N39 | C35 | H35 | 60.3° | 36.7° |
| N39 | C40 | N41 | H41 | 22.1° | 5.1° |
| C40 | N41 | C42 | H41 | 180.0° | 179.9° |
| C40 | N41 | C42 | C43 | 174.0° | 65.5° |
| C40 | N41 | C42 | C46 | 39.9° | 80.2° |
| C40 | N41 | C42 | C47 | 28.1° | 148.9° |
| N41 | C40 | N39 | H39 | 1.3° | 0.1° |
| O48 | C40 | N41 | C42 | 23.2° | 5.0° |
| O48 | C40 | N39 | H39 | 179.7° | 179.9° |
| O48 | C40 | N41 | H41 | 156.8° | 174.9° |
| N41 | C42 | C43 | C46 | 145.6° | 145.7° |
| N41 | C42 | C43 | C47 | 146.0° | 145.6° |
| N41 | C42 | C46 | C47 | 107.4° | 107.5° |
| N41 | C42 | C43 | O44 | 165.0° | 55.3° |
| N41 | C42 | C43 | H43A | 74.8° | 64.7° |
| N41 | C42 | C43 | H43B | 44.8° | 175.3° |
| N41 | C42 | C46 | H46A | 143.1° | 145.0° |
| N41 | C42 | C46 | H46B | 2.0° | 0.0° |
| N41 | C42 | C47 | H47A | 3.4° | 0.1° |
| N41 | C42 | C47 | H47B | 144.5° | 145.0° |
| C43 | C42 | C46 | C47 | 106.6° | 107.5° |
| C42 | C43 | O44 | H43A | 120.2° | 120.0° |
| C42 | C43 | O44 | H43B | 120.2° | 119.9° |
| C42 | C43 | O44 | C45 | 153.3° | 180.0° |
| C43 | C42 | N41 | H41 | 6.0° | 114.6° |
| C42 | C43 | H43A | H43B | 119.5° | 119.9° |
| C43 | C42 | C46 | H46A | 2.9° | 0.0° |
| C43 | C42 | C46 | H46B | 144.0° | 145.0° |
| C43 | C42 | C47 | H47A | 142.6° | 145.0° |
| C43 | C42 | C47 | H47B | 1.6° | 0.1° |
| C46 | C42 | C43 | O44 | 19.3° | 159.0° |
| C42 | C46 | C47 | H46A | 109.5° | 107.5° |
| C42 | C46 | C47 | H46B | 109.5° | 107.5° |
| C46 | C42 | N41 | H41 | 140.1° | 99.7° |
| C46 | C42 | C43 | H43A | 139.6° | 81.0° |
| C46 | C42 | C43 | H43B | 100.8° | 39.0° |
| C42 | C46 | H46A | H46B | 144.8° | 145.7° |
| C46 | C42 | C47 | H47A | 109.5° | 107.5° |
| C46 | C42 | C47 | H47B | 109.5° | 107.4° |
| C47 | C42 | C43 | O44 | 49.0° | 90.3° |
| C47 | C42 | N41 | H41 | 151.9° | 31.0° |
| C47 | C42 | C43 | H43A | 71.2° | 149.7° |
| C47 | C42 | C43 | H43B | 169.2° | 29.7° |
| C42 | C47 | H47A | H47B | 144.7° | 145.8° |
| O44 | C43 | H43A | H43B | 119.4° | 120.0° |
| C43 | O44 | C45 | H45A | 180.0° | 180.0° |
| C43 | O44 | C45 | H45B | 60.0° | 60.0° |
| C43 | O44 | C45 | H45C | 60.0° | 60.0° |
| C45 | O44 | C43 | H43A | 33.1° | 60.0° |
| C45 | O44 | C43 | H43B | 86.5° | 60.1° |
| O44 | C45 | H45A | H45B | 120.0° | 120.0° |
| O44 | C45 | H45A | H45C | 120.0° | 120.0° |
| O44 | C45 | H45B | H45C | 120.0° | 120.1° |
| C47 | C46 | H46A | H46B | 144.7° | 145.7° |
| C46 | C47 | H47A | H47B | 144.7° | 145.6° |
| H4C | C4 | H4A | H4B | 120.0° | 120.0° |
| H4C | C4 | C2 | H2 | 60.0° | 60.0° |
| H4A | C4 | C2 | H2 | 60.0° | 60.0° |
| H4B | C4 | C2 | H2 | 180.0° | 180.0° |
| H5A | C5 | C6 | H6A | 38.4° | 87.8° |
| H5A | C5 | C6 | H6B | 160.8° | 35.4° |
| H5A | C5 | C3 | H3 | 148.4° | 36.2° |
| H5B | C5 | C6 | H6A | 82.8° | 35.9° |
| H5B | C5 | C6 | H6B | 39.7° | 159.1° |
| H5B | C5 | C3 | H3 | 27.3° | 160.1° |
| H6A | C6 | C7 | H7A | 39.3° | 21.2° |
| H6A | C6 | C7 | H7B | 82.1° | 100.0° |
| H6B | C6 | C7 | H7A | 161.7° | 144.5° |
| H6B | C6 | C7 | H7B | 40.2° | 23.3° |
| H24A | C24 | C25 | H25A | 49.2° | 50.1° |
| H24A | C24 | C25 | H25B | 168.7° | 170.4° |
| H24B | C24 | C25 | H25A | 70.7° | 70.1° |
| H24B | C24 | C25 | H25B | 48.8° | 50.2° |
| H26A | C26 | C25 | H25A | 59.3° | 49.9° |
| H26A | C26 | C25 | H25B | 60.2° | 70.4° |
| H26B | C26 | C25 | H25A | 59.1° | 70.2° |
| H26B | C26 | C25 | H25B | 178.6° | 169.5° |
| H2 | C2 | C3 | H3 | 169.8° | 62.3° |
| H9C | C9 | H9A | H9B | 120.0° | 119.9° |
| H32C | C32 | H32A | H32B | 120.0° | 120.0° |
| H35 | C35 | C36 | H36A | 16.0° | 22.5° |
| H35 | C35 | C36 | H36B | 104.6° | 144.7° |
| H35 | C35 | C38 | H38A | 2.6° | 37.5° |
| H35 | C35 | C38 | H38B | 118.5° | 160.6° |
| H35 | C35 | N39 | H39 | 119.6° | 143.2° |
| H36A | C36 | C37 | H37A | 147.9° | 122.9° |
| H36A | C36 | C37 | H37B | 25.8° | 1.6° |
| H36B | C36 | C37 | H37A | 27.3° | 0.7° |
| H36B | C36 | C37 | H37B | 94.8° | 120.6° |
| H45A | C45 | H45B | H45C | 120.0° | 120.0° |
| H46A | C46 | C47 | H47A | 141.1° | 145.0° |
| H46A | C46 | C47 | H47B | 0.0° | 0.0° |
| H46B | C46 | C47 | H47A | 0.0° | 0.1° |
| H46B | C46 | C47 | H47B | 141.0° | 145.0° |
