5JH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C37 | O15 | sing | 1.43Å | 1.43Å | |
| C47 | C46 | sing | 1.53Å | 1.33Å | |
| O15 | C13 | sing | 1.43Å | 1.43Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C7 | C3 | sing | 1.50Å | 1.51Å | |
| C10 | C8 | doub | 1.33Å | 1.34Å | |
| C10 | C11 | sing | 1.47Å | 1.47Å | |
| C12 | C11 | doub | 1.34Å | 1.34Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C46 | C45 | sing | 1.53Å | 1.50Å | |
| C8 | C9 | sing | 1.50Å | 1.50Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| O42 | C14 | sing | 1.43Å | 1.43Å | |
| C44 | C43 | sing | 1.53Å | 1.53Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| C43 | C40 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | N16 | sing | 1.47Å | 1.45Å | |
| C14 | C20 | sing | 1.53Å | 1.54Å | |
| C40 | C39 | sing | 1.51Å | 1.50Å | |
| N16 | C17 | sing | 1.34Å | 1.31Å | |
| C2 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | O21 | doub | 1.21Å | 1.29Å | |
| C17 | O18 | sing | 1.33Å | 1.38Å | |
| C20 | C19 | sing | 1.52Å | 1.53Å | |
| C39 | O30 | sing | 1.34Å | 1.35Å | |
| C39 | O41 | doub | 1.21Å | 1.23Å | |
| C36 | O34 | sing | 1.43Å | 1.43Å | |
| C1 | O34 | sing | 1.36Å | 1.38Å | |
| C1 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| O30 | C26 | sing | 1.46Å | 1.43Å | |
| C5 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | N31 | sing | 1.41Å | 1.40Å | |
| C19 | O18 | sing | 1.45Å | 1.43Å | |
| C19 | C22 | sing | 1.51Å | 1.55Å | |
| C35 | N31 | sing | 1.46Å | 1.48Å | |
| C6 | CL33 | sing | 1.74Å | 1.76Å | |
| N31 | C28 | sing | 1.38Å | 1.34Å | |
| C38 | C25 | sing | 1.53Å | 1.54Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.52Å | 1.55Å | |
| C28 | C27 | sing | 1.51Å | 1.51Å | |
| C28 | O32 | doub | 1.21Å | 1.24Å | |
| C25 | C23 | sing | 1.52Å | 1.52Å | |
| C25 | O29 | sing | 1.44Å | 1.44Å | |
| C22 | C23 | sing | 1.52Å | 1.52Å | |
| C22 | C24 | sing | 1.52Å | 1.54Å | |
| C23 | O29 | sing | 1.43Å | 1.40Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.11Å | 1.10Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.08Å | 1.10Å | |
| C20 | H14 | sing | 1.12Å | 1.10Å | |
| C22 | H15 | sing | 1.11Å | 1.10Å | |
| C23 | H16 | sing | 1.11Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.10Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.10Å | 1.10Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| C35 | H24 | sing | 1.09Å | 1.10Å | |
| C35 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H26 | sing | 1.09Å | 1.10Å | |
| C36 | H27 | sing | 1.09Å | 1.10Å | |
| C36 | H28 | sing | 1.09Å | 1.10Å | |
| C37 | H29 | sing | 1.09Å | 1.10Å | |
| C37 | H30 | sing | 1.09Å | 1.10Å | |
| C37 | H31 | sing | 1.09Å | 1.10Å | |
| C38 | H32 | sing | 1.09Å | 1.10Å | |
| C38 | H33 | sing | 1.09Å | 1.10Å | |
| C38 | H34 | sing | 1.09Å | 1.10Å | |
| C40 | H35 | sing | 1.09Å | 1.10Å | |
| C40 | H36 | sing | 1.09Å | 1.10Å | |
| C43 | H37 | sing | 1.09Å | 1.10Å | |
| C43 | H38 | sing | 1.09Å | 1.10Å | |
| C44 | H39 | sing | 1.09Å | 1.10Å | |
| C44 | H40 | sing | 1.09Å | 1.10Å | |
| C45 | H41 | sing | 1.09Å | 1.10Å | |
| C45 | H42 | sing | 1.09Å | 1.10Å | |
| C46 | H43 | sing | 1.09Å | 1.10Å | |
| C46 | H44 | sing | 1.09Å | 1.10Å | |
| C47 | H45 | sing | 1.09Å | 1.10Å | |
| C47 | H46 | sing | 1.09Å | 1.10Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| N16 | H48 | sing | 0.96Å | 1.00Å | |
| O42 | H49 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C37 | O15 | C13 | 111.9° | 114.0° |
| O15 | C37 | H29 | 109.5° | 109.5° |
| O15 | C37 | H30 | 109.5° | 109.5° |
| O15 | C37 | H31 | 109.5° | 109.4° |
| C47 | C46 | C45 | 178.4° | 109.5° |
| C47 | C46 | H43 | 90.5° | 109.5° |
| C47 | C46 | H44 | 90.5° | 109.5° |
| C46 | C47 | H45 | 109.5° | 109.5° |
| C46 | C47 | H46 | 109.5° | 109.5° |
| C46 | C47 | H47 | 109.5° | 109.5° |
| O15 | C13 | C12 | 109.6° | 109.6° |
| O15 | C13 | C14 | 110.9° | 109.5° |
| O15 | C13 | H10 | 109.1° | 109.6° |
| C8 | C7 | C3 | 109.8° | 112.6° |
| C7 | C8 | C10 | 121.7° | 118.4° |
| C7 | C8 | C9 | 116.3° | 120.4° |
| C8 | C7 | H3 | 109.4° | 108.7° |
| C8 | C7 | H4 | 109.4° | 108.8° |
| C7 | C3 | C2 | 120.5° | 118.3° |
| C7 | C3 | C4 | 120.5° | 122.4° |
| C3 | C7 | H3 | 109.4° | 109.0° |
| C3 | C7 | H4 | 109.4° | 109.1° |
| C8 | C10 | C11 | 123.1° | 123.7° |
| C10 | C8 | C9 | 122.1° | 121.2° |
| C8 | C10 | H8 | 118.4° | 118.0° |
| C10 | C11 | C12 | 122.0° | 118.5° |
| C10 | C11 | H2 | 119.0° | 122.0° |
| C11 | C10 | H8 | 118.5° | 118.3° |
| C11 | C12 | C13 | 122.8° | 120.7° |
| C12 | C11 | H2 | 119.0° | 119.5° |
| C11 | C12 | H9 | 118.6° | 120.0° |
| C12 | C13 | C14 | 111.4° | 109.4° |
| C13 | C12 | H9 | 118.6° | 119.2° |
| C12 | C13 | H10 | 108.1° | 109.5° |
| C46 | C45 | C44 | 111.0° | 109.4° |
| C46 | C45 | H41 | 109.1° | 109.5° |
| C46 | C45 | H42 | 109.1° | 109.5° |
| C45 | C46 | H43 | 90.5° | 109.5° |
| C45 | C46 | H44 | 90.4° | 109.5° |
| C8 | C9 | H5 | 109.5° | 109.5° |
| C8 | C9 | H6 | 109.4° | 109.5° |
| C8 | C9 | H7 | 109.5° | 109.5° |
| C13 | C14 | O42 | 110.0° | 108.9° |
| C13 | C14 | N16 | 107.7° | 111.1° |
| C13 | C14 | C20 | 111.9° | 109.7° |
| C14 | C13 | H10 | 107.5° | 109.3° |
| O42 | C14 | N16 | 107.7° | 108.3° |
| O42 | C14 | C20 | 109.0° | 110.4° |
| C14 | O42 | H49 | 109.5° | 114.0° |
| C43 | C44 | C45 | 108.8° | 109.4° |
| C44 | C43 | C40 | 109.8° | 109.4° |
| C44 | C43 | H37 | 109.4° | 109.5° |
| C44 | C43 | H38 | 109.4° | 109.5° |
| C43 | C44 | H39 | 109.6° | 109.5° |
| C43 | C44 | H40 | 109.6° | 109.5° |
| C45 | C44 | H39 | 109.7° | 109.4° |
| C45 | C44 | H40 | 109.6° | 109.5° |
| C44 | C45 | H41 | 109.1° | 109.4° |
| C44 | C45 | H42 | 109.1° | 109.5° |
| C43 | C40 | C39 | 110.2° | 109.5° |
| C43 | C40 | H35 | 109.3° | 109.5° |
| C43 | C40 | H36 | 109.3° | 109.5° |
| C40 | C43 | H37 | 109.4° | 109.4° |
| C40 | C43 | H38 | 109.4° | 109.5° |
| C2 | C3 | C4 | 119.1° | 119.3° |
| C3 | C2 | C1 | 119.9° | 120.2° |
| C3 | C2 | H12 | 120.0° | 119.8° |
| C3 | C4 | C5 | 121.5° | 121.2° |
| C3 | C4 | H1 | 119.3° | 119.4° |
| N16 | C14 | C20 | 110.5° | 108.3° |
| C14 | N16 | C17 | 123.9° | 118.4° |
| C14 | N16 | H48 | 118.0° | 120.6° |
| C14 | C20 | C19 | 109.8° | 112.3° |
| C14 | C20 | H13 | 109.4° | 111.7° |
| C14 | C20 | H14 | 109.4° | 106.6° |
| C40 | C39 | O30 | 116.9° | 120.0° |
| C40 | C39 | O41 | 123.2° | 120.0° |
| C39 | C40 | H35 | 109.3° | 109.5° |
| C39 | C40 | H36 | 109.3° | 109.4° |
| N16 | C17 | O21 | 125.4° | 117.6° |
| N16 | C17 | O18 | 120.4° | 123.8° |
| C17 | N16 | H48 | 118.1° | 121.0° |
| C2 | C1 | O34 | 120.3° | 120.1° |
| C2 | C1 | C6 | 121.5° | 120.1° |
| C1 | C2 | H12 | 120.1° | 120.1° |
| C4 | C5 | C6 | 119.7° | 119.1° |
| C4 | C5 | N31 | 115.3° | 122.2° |
| C5 | C4 | H1 | 119.2° | 119.4° |
| O21 | C17 | O18 | 114.2° | 118.6° |
| C17 | O18 | C19 | 120.7° | 122.6° |
| C20 | C19 | O18 | 109.7° | 111.9° |
| C20 | C19 | C22 | 113.6° | 114.1° |
| C20 | C19 | H11 | 107.7° | 107.1° |
| C19 | C20 | H13 | 109.4° | 113.9° |
| C19 | C20 | H14 | 109.4° | 107.2° |
| O30 | C39 | O41 | 119.9° | 120.0° |
| C39 | O30 | C26 | 115.3° | 117.0° |
| C36 | O34 | C1 | 115.9° | 117.0° |
| O34 | C36 | H26 | 109.5° | 109.5° |
| O34 | C36 | H27 | 109.5° | 109.5° |
| O34 | C36 | H28 | 109.5° | 109.5° |
| O34 | C1 | C6 | 118.2° | 119.8° |
| C1 | C6 | C5 | 118.4° | 120.0° |
| C1 | C6 | CL33 | 119.3° | 119.0° |
| O30 | C26 | C25 | 111.4° | 109.4° |
| O30 | C26 | C27 | 112.4° | 109.2° |
| O30 | C26 | H20 | 107.7° | 107.9° |
| C6 | C5 | N31 | 125.1° | 118.7° |
| C5 | C6 | CL33 | 122.3° | 121.0° |
| C5 | N31 | C35 | 115.7° | 123.7° |
| C5 | N31 | C28 | 125.7° | 115.4° |
| O18 | C19 | C22 | 109.1° | 109.1° |
| O18 | C19 | H11 | 109.1° | 105.4° |
| C19 | C22 | C23 | 114.3° | 114.0° |
| C19 | C22 | C24 | 110.1° | 114.5° |
| C22 | C19 | H11 | 107.5° | 108.8° |
| C19 | C22 | H15 | 107.5° | 106.5° |
| C35 | N31 | C28 | 118.6° | 120.9° |
| N31 | C35 | H23 | 109.5° | 109.5° |
| N31 | C35 | H24 | 109.5° | 109.4° |
| N31 | C35 | H25 | 109.5° | 109.5° |
| N31 | C28 | C27 | 116.4° | 117.9° |
| N31 | C28 | O32 | 121.8° | 120.0° |
| C38 | C25 | C26 | 116.6° | 116.4° |
| C38 | C25 | C23 | 118.4° | 120.9° |
| C38 | C25 | O29 | 118.1° | 115.1° |
| C25 | C38 | H32 | 109.5° | 109.5° |
| C25 | C38 | H33 | 109.4° | 109.5° |
| C25 | C38 | H34 | 109.5° | 109.5° |
| C25 | C26 | C27 | 112.0° | 113.5° |
| C26 | C25 | C23 | 117.8° | 115.9° |
| C26 | C25 | O29 | 115.9° | 118.1° |
| C25 | C26 | H20 | 106.6° | 108.1° |
| C26 | C27 | C28 | 110.5° | 112.8° |
| C27 | C26 | H20 | 106.3° | 108.5° |
| C26 | C27 | H21 | 109.2° | 110.6° |
| C26 | C27 | H22 | 109.2° | 107.2° |
| C27 | C28 | O32 | 121.7° | 122.1° |
| C28 | C27 | H21 | 109.2° | 110.6° |
| C28 | C27 | H22 | 109.2° | 108.2° |
| C23 | C25 | O29 | 56.4° | 57.6° |
| C25 | C23 | C22 | 121.2° | 121.1° |
| C25 | C23 | O29 | 58.9° | 58.2° |
| C25 | C23 | H16 | 115.6° | 116.3° |
| C25 | O29 | C23 | 64.6° | 64.3° |
| C23 | C22 | C24 | 109.4° | 109.0° |
| C22 | C23 | O29 | 115.9° | 121.7° |
| C23 | C22 | H15 | 107.8° | 106.0° |
| C22 | C23 | H16 | 115.5° | 112.9° |
| C24 | C22 | H15 | 107.6° | 106.2° |
| C22 | C24 | H17 | 109.5° | 109.5° |
| C22 | C24 | H18 | 109.5° | 109.5° |
| C22 | C24 | H19 | 109.5° | 109.5° |
| O29 | C23 | H16 | 117.9° | 116.3° |
| H3 | C7 | H4 | 109.5° | 108.7° |
| H5 | C9 | H6 | 109.4° | 109.5° |
| H5 | C9 | H7 | 109.5° | 109.4° |
| H6 | C9 | H7 | 109.5° | 109.4° |
| H13 | C20 | H14 | 109.5° | 104.4° |
| H17 | C24 | H18 | 109.5° | 109.4° |
| H17 | C24 | H19 | 109.5° | 109.5° |
| H18 | C24 | H19 | 109.5° | 109.5° |
| H21 | C27 | H22 | 109.5° | 107.1° |
| H23 | C35 | H24 | 109.5° | 109.5° |
| H23 | C35 | H25 | 109.5° | 109.5° |
| H24 | C35 | H25 | 109.5° | 109.4° |
| H26 | C36 | H27 | 109.5° | 109.5° |
| H26 | C36 | H28 | 109.4° | 109.5° |
| H27 | C36 | H28 | 109.5° | 109.4° |
| H29 | C37 | H30 | 109.4° | 109.5° |
| H29 | C37 | H31 | 109.4° | 109.5° |
| H30 | C37 | H31 | 109.5° | 109.5° |
| H32 | C38 | H33 | 109.5° | 109.5° |
| H32 | C38 | H34 | 109.5° | 109.5° |
| H33 | C38 | H34 | 109.5° | 109.4° |
| H35 | C40 | H36 | 109.5° | 109.4° |
| H37 | C43 | H38 | 109.5° | 109.5° |
| H39 | C44 | H40 | 109.5° | 109.4° |
| H41 | C45 | H42 | 109.4° | 109.5° |
| H43 | C46 | H44 | 109.5° | 109.4° |
| H45 | C47 | H46 | 109.4° | 109.5° |
| H45 | C47 | H47 | 109.5° | 109.4° |
| H46 | C47 | H47 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | O15 | C13 | C12 | 36.7° | 90.0° |
| C37 | O15 | C13 | C14 | 86.8° | 150.1° |
| C37 | O15 | C13 | H10 | 154.9° | 30.2° |
| O15 | C37 | H29 | H30 | 120.0° | 120.0° |
| O15 | C37 | H29 | H31 | 120.0° | 119.9° |
| O15 | C37 | H30 | H31 | 120.0° | 120.0° |
| C47 | C46 | C45 | H43 | 125.3° | 120.0° |
| C47 | C46 | C45 | H44 | 125.3° | 120.0° |
| C47 | C46 | C45 | C44 | 133.6° | 180.0° |
| C47 | C46 | C45 | H41 | 106.1° | 60.0° |
| C47 | C46 | C45 | H42 | 13.4° | 60.0° |
| C47 | C46 | H43 | H44 | 90.7° | 119.9° |
| C46 | C47 | H45 | H46 | 120.0° | 120.1° |
| C46 | C47 | H45 | H47 | 120.0° | 120.0° |
| C46 | C47 | H46 | H47 | 120.0° | 120.0° |
| O15 | C13 | C12 | C11 | 119.3° | 53.9° |
| O15 | C13 | C12 | C14 | 123.2° | 120.1° |
| O15 | C13 | C12 | H10 | 118.8° | 120.3° |
| O15 | C13 | C14 | H10 | 119.2° | 120.0° |
| O15 | C13 | C14 | O42 | 64.3° | 40.7° |
| O15 | C13 | C14 | N16 | 52.9° | 78.5° |
| O15 | C13 | C14 | C20 | 174.5° | 161.7° |
| O15 | C13 | C12 | H9 | 60.7° | 126.1° |
| C13 | O15 | C37 | H29 | 180.0° | 60.1° |
| C13 | O15 | C37 | H30 | 60.0° | 60.0° |
| C13 | O15 | C37 | H31 | 60.0° | 180.0° |
| C8 | C7 | C3 | H3 | 120.0° | 120.6° |
| C8 | C7 | C3 | H4 | 120.0° | 120.9° |
| C7 | C8 | C10 | C9 | 179.6° | 179.9° |
| C7 | C8 | C10 | C11 | 179.7° | 179.4° |
| C8 | C7 | C3 | C2 | 107.6° | 126.5° |
| C8 | C7 | C3 | C4 | 72.1° | 53.7° |
| C8 | C7 | H3 | H4 | 119.8° | 118.3° |
| C7 | C8 | C9 | H5 | 180.0° | 89.9° |
| C7 | C8 | C9 | H6 | 60.0° | 150.0° |
| C7 | C8 | C9 | H7 | 60.0° | 30.1° |
| C7 | C8 | C10 | H8 | 0.3° | 0.6° |
| C3 | C7 | C8 | C10 | 111.3° | 121.6° |
| C3 | C7 | C8 | C9 | 68.3° | 58.5° |
| C7 | C3 | C2 | C4 | 179.7° | 179.7° |
| C7 | C3 | C2 | C1 | 179.8° | 179.8° |
| C7 | C3 | C4 | C5 | 179.7° | 178.0° |
| C7 | C3 | C4 | H1 | 0.3° | 1.1° |
| C3 | C7 | H3 | H4 | 119.9° | 118.7° |
| C7 | C3 | C2 | H12 | 0.2° | 0.1° |
| C8 | C10 | C11 | H8 | 180.0° | 179.9° |
| C8 | C10 | C11 | C12 | 179.9° | 171.3° |
| C8 | C10 | C11 | H2 | 0.1° | 7.8° |
| C10 | C8 | C7 | H3 | 8.7° | 117.6° |
| C10 | C8 | C7 | H4 | 128.6° | 0.6° |
| C10 | C8 | C9 | H5 | 0.3° | 90.2° |
| C10 | C8 | C9 | H6 | 119.7° | 29.9° |
| C10 | C8 | C9 | H7 | 120.3° | 149.8° |
| C10 | C11 | C12 | H2 | 180.0° | 179.1° |
| C10 | C11 | C12 | C13 | 179.8° | 178.5° |
| C11 | C10 | C8 | C9 | 0.1° | 0.5° |
| C10 | C11 | C12 | H9 | 0.2° | 1.5° |
| C11 | C12 | C13 | H9 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 117.5° | 66.1° |
| C12 | C11 | C10 | H8 | 0.1° | 8.8° |
| C11 | C12 | C13 | H10 | 0.5° | 174.2° |
| C12 | C13 | C14 | H10 | 118.3° | 119.8° |
| C12 | C13 | C14 | O42 | 58.2° | 79.4° |
| C12 | C13 | C14 | N16 | 175.3° | 161.3° |
| C12 | C13 | C14 | C20 | 63.1° | 41.6° |
| C13 | C12 | C11 | H2 | 0.2° | 0.7° |
| C46 | C45 | C44 | C43 | 58.3° | 180.0° |
| C46 | C45 | C44 | H41 | 120.2° | 120.0° |
| C46 | C45 | C44 | H42 | 120.2° | 120.0° |
| C46 | C45 | C44 | H39 | 178.2° | 60.0° |
| C46 | C45 | C44 | H40 | 61.5° | 60.0° |
| C46 | C45 | H41 | H42 | 119.3° | 120.0° |
| C45 | C46 | H43 | H44 | 90.6° | 120.0° |
| C45 | C46 | C47 | H45 | 180.0° | 60.0° |
| C45 | C46 | C47 | H46 | 60.0° | 180.0° |
| C45 | C46 | C47 | H47 | 60.0° | 60.0° |
| C9 | C8 | C7 | H3 | 171.6° | 62.3° |
| C9 | C8 | C7 | H4 | 51.7° | 179.6° |
| C8 | C9 | H5 | H6 | 120.0° | 120.1° |
| C8 | C9 | H5 | H7 | 120.0° | 120.0° |
| C8 | C9 | H6 | H7 | 120.0° | 120.0° |
| C9 | C8 | C10 | H8 | 179.9° | 179.5° |
| C13 | C14 | O42 | N16 | 117.1° | 121.0° |
| C13 | C14 | O42 | C20 | 123.0° | 120.5° |
| C13 | C14 | N16 | C20 | 122.5° | 120.6° |
| C13 | C14 | N16 | C17 | 94.3° | 160.8° |
| C13 | C14 | C20 | C19 | 72.8° | 176.0° |
| C14 | C13 | C12 | H9 | 62.5° | 113.9° |
| C13 | C14 | C20 | H13 | 167.1° | 54.6° |
| C13 | C14 | C20 | H14 | 47.2° | 58.9° |
| C13 | C14 | N16 | H48 | 85.7° | 19.4° |
| C13 | C14 | O42 | H49 | 180.0° | 61.0° |
| O42 | C14 | N16 | C20 | 118.9° | 119.8° |
| O42 | C14 | N16 | C17 | 147.1° | 79.5° |
| O42 | C14 | C20 | C19 | 165.3° | 63.9° |
| O42 | C14 | C13 | H10 | 176.5° | 160.8° |
| O42 | C14 | C20 | H13 | 45.3° | 65.5° |
| O42 | C14 | C20 | H14 | 74.6° | 178.9° |
| O42 | C14 | N16 | H48 | 32.9° | 100.2° |
| C43 | C44 | C45 | H39 | 119.9° | 120.0° |
| C43 | C44 | C45 | H40 | 119.9° | 120.0° |
| C44 | C43 | C40 | H37 | 120.1° | 120.0° |
| C44 | C43 | C40 | H38 | 120.0° | 120.0° |
| C44 | C43 | C40 | C39 | 115.3° | 180.0° |
| C44 | C43 | C40 | H35 | 124.6° | 60.0° |
| C44 | C43 | C40 | H36 | 4.8° | 60.0° |
| C44 | C43 | H37 | H38 | 119.9° | 120.0° |
| C43 | C44 | H39 | H40 | 120.3° | 120.1° |
| C43 | C44 | C45 | H41 | 178.5° | 60.0° |
| C43 | C44 | C45 | H42 | 61.9° | 60.0° |
| C45 | C44 | C43 | C40 | 167.1° | 180.0° |
| C45 | C44 | C43 | H37 | 47.1° | 60.0° |
| C45 | C44 | C43 | H38 | 72.8° | 60.0° |
| C45 | C44 | H39 | H40 | 120.3° | 120.0° |
| C44 | C45 | H41 | H42 | 119.3° | 120.0° |
| C44 | C45 | C46 | H43 | 8.4° | 60.0° |
| C44 | C45 | C46 | H44 | 101.1° | 60.0° |
| C43 | C40 | C39 | H35 | 120.1° | 120.1° |
| C43 | C40 | C39 | H36 | 120.1° | 120.1° |
| C43 | C40 | C39 | O30 | 44.5° | 180.0° |
| C43 | C40 | C39 | O41 | 135.3° | 0.0° |
| C43 | C40 | H35 | H36 | 119.7° | 120.0° |
| C40 | C43 | H37 | H38 | 119.8° | 120.0° |
| C40 | C43 | C44 | H39 | 47.2° | 60.0° |
| C40 | C43 | C44 | H40 | 73.0° | 60.0° |
| C3 | C2 | C1 | H12 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 1.7° |
| C3 | C2 | C1 | O34 | 179.9° | 179.5° |
| C3 | C2 | C1 | C6 | 0.0° | 0.6° |
| C2 | C3 | C4 | H1 | 180.0° | 179.2° |
| C2 | C3 | C7 | H3 | 132.4° | 5.9° |
| C2 | C3 | C7 | H4 | 12.5° | 112.6° |
| C4 | C3 | C2 | C1 | 0.1° | 0.0° |
| C3 | C4 | C5 | H1 | 180.0° | 179.1° |
| C3 | C4 | C5 | C6 | 0.2° | 2.8° |
| C3 | C4 | C5 | N31 | 179.7° | 177.1° |
| C4 | C3 | C7 | H3 | 47.9° | 174.4° |
| C4 | C3 | C7 | H4 | 167.8° | 67.2° |
| C4 | C3 | C2 | H12 | 179.9° | 179.8° |
| C14 | N16 | C17 | H48 | 180.0° | 179.8° |
| C14 | N16 | C17 | O21 | 167.1° | 171.8° |
| C14 | N16 | C17 | O18 | 12.9° | 7.5° |
| N16 | C14 | C20 | C19 | 47.1° | 54.5° |
| N16 | C14 | C13 | H10 | 66.3° | 41.5° |
| N16 | C14 | C20 | H13 | 72.9° | 176.0° |
| N16 | C14 | C20 | H14 | 167.2° | 62.6° |
| N16 | C14 | O42 | H49 | 62.9° | 60.1° |
| C20 | C14 | N16 | C17 | 28.2° | 40.3° |
| C14 | C20 | C19 | H13 | 120.0° | 128.2° |
| C14 | C20 | C19 | H14 | 120.0° | 116.7° |
| C14 | C20 | C19 | O18 | 53.2° | 37.4° |
| C14 | C20 | C19 | C22 | 175.6° | 87.2° |
| C20 | C14 | C13 | H10 | 55.3° | 78.2° |
| C14 | C20 | C19 | H11 | 65.4° | 152.4° |
| C14 | C20 | H13 | H14 | 119.8° | 114.8° |
| C20 | C14 | N16 | H48 | 151.8° | 140.0° |
| C20 | C14 | O42 | H49 | 57.1° | 178.5° |
| C40 | C39 | O30 | O41 | 179.8° | 179.9° |
| C40 | C39 | O30 | C26 | 161.7° | 180.0° |
| C39 | C40 | H35 | H36 | 119.7° | 119.9° |
| C39 | C40 | C43 | H37 | 4.8° | 60.0° |
| C39 | C40 | C43 | H38 | 124.7° | 60.0° |
| N16 | C17 | O21 | O18 | 180.0° | 179.4° |
| N16 | C17 | O18 | C19 | 19.4° | 12.9° |
| C2 | C1 | O34 | C36 | 88.3° | 0.1° |
| C2 | C1 | O34 | C6 | 179.9° | 179.9° |
| C2 | C1 | C6 | C5 | 0.2° | 0.6° |
| C2 | C1 | C6 | CL33 | 180.0° | 179.6° |
| C4 | C5 | C6 | C1 | 0.3° | 2.2° |
| C4 | C5 | C6 | N31 | 179.5° | 180.0° |
| C4 | C5 | N31 | C35 | 97.2° | 126.5° |
| C4 | C5 | C6 | CL33 | 179.9° | 177.9° |
| C4 | C5 | N31 | C28 | 83.4° | 54.6° |
| O21 | C17 | O18 | C19 | 160.6° | 167.8° |
| O21 | C17 | N16 | H48 | 12.9° | 8.0° |
| C17 | O18 | C19 | C20 | 40.1° | 3.8° |
| C17 | O18 | C19 | C22 | 165.2° | 123.4° |
| C17 | O18 | C19 | H11 | 77.7° | 119.9° |
| O18 | C17 | N16 | H48 | 167.1° | 172.7° |
| C20 | C19 | O18 | C22 | 125.0° | 127.3° |
| C20 | C19 | O18 | H11 | 117.8° | 116.1° |
| C20 | C19 | C22 | H11 | 119.1° | 119.5° |
| C20 | C19 | C22 | C23 | 15.0° | 130.4° |
| C20 | C19 | C22 | C24 | 108.5° | 3.9° |
| C19 | C20 | H13 | H14 | 119.9° | 116.7° |
| C20 | C19 | C22 | H15 | 134.6° | 113.2° |
| C39 | O30 | C26 | C25 | 96.0° | 150.0° |
| C39 | O30 | C26 | C27 | 137.3° | 85.2° |
| C39 | O30 | C26 | H20 | 20.5° | 32.6° |
| O30 | C39 | C40 | H35 | 75.6° | 59.9° |
| O30 | C39 | C40 | H36 | 164.6° | 60.0° |
| O41 | C39 | O30 | C26 | 18.1° | 0.0° |
| O41 | C39 | C40 | H35 | 104.6° | 120.0° |
| O41 | C39 | C40 | H36 | 15.2° | 120.1° |
| C36 | O34 | C1 | C6 | 91.6° | 180.0° |
| O34 | C36 | H26 | H27 | 120.0° | 120.0° |
| O34 | C36 | H26 | H28 | 120.0° | 120.0° |
| O34 | C36 | H27 | H28 | 120.0° | 120.0° |
| O34 | C1 | C6 | C5 | 179.9° | 179.3° |
| O34 | C1 | C6 | CL33 | 0.1° | 0.5° |
| O34 | C1 | C2 | H12 | 0.2° | 0.6° |
| C1 | O34 | C36 | H26 | 180.0° | 60.0° |
| C1 | O34 | C36 | H27 | 60.0° | 60.0° |
| C1 | O34 | C36 | H28 | 60.0° | 180.0° |
| C1 | C6 | C5 | CL33 | 179.8° | 179.9° |
| C1 | C6 | C5 | N31 | 179.8° | 177.7° |
| C6 | C1 | C2 | H12 | 180.0° | 179.3° |
| O30 | C26 | C25 | C38 | 64.1° | 129.9° |
| O30 | C26 | C25 | C27 | 126.9° | 122.3° |
| O30 | C26 | C25 | H20 | 117.2° | 117.2° |
| O30 | C26 | C27 | H20 | 117.6° | 117.4° |
| O30 | C26 | C27 | C28 | 57.8° | 52.3° |
| O30 | C26 | C25 | C23 | 85.9° | 21.4° |
| O30 | C26 | C25 | O29 | 149.8° | 86.8° |
| O30 | C26 | C27 | H21 | 62.4° | 176.8° |
| O30 | C26 | C27 | H22 | 178.0° | 66.8° |
| C6 | C5 | N31 | C35 | 82.3° | 53.5° |
| C6 | C5 | N31 | C28 | 97.1° | 125.4° |
| C6 | C5 | C4 | H1 | 179.8° | 178.1° |
| C5 | N31 | C35 | C28 | 179.4° | 178.8° |
| N31 | C5 | C6 | CL33 | 0.4° | 2.2° |
| C5 | N31 | C28 | C27 | 0.5° | 171.7° |
| C5 | N31 | C28 | O32 | 179.9° | 9.0° |
| N31 | C5 | C4 | H1 | 0.3° | 1.9° |
| C5 | N31 | C35 | H23 | 180.0° | 90.0° |
| C5 | N31 | C35 | H24 | 60.0° | 150.0° |
| C5 | N31 | C35 | H25 | 60.0° | 30.0° |
| O18 | C19 | C22 | H11 | 118.2° | 114.5° |
| O18 | C19 | C22 | C23 | 137.8° | 103.6° |
| O18 | C19 | C22 | C24 | 14.2° | 129.9° |
| O18 | C19 | C20 | H13 | 66.8° | 165.6° |
| O18 | C19 | C20 | H14 | 173.2° | 79.3° |
| O18 | C19 | C22 | H15 | 102.7° | 12.8° |
| C19 | C22 | C23 | C25 | 85.3° | 65.8° |
| C19 | C22 | C23 | C24 | 124.0° | 129.3° |
| C19 | C22 | C23 | H15 | 119.4° | 116.7° |
| C19 | C22 | C24 | H15 | 116.8° | 117.2° |
| C19 | C22 | C23 | O29 | 153.2° | 3.6° |
| C22 | C19 | C20 | H13 | 55.5° | 41.1° |
| C22 | C19 | C20 | H14 | 64.4° | 156.1° |
| C19 | C22 | C23 | H16 | 62.7° | 149.4° |
| C19 | C22 | C24 | H17 | 180.0° | 51.6° |
| C19 | C22 | C24 | H18 | 60.0° | 171.5° |
| C19 | C22 | C24 | H19 | 60.0° | 68.5° |
| C35 | N31 | C28 | C27 | 179.9° | 9.4° |
| C35 | N31 | C28 | O32 | 0.5° | 169.9° |
| N31 | C35 | H23 | H24 | 120.0° | 120.0° |
| N31 | C35 | H23 | H25 | 120.0° | 120.0° |
| N31 | C35 | H24 | H25 | 120.0° | 120.0° |
| N31 | C28 | C27 | C26 | 120.2° | 176.2° |
| N31 | C28 | C27 | O32 | 179.6° | 179.3° |
| N31 | C28 | C27 | H21 | 0.0° | 59.2° |
| N31 | C28 | C27 | H22 | 119.6° | 57.8° |
| C28 | N31 | C35 | H23 | 0.6° | 91.2° |
| C28 | N31 | C35 | H24 | 120.6° | 28.9° |
| C28 | N31 | C35 | H25 | 119.4° | 148.8° |
| C38 | C25 | C26 | C23 | 149.9° | 151.4° |
| C38 | C25 | C26 | O29 | 146.1° | 143.3° |
| C38 | C25 | C26 | C27 | 62.8° | 7.7° |
| C38 | C25 | C23 | O29 | 106.5° | 101.8° |
| C38 | C25 | C23 | C22 | 3.1° | 8.6° |
| C38 | C25 | C23 | H16 | 144.9° | 152.2° |
| C38 | C25 | C26 | H20 | 178.7° | 112.8° |
| C25 | C38 | H32 | H33 | 120.0° | 120.0° |
| C25 | C38 | H32 | H34 | 120.0° | 120.0° |
| C25 | C38 | H33 | H34 | 120.0° | 120.0° |
| C25 | C26 | C27 | H20 | 116.1° | 120.3° |
| C25 | C26 | C27 | C28 | 175.9° | 70.0° |
| C26 | C25 | C23 | O29 | 104.1° | 108.2° |
| C26 | C25 | C23 | C22 | 152.5° | 141.4° |
| C26 | C25 | C23 | H16 | 4.5° | 2.2° |
| C25 | C26 | C27 | H21 | 64.0° | 54.5° |
| C25 | C26 | C27 | H22 | 55.7° | 170.9° |
| C26 | C25 | C38 | H32 | 180.0° | 150.1° |
| C26 | C25 | C38 | H33 | 60.0° | 30.1° |
| C26 | C25 | C38 | H34 | 60.0° | 89.8° |
| C26 | C27 | C28 | H21 | 120.1° | 124.5° |
| C26 | C27 | C28 | H22 | 120.2° | 118.4° |
| C26 | C27 | C28 | O32 | 59.4° | 3.1° |
| C27 | C26 | C25 | C23 | 147.3° | 143.7° |
| C27 | C26 | C25 | O29 | 83.3° | 151.0° |
| C26 | C27 | H21 | H22 | 119.5° | 116.5° |
| C28 | C27 | C26 | H20 | 59.8° | 169.7° |
| C28 | C27 | H21 | H22 | 119.5° | 117.7° |
| O32 | C28 | C27 | H21 | 179.6° | 121.5° |
| O32 | C28 | C27 | H22 | 60.8° | 121.5° |
| C25 | C23 | C22 | O29 | 67.9° | 69.4° |
| C25 | C23 | C22 | H16 | 148.1° | 144.7° |
| C25 | C23 | C22 | C24 | 150.7° | 63.5° |
| C25 | C23 | O29 | H16 | 104.6° | 106.0° |
| C25 | C23 | C22 | H15 | 34.0° | 177.4° |
| C23 | C25 | C26 | H20 | 31.4° | 95.8° |
| C23 | C25 | C38 | H32 | 30.3° | 60.0° |
| C23 | C25 | C38 | H33 | 150.2° | 180.0° |
| C23 | C25 | C38 | H34 | 89.8° | 60.0° |
| O29 | C25 | C26 | H20 | 32.6° | 30.4° |
| O29 | C25 | C38 | H32 | 34.7° | 5.8° |
| O29 | C25 | C38 | H33 | 85.3° | 114.2° |
| O29 | C25 | C38 | H34 | 154.7° | 125.8° |
| C23 | C22 | C24 | H15 | 116.8° | 113.8° |
| C22 | C23 | O29 | H16 | 143.1° | 144.7° |
| C23 | C22 | C19 | H11 | 104.1° | 10.8° |
| C23 | C22 | C24 | H17 | 53.6° | 77.5° |
| C23 | C22 | C24 | H18 | 173.6° | 42.5° |
| C23 | C22 | C24 | H19 | 66.4° | 162.5° |
| C24 | C22 | C23 | O29 | 82.8° | 132.9° |
| C24 | C22 | C19 | H11 | 132.4° | 115.7° |
| C24 | C22 | C23 | H16 | 61.2° | 81.3° |
| C22 | C24 | H17 | H18 | 120.0° | 120.0° |
| C22 | C24 | H17 | H19 | 120.0° | 120.1° |
| C22 | C24 | H18 | H19 | 120.0° | 120.1° |
| O29 | C23 | C22 | H15 | 33.9° | 113.1° |
| H2 | C11 | C10 | H8 | 179.9° | 172.1° |
| H2 | C11 | C12 | H9 | 179.8° | 179.4° |
| H5 | C9 | H6 | H7 | 120.0° | 119.9° |
| H9 | C12 | C13 | H10 | 179.5° | 5.8° |
| H11 | C19 | C20 | H13 | 174.5° | 79.4° |
| H11 | C19 | C20 | H14 | 54.6° | 35.7° |
| H11 | C19 | C22 | H15 | 15.5° | 127.3° |
| H15 | C22 | C23 | H16 | 177.9° | 32.7° |
| H15 | C22 | C24 | H17 | 63.2° | 168.7° |
| H15 | C22 | C24 | H18 | 56.8° | 71.3° |
| H15 | C22 | C24 | H19 | 176.8° | 48.7° |
| H17 | C24 | H18 | H19 | 120.0° | 119.9° |
| H20 | C26 | C27 | H21 | 179.9° | 65.8° |
| H20 | C26 | C27 | H22 | 60.4° | 50.6° |
| H23 | C35 | H24 | H25 | 120.0° | 120.0° |
| H26 | C36 | H27 | H28 | 120.0° | 120.0° |
| H29 | C37 | H30 | H31 | 120.0° | 120.0° |
| H32 | C38 | H33 | H34 | 120.0° | 120.0° |
| H35 | C40 | C43 | H37 | 115.3° | 179.9° |
| H35 | C40 | C43 | H38 | 4.6° | 60.0° |
| H36 | C40 | C43 | H37 | 124.9° | 60.0° |
| H36 | C40 | C43 | H38 | 115.2° | 180.0° |
| H37 | C43 | C44 | H39 | 72.8° | 180.0° |
| H37 | C43 | C44 | H40 | 167.0° | 60.0° |
| H38 | C43 | C44 | H39 | 167.3° | 60.0° |
| H38 | C43 | C44 | H40 | 47.0° | 180.0° |
| H39 | C44 | C45 | H41 | 61.6° | 180.0° |
| H39 | C44 | C45 | H42 | 58.0° | 60.0° |
| H40 | C44 | C45 | H41 | 58.7° | 60.0° |
| H40 | C44 | C45 | H42 | 178.2° | 180.0° |
| H41 | C45 | C46 | H43 | 128.6° | 179.9° |
| H41 | C45 | C46 | H44 | 19.2° | 60.0° |
| H42 | C45 | C46 | H43 | 111.9° | 60.0° |
| H42 | C45 | C46 | H44 | 138.7° | 180.0° |
| H43 | C46 | C47 | H45 | 54.7° | 60.1° |
| H43 | C46 | C47 | H46 | 65.3° | 60.0° |
| H43 | C46 | C47 | H47 | 174.7° | 180.0° |
| H44 | C46 | C47 | H45 | 54.8° | 180.0° |
| H44 | C46 | C47 | H46 | 174.8° | 59.9° |
| H44 | C46 | C47 | H47 | 65.2° | 60.1° |
| H45 | C47 | H46 | H47 | 120.0° | 119.9° |
