5IX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C37 | O15 | sing | 1.43Å | 1.43Å | |
| C45 | C44 | doub | 1.38Å | 1.39Å | Aromatic |
| C45 | C46 | sing | 1.38Å | 1.40Å | Aromatic |
| C44 | C43 | sing | 1.38Å | 1.39Å | Aromatic |
| O15 | C13 | sing | 1.43Å | 1.43Å | |
| C46 | C47 | doub | 1.38Å | 1.39Å | Aromatic |
| C43 | C42 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.50Å | 1.51Å | |
| C12 | C11 | doub | 1.33Å | 1.34Å | |
| C10 | C11 | sing | 1.47Å | 1.47Å | |
| C10 | C8 | doub | 1.33Å | 1.34Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C7 | C8 | sing | 1.50Å | 1.51Å | |
| C7 | C3 | sing | 1.50Å | 1.51Å | |
| C47 | C42 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C42 | C40 | sing | 1.51Å | 1.50Å | |
| O48 | C14 | sing | 1.43Å | 1.43Å | |
| C14 | N16 | sing | 1.46Å | 1.48Å | |
| C14 | C20 | sing | 1.53Å | 1.54Å | |
| C40 | C39 | sing | 1.51Å | 1.50Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| N16 | C17 | sing | 1.34Å | 1.39Å | |
| C2 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C17 | O21 | doub | 1.21Å | 1.24Å | |
| C17 | O18 | sing | 1.34Å | 1.36Å | |
| C39 | O30 | sing | 1.34Å | 1.35Å | |
| C39 | O41 | doub | 1.21Å | 1.23Å | |
| C1 | O34 | sing | 1.36Å | 1.38Å | |
| C1 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| O30 | C26 | sing | 1.45Å | 1.43Å | |
| C36 | O34 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | N31 | sing | 1.41Å | 1.40Å | |
| C35 | N31 | sing | 1.47Å | 1.48Å | |
| C6 | CL33 | sing | 1.74Å | 1.76Å | |
| O18 | C19 | sing | 1.45Å | 1.43Å | |
| N31 | C28 | sing | 1.37Å | 1.34Å | |
| C19 | C22 | sing | 1.53Å | 1.55Å | |
| C38 | C25 | sing | 1.53Å | 1.54Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.53Å | 1.55Å | |
| C28 | C27 | sing | 1.51Å | 1.51Å | |
| C28 | O32 | doub | 1.21Å | 1.24Å | |
| C25 | C23 | sing | 1.52Å | 1.51Å | |
| C25 | O29 | sing | 1.42Å | 1.44Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | C24 | sing | 1.53Å | 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 | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 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 | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 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 | 1.08Å | 1.08Å | |
| C44 | H38 | sing | 1.08Å | 1.08Å | |
| C45 | H39 | sing | 1.08Å | 1.08Å | |
| C46 | H40 | sing | 1.08Å | 1.08Å | |
| C47 | H41 | sing | 1.08Å | 1.08Å | |
| N16 | H42 | sing | 0.97Å | 1.00Å | |
| O48 | H43 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C37 | O15 | C13 | 111.6° | 114.1° |
| O15 | C37 | H29 | 109.5° | 109.5° |
| O15 | C37 | H30 | 109.4° | 109.4° |
| O15 | C37 | H31 | 109.5° | 109.5° |
| C44 | C45 | C46 | 120.1° | 120.0° |
| C45 | C44 | C43 | 119.9° | 120.0° |
| C45 | C44 | H38 | 120.1° | 120.0° |
| C44 | C45 | H39 | 120.0° | 120.0° |
| C45 | C46 | C47 | 119.8° | 120.0° |
| C46 | C45 | H39 | 119.9° | 120.0° |
| C45 | C46 | H40 | 120.1° | 120.0° |
| C44 | C43 | C42 | 120.1° | 120.0° |
| C44 | C43 | H37 | 119.9° | 120.0° |
| C43 | C44 | H38 | 120.0° | 120.0° |
| O15 | C13 | C12 | 110.8° | 109.1° |
| O15 | C13 | C14 | 111.6° | 109.2° |
| O15 | C13 | H10 | 107.9° | 109.1° |
| C46 | C47 | C42 | 120.2° | 120.0° |
| C47 | C46 | H40 | 120.1° | 120.0° |
| C46 | C47 | H41 | 119.9° | 120.0° |
| C43 | C42 | C47 | 119.8° | 120.0° |
| C43 | C42 | C40 | 120.2° | 120.0° |
| C42 | C43 | H37 | 119.9° | 120.0° |
| C13 | C12 | C11 | 122.5° | 121.0° |
| C12 | C13 | C14 | 112.8° | 111.3° |
| C13 | C12 | H9 | 118.7° | 120.0° |
| C12 | C13 | H10 | 106.9° | 109.1° |
| C12 | C11 | C10 | 122.9° | 119.1° |
| C12 | C11 | H2 | 118.5° | 119.7° |
| C11 | C12 | H9 | 118.8° | 118.9° |
| C11 | C10 | C8 | 123.4° | 122.5° |
| C10 | C11 | H2 | 118.5° | 121.1° |
| C11 | C10 | H8 | 118.3° | 118.8° |
| C10 | C8 | C7 | 121.8° | 119.2° |
| C10 | C8 | C9 | 122.2° | 120.5° |
| C8 | C10 | H8 | 118.3° | 118.6° |
| C13 | C14 | O48 | 109.7° | 109.6° |
| C13 | C14 | N16 | 107.6° | 109.0° |
| C13 | C14 | C20 | 110.3° | 110.2° |
| C14 | C13 | H10 | 106.4° | 109.1° |
| C8 | C7 | C3 | 110.9° | 111.3° |
| C7 | C8 | C9 | 116.0° | 120.3° |
| C8 | C7 | H3 | 109.1° | 109.1° |
| C8 | C7 | H4 | 109.1° | 109.1° |
| C7 | C3 | C2 | 120.4° | 119.1° |
| C7 | C3 | C4 | 120.6° | 121.0° |
| C3 | C7 | H3 | 109.1° | 109.1° |
| C3 | C7 | H4 | 109.1° | 109.2° |
| C47 | C42 | C40 | 120.0° | 120.0° |
| C42 | C47 | H41 | 119.9° | 120.0° |
| C8 | C9 | H5 | 109.5° | 109.5° |
| C8 | C9 | H6 | 109.5° | 109.5° |
| C8 | C9 | H7 | 109.5° | 109.5° |
| C42 | C40 | C39 | 110.2° | 109.5° |
| C42 | C40 | H35 | 109.3° | 109.5° |
| C42 | C40 | H36 | 109.3° | 109.5° |
| O48 | C14 | N16 | 107.9° | 109.2° |
| O48 | C14 | C20 | 110.4° | 109.5° |
| C14 | O48 | H43 | 109.5° | 114.0° |
| N16 | C14 | C20 | 110.8° | 109.3° |
| C14 | N16 | C17 | 125.2° | 122.3° |
| C14 | N16 | H42 | 117.4° | 118.9° |
| C14 | C20 | C19 | 113.3° | 108.9° |
| C14 | C20 | H13 | 108.5° | 109.6° |
| C14 | C20 | H14 | 108.5° | 109.5° |
| C40 | C39 | O30 | 114.8° | 120.0° |
| C40 | C39 | O41 | 123.7° | 120.0° |
| C39 | C40 | H35 | 109.3° | 109.5° |
| C39 | C40 | H36 | 109.3° | 109.5° |
| C2 | C3 | C4 | 119.0° | 119.9° |
| C3 | C2 | C1 | 120.0° | 120.2° |
| C3 | C2 | H12 | 120.0° | 119.9° |
| C3 | C4 | C5 | 121.5° | 120.1° |
| C3 | C4 | H1 | 119.3° | 120.0° |
| N16 | C17 | O21 | 121.4° | 118.2° |
| N16 | C17 | O18 | 119.2° | 123.7° |
| C17 | N16 | H42 | 117.4° | 118.8° |
| C2 | C1 | O34 | 120.5° | 120.1° |
| C2 | C1 | C6 | 121.4° | 119.9° |
| C1 | C2 | H12 | 120.0° | 119.8° |
| C4 | C5 | C6 | 119.8° | 120.2° |
| C4 | C5 | N31 | 115.6° | 120.9° |
| C5 | C4 | H1 | 119.2° | 119.9° |
| C20 | C19 | O18 | 111.0° | 110.0° |
| C20 | C19 | C22 | 114.2° | 109.9° |
| C20 | C19 | H11 | 106.2° | 109.3° |
| C19 | C20 | H13 | 108.5° | 109.6° |
| C19 | C20 | H14 | 108.5° | 109.6° |
| O21 | C17 | O18 | 119.4° | 118.2° |
| C17 | O18 | C19 | 121.4° | 118.8° |
| O30 | C39 | O41 | 121.5° | 120.0° |
| C39 | O30 | C26 | 124.1° | 117.0° |
| O34 | C1 | C6 | 118.1° | 120.0° |
| C1 | O34 | C36 | 116.0° | 117.0° |
| C1 | C6 | C5 | 118.4° | 119.7° |
| C1 | C6 | CL33 | 119.4° | 120.2° |
| O30 | C26 | C25 | 114.5° | 109.5° |
| O30 | C26 | C27 | 114.6° | 109.5° |
| O30 | C26 | H20 | 103.4° | 109.6° |
| O34 | C36 | H26 | 109.5° | 109.5° |
| O34 | C36 | H27 | 109.5° | 109.5° |
| O34 | C36 | H28 | 109.4° | 109.5° |
| C6 | C5 | N31 | 124.6° | 118.9° |
| C5 | C6 | CL33 | 122.2° | 120.2° |
| C5 | N31 | C35 | 116.1° | 122.2° |
| C5 | N31 | C28 | 125.4° | 115.6° |
| C35 | N31 | C28 | 118.5° | 122.2° |
| N31 | C35 | H23 | 109.5° | 109.5° |
| N31 | C35 | H24 | 109.5° | 109.4° |
| N31 | C35 | H25 | 109.5° | 109.5° |
| O18 | C19 | C22 | 111.4° | 109.5° |
| O18 | C19 | H11 | 107.4° | 109.0° |
| N31 | C28 | C27 | 116.2° | 117.8° |
| N31 | C28 | O32 | 121.9° | 121.1° |
| C19 | C22 | C23 | 112.1° | 109.2° |
| C19 | C22 | C24 | 110.2° | 109.5° |
| C22 | C19 | H11 | 106.1° | 109.3° |
| C19 | C22 | H15 | 107.8° | 109.5° |
| C38 | C25 | C26 | 116.9° | 114.9° |
| C38 | C25 | C23 | 119.0° | 117.6° |
| C38 | C25 | O29 | 116.9° | 117.1° |
| C25 | C38 | H32 | 109.5° | 109.5° |
| C25 | C38 | H33 | 109.5° | 109.5° |
| C25 | C38 | H34 | 109.5° | 109.5° |
| C25 | C26 | C27 | 116.5° | 109.3° |
| C26 | C25 | C23 | 118.7° | 118.4° |
| C26 | C25 | O29 | 114.9° | 119.2° |
| C25 | C26 | H20 | 102.7° | 109.5° |
| C26 | C27 | C28 | 110.0° | 109.8° |
| C27 | C26 | H20 | 102.4° | 109.5° |
| C26 | C27 | H21 | 109.4° | 109.4° |
| C26 | C27 | H22 | 109.3° | 109.4° |
| C27 | C28 | O32 | 122.0° | 121.1° |
| C28 | C27 | H21 | 109.3° | 109.5° |
| C28 | C27 | H22 | 109.4° | 109.4° |
| C23 | C25 | O29 | 56.5° | 58.0° |
| C25 | C23 | C22 | 120.0° | 118.2° |
| C25 | C23 | O29 | 58.9° | 57.7° |
| C25 | C23 | H16 | 115.4° | 116.7° |
| C25 | O29 | C23 | 64.6° | 64.3° |
| C23 | C22 | C24 | 110.6° | 109.5° |
| C22 | C23 | O29 | 117.9° | 118.3° |
| C23 | C22 | H15 | 108.1° | 109.5° |
| C22 | C23 | H16 | 115.3° | 115.7° |
| C24 | C22 | H15 | 107.9° | 109.5° |
| C22 | C24 | H17 | 109.5° | 109.5° |
| C22 | C24 | H18 | 109.5° | 109.5° |
| C22 | C24 | H19 | 109.5° | 109.5° |
| O29 | C23 | H16 | 117.7° | 117.9° |
| H3 | C7 | H4 | 109.5° | 109.0° |
| H5 | C9 | H6 | 109.5° | 109.5° |
| H5 | C9 | H7 | 109.4° | 109.5° |
| H6 | C9 | H7 | 109.5° | 109.4° |
| H13 | C20 | H14 | 109.5° | 109.6° |
| H17 | C24 | H18 | 109.5° | 109.5° |
| H17 | C24 | H19 | 109.5° | 109.5° |
| H18 | C24 | H19 | 109.4° | 109.4° |
| H21 | C27 | H22 | 109.4° | 109.4° |
| H23 | C35 | H24 | 109.4° | 109.5° |
| H23 | C35 | H25 | 109.5° | 109.4° |
| H24 | C35 | H25 | 109.5° | 109.5° |
| H26 | C36 | H27 | 109.5° | 109.4° |
| H26 | C36 | H28 | 109.4° | 109.4° |
| H27 | C36 | H28 | 109.5° | 109.5° |
| H29 | C37 | H30 | 109.5° | 109.5° |
| H29 | C37 | H31 | 109.5° | 109.5° |
| H30 | C37 | H31 | 109.5° | 109.5° |
| H32 | C38 | H33 | 109.5° | 109.4° |
| H32 | C38 | H34 | 109.5° | 109.5° |
| H33 | C38 | H34 | 109.5° | 109.5° |
| H35 | C40 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | O15 | C13 | C12 | 40.9° | 90.0° |
| C37 | O15 | C13 | C14 | 85.7° | 148.2° |
| C37 | O15 | C13 | H10 | 157.7° | 29.0° |
| O15 | C37 | H29 | H30 | 120.0° | 119.9° |
| O15 | C37 | H29 | H31 | 120.0° | 120.1° |
| O15 | C37 | H30 | H31 | 120.0° | 120.0° |
| C44 | C45 | C46 | H39 | 180.0° | 179.9° |
| C45 | C44 | C43 | H38 | 180.0° | 180.0° |
| C44 | C45 | C46 | C47 | 0.1° | 0.2° |
| C45 | C44 | C43 | C42 | 0.1° | 0.0° |
| C45 | C44 | C43 | H37 | 179.9° | 179.9° |
| C44 | C45 | C46 | H40 | 179.9° | 180.0° |
| C46 | C45 | C44 | C43 | 0.0° | 0.1° |
| C45 | C46 | C47 | H40 | 180.0° | 179.8° |
| C45 | C46 | C47 | C42 | 0.1° | 0.5° |
| C46 | C45 | C44 | H38 | 180.0° | 180.0° |
| C45 | C46 | C47 | H41 | 179.9° | 179.9° |
| C44 | C43 | C42 | H37 | 180.0° | 179.9° |
| C44 | C43 | C42 | C47 | 0.1° | 0.4° |
| C44 | C43 | C42 | C40 | 179.9° | 179.9° |
| C43 | C44 | C45 | H39 | 180.0° | 180.0° |
| O15 | C13 | C12 | C14 | 126.0° | 120.5° |
| O15 | C13 | C12 | H10 | 117.4° | 119.0° |
| O15 | C13 | C12 | C11 | 142.7° | 38.2° |
| O15 | C13 | C14 | H10 | 117.5° | 119.1° |
| O15 | C13 | C14 | O48 | 62.4° | 47.3° |
| O15 | C13 | C14 | N16 | 54.8° | 72.2° |
| O15 | C13 | C14 | C20 | 175.8° | 167.9° |
| O15 | C13 | C12 | H9 | 37.3° | 142.4° |
| C13 | O15 | C37 | H29 | 180.0° | 59.9° |
| C13 | O15 | C37 | H30 | 60.0° | 60.0° |
| C13 | O15 | C37 | H31 | 60.0° | 180.0° |
| C46 | C47 | C42 | C43 | 0.1° | 0.6° |
| C46 | C47 | C42 | H41 | 180.0° | 179.4° |
| C46 | C47 | C42 | C40 | 179.8° | 179.7° |
| C47 | C46 | C45 | H39 | 179.9° | 179.8° |
| C43 | C42 | C47 | C40 | 179.8° | 179.7° |
| C43 | C42 | C40 | C39 | 128.9° | 90.0° |
| C43 | C42 | C40 | H35 | 111.0° | 30.0° |
| C43 | C42 | C40 | H36 | 8.8° | 149.9° |
| C42 | C43 | C44 | H38 | 179.9° | 179.9° |
| C43 | C42 | C47 | H41 | 179.9° | 180.0° |
| C13 | C12 | C11 | H9 | 180.0° | 179.5° |
| C13 | C12 | C11 | C10 | 179.8° | 172.5° |
| C12 | C13 | C14 | H10 | 117.0° | 120.5° |
| C12 | C13 | C14 | O48 | 63.2° | 73.1° |
| C12 | C13 | C14 | N16 | 179.7° | 167.3° |
| C12 | C13 | C14 | C20 | 58.7° | 47.4° |
| C13 | C12 | C11 | H2 | 0.1° | 5.3° |
| C12 | C11 | C10 | H2 | 180.0° | 177.8° |
| C12 | C11 | C10 | C8 | 179.8° | 142.0° |
| C11 | C12 | C13 | C14 | 91.4° | 82.3° |
| C12 | C11 | C10 | H8 | 0.2° | 38.7° |
| C11 | C12 | C13 | H10 | 25.3° | 157.2° |
| C11 | C10 | C8 | H8 | 180.0° | 179.2° |
| C11 | C10 | C8 | C7 | 180.0° | 178.1° |
| C11 | C10 | C8 | C9 | 0.4° | 2.2° |
| C10 | C11 | C12 | H9 | 0.2° | 8.0° |
| C10 | C8 | C7 | C9 | 179.6° | 179.6° |
| C10 | C8 | C7 | C3 | 117.2° | 133.4° |
| C8 | C10 | C11 | H2 | 0.2° | 40.2° |
| C10 | C8 | C7 | H3 | 3.0° | 106.1° |
| C10 | C8 | C7 | H4 | 122.6° | 12.9° |
| C10 | C8 | C9 | H5 | 180.0° | 89.6° |
| C10 | C8 | C9 | H6 | 60.0° | 30.4° |
| C10 | C8 | C9 | H7 | 60.0° | 150.3° |
| C13 | C14 | O48 | N16 | 117.0° | 119.4° |
| C13 | C14 | O48 | C20 | 121.8° | 121.0° |
| C13 | C14 | N16 | C20 | 120.7° | 120.5° |
| C13 | C14 | N16 | C17 | 126.8° | 141.1° |
| C13 | C14 | C20 | C19 | 153.0° | 169.9° |
| C14 | C13 | C12 | H9 | 88.6° | 97.2° |
| C13 | C14 | C20 | H13 | 86.4° | 70.2° |
| C13 | C14 | C20 | H14 | 32.5° | 50.1° |
| C13 | C14 | N16 | H42 | 53.2° | 38.8° |
| C13 | C14 | O48 | H43 | 180.0° | 59.3° |
| C8 | C7 | C3 | H3 | 120.2° | 120.5° |
| C8 | C7 | C3 | H4 | 120.2° | 120.5° |
| C8 | C7 | C3 | C2 | 109.4° | 144.1° |
| C8 | C7 | C3 | C4 | 70.6° | 36.2° |
| C8 | C7 | H3 | H4 | 119.4° | 119.1° |
| C7 | C8 | C9 | H5 | 0.4° | 90.0° |
| C7 | C8 | C9 | H6 | 120.4° | 150.0° |
| C7 | C8 | C9 | H7 | 119.6° | 30.0° |
| C7 | C8 | C10 | H8 | 0.1° | 1.1° |
| C3 | C7 | C8 | C9 | 62.4° | 46.2° |
| C7 | C3 | C2 | C4 | 180.0° | 179.7° |
| C7 | C3 | C2 | C1 | 179.9° | 178.7° |
| C7 | C3 | C4 | C5 | 179.9° | 178.9° |
| C7 | C3 | C4 | H1 | 0.1° | 1.3° |
| C3 | C7 | H3 | H4 | 119.3° | 119.1° |
| C7 | C3 | C2 | H12 | 0.1° | 0.8° |
| C47 | C42 | C40 | C39 | 50.9° | 90.3° |
| C47 | C42 | C40 | H35 | 69.2° | 149.7° |
| C47 | C42 | C40 | H36 | 171.0° | 29.8° |
| C47 | C42 | C43 | H37 | 179.9° | 179.8° |
| C42 | C47 | C46 | H40 | 180.0° | 179.7° |
| C9 | C8 | C7 | H3 | 177.4° | 74.2° |
| C9 | C8 | C7 | H4 | 57.8° | 166.7° |
| C8 | C9 | H5 | H6 | 120.0° | 120.0° |
| C8 | C9 | H5 | H7 | 120.0° | 120.1° |
| C8 | C9 | H6 | H7 | 120.0° | 120.0° |
| C9 | C8 | C10 | H8 | 179.6° | 178.5° |
| C42 | C40 | C39 | H35 | 120.1° | 120.0° |
| C42 | C40 | C39 | H36 | 120.1° | 120.0° |
| C42 | C40 | C39 | O30 | 123.3° | 179.9° |
| C42 | C40 | C39 | O41 | 57.0° | 0.0° |
| C42 | C40 | H35 | H36 | 119.7° | 120.0° |
| C40 | C42 | C43 | H37 | 0.1° | 0.1° |
| C40 | C42 | C47 | H41 | 0.2° | 0.3° |
| O48 | C14 | N16 | C20 | 121.0° | 119.8° |
| O48 | C14 | N16 | C17 | 114.9° | 99.1° |
| O48 | C14 | C20 | C19 | 85.6° | 69.4° |
| O48 | C14 | C13 | H10 | 179.9° | 166.4° |
| O48 | C14 | C20 | H13 | 35.0° | 50.4° |
| O48 | C14 | C20 | H14 | 153.9° | 170.7° |
| O48 | C14 | N16 | H42 | 65.1° | 80.9° |
| C14 | N16 | C17 | H42 | 180.0° | 179.9° |
| N16 | C14 | C20 | C19 | 33.9° | 50.2° |
| C14 | N16 | C17 | O21 | 173.6° | 175.7° |
| C14 | N16 | C17 | O18 | 6.4° | 4.4° |
| N16 | C14 | C13 | H10 | 62.7° | 46.9° |
| N16 | C14 | C20 | H13 | 154.4° | 170.0° |
| N16 | C14 | C20 | H14 | 86.7° | 69.7° |
| N16 | C14 | O48 | H43 | 63.0° | 60.0° |
| C20 | C14 | N16 | C17 | 6.1° | 20.6° |
| C14 | C20 | C19 | H13 | 120.5° | 119.9° |
| C14 | C20 | C19 | H14 | 120.6° | 119.8° |
| C14 | C20 | C19 | O18 | 50.6° | 58.2° |
| C14 | C20 | C19 | C22 | 177.6° | 178.7° |
| C20 | C14 | C13 | H10 | 58.3° | 73.0° |
| C14 | C20 | C19 | H11 | 65.8° | 61.4° |
| C14 | C20 | H13 | H14 | 118.3° | 120.2° |
| C20 | C14 | N16 | H42 | 174.0° | 159.3° |
| C20 | C14 | O48 | H43 | 58.2° | 179.7° |
| C40 | C39 | O30 | O41 | 179.7° | 179.9° |
| C40 | C39 | O30 | C26 | 142.0° | 179.9° |
| C39 | C40 | H35 | H36 | 119.6° | 120.0° |
| C3 | C2 | C1 | H12 | 180.0° | 179.5° |
| C2 | C3 | C4 | C5 | 0.1° | 0.8° |
| C3 | C2 | C1 | O34 | 179.9° | 179.8° |
| C3 | C2 | C1 | C6 | 0.1° | 0.7° |
| C2 | C3 | C4 | H1 | 179.9° | 179.0° |
| C2 | C3 | C7 | H3 | 130.4° | 23.6° |
| C2 | C3 | C7 | H4 | 10.8° | 95.4° |
| C4 | C3 | C2 | C1 | 0.1° | 1.0° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 0.2° | 0.3° |
| C3 | C4 | C5 | N31 | 179.9° | 179.5° |
| C4 | C3 | C7 | H3 | 49.6° | 156.7° |
| C4 | C3 | C7 | H4 | 169.2° | 84.3° |
| C4 | C3 | C2 | H12 | 180.0° | 179.5° |
| N16 | C17 | O21 | O18 | 180.0° | 179.9° |
| N16 | C17 | O18 | C19 | 12.3° | 3.4° |
| C2 | C1 | O34 | C6 | 179.9° | 179.5° |
| C2 | C1 | O34 | C36 | 95.9° | 0.5° |
| C2 | C1 | C6 | C5 | 0.1° | 0.2° |
| C2 | C1 | C6 | CL33 | 180.0° | 179.7° |
| C4 | C5 | C6 | C1 | 0.2° | 0.0° |
| C4 | C5 | C6 | N31 | 179.7° | 179.8° |
| C4 | C5 | N31 | C35 | 94.7° | 174.2° |
| C4 | C5 | C6 | CL33 | 179.9° | 179.9° |
| C4 | C5 | N31 | C28 | 85.7° | 5.8° |
| C20 | C19 | O18 | C17 | 40.3° | 35.1° |
| C20 | C19 | O18 | C22 | 128.5° | 120.8° |
| C20 | C19 | O18 | H11 | 115.7° | 119.7° |
| C20 | C19 | C22 | H11 | 116.6° | 119.9° |
| C20 | C19 | C22 | C23 | 63.9° | 106.1° |
| C20 | C19 | C22 | C24 | 172.4° | 134.0° |
| C19 | C20 | H13 | H14 | 118.3° | 120.3° |
| C20 | C19 | C22 | H15 | 54.9° | 13.8° |
| O21 | C17 | O18 | C19 | 167.7° | 176.5° |
| O21 | C17 | N16 | H42 | 6.4° | 4.2° |
| C17 | O18 | C19 | C22 | 168.9° | 155.9° |
| C17 | O18 | C19 | H11 | 75.4° | 84.6° |
| O18 | C17 | N16 | H42 | 173.6° | 175.7° |
| C39 | O30 | C26 | C25 | 87.8° | 150.1° |
| C39 | O30 | C26 | C27 | 133.8° | 90.1° |
| C39 | O30 | C26 | H20 | 23.1° | 29.9° |
| O30 | C39 | C40 | H35 | 3.2° | 59.9° |
| O30 | C39 | C40 | H36 | 116.5° | 60.1° |
| O41 | C39 | O30 | C26 | 37.7° | 0.0° |
| O41 | C39 | C40 | H35 | 177.1° | 120.0° |
| O41 | C39 | C40 | H36 | 63.1° | 120.0° |
| O34 | C1 | C6 | C5 | 180.0° | 179.7° |
| O34 | C1 | C6 | CL33 | 0.1° | 0.2° |
| O34 | C1 | C2 | H12 | 0.1° | 0.2° |
| C1 | O34 | C36 | H26 | 180.0° | 60.0° |
| C1 | O34 | C36 | H27 | 60.0° | 180.0° |
| C1 | O34 | C36 | H28 | 60.0° | 59.9° |
| C6 | C1 | O34 | C36 | 84.0° | 180.0° |
| C1 | C6 | C5 | CL33 | 179.9° | 179.9° |
| C1 | C6 | C5 | N31 | 179.9° | 179.8° |
| C6 | C1 | C2 | H12 | 179.9° | 179.8° |
| O30 | C26 | C25 | C38 | 61.9° | 116.7° |
| O30 | C26 | C25 | C27 | 137.7° | 119.9° |
| O30 | C26 | C25 | H20 | 111.4° | 120.2° |
| O30 | C26 | C27 | H20 | 111.3° | 120.1° |
| O30 | C26 | C27 | C28 | 46.4° | 8.0° |
| O30 | C26 | C25 | C23 | 91.8° | 29.5° |
| O30 | C26 | C25 | O29 | 155.7° | 96.7° |
| O30 | C26 | C27 | H21 | 73.7° | 128.1° |
| O30 | C26 | C27 | H22 | 166.5° | 112.1° |
| O34 | C36 | H26 | H27 | 120.0° | 120.0° |
| O34 | C36 | H26 | H28 | 120.0° | 120.0° |
| O34 | C36 | H27 | H28 | 120.0° | 120.1° |
| C6 | C5 | N31 | C35 | 84.9° | 5.6° |
| C6 | C5 | N31 | C28 | 94.7° | 174.3° |
| C6 | C5 | C4 | H1 | 179.8° | 179.5° |
| C5 | N31 | C35 | C28 | 179.6° | 180.0° |
| N31 | C5 | C6 | CL33 | 0.2° | 0.2° |
| C5 | N31 | C28 | C27 | 0.6° | 178.2° |
| C5 | N31 | C28 | O32 | 179.9° | 1.8° |
| N31 | C5 | C4 | H1 | 0.1° | 0.7° |
| C5 | N31 | C35 | H23 | 180.0° | 54.6° |
| C5 | N31 | C35 | H24 | 60.0° | 174.6° |
| C5 | N31 | C35 | H25 | 60.0° | 65.3° |
| C35 | N31 | C28 | C27 | 179.9° | 1.9° |
| C35 | N31 | C28 | O32 | 0.5° | 178.2° |
| N31 | C35 | H23 | H24 | 120.0° | 120.0° |
| N31 | C35 | H23 | H25 | 120.0° | 120.0° |
| N31 | C35 | H24 | H25 | 120.0° | 120.1° |
| O18 | C19 | C22 | H11 | 116.6° | 119.3° |
| O18 | C19 | C22 | C23 | 169.3° | 133.1° |
| O18 | C19 | C22 | C24 | 45.6° | 13.1° |
| O18 | C19 | C20 | H13 | 171.2° | 178.1° |
| O18 | C19 | C20 | H14 | 69.9° | 61.6° |
| O18 | C19 | C22 | H15 | 71.9° | 107.0° |
| N31 | C28 | C27 | C26 | 113.9° | 129.5° |
| N31 | C28 | C27 | O32 | 179.3° | 180.0° |
| N31 | C28 | C27 | H21 | 6.3° | 110.4° |
| N31 | C28 | C27 | H22 | 126.0° | 9.4° |
| C28 | N31 | C35 | H23 | 0.4° | 125.4° |
| C28 | N31 | C35 | H24 | 120.4° | 5.4° |
| C28 | N31 | C35 | H25 | 119.6° | 114.7° |
| C19 | C22 | C23 | C25 | 93.3° | 136.5° |
| C19 | C22 | C23 | C24 | 123.4° | 119.9° |
| C19 | C22 | C23 | H15 | 118.7° | 120.0° |
| C19 | C22 | C24 | H15 | 117.4° | 120.1° |
| C19 | C22 | C23 | O29 | 161.6° | 157.1° |
| C22 | C19 | C20 | H13 | 61.8° | 61.4° |
| C22 | C19 | C20 | H14 | 57.1° | 58.9° |
| C19 | C22 | C23 | H16 | 52.0° | 9.0° |
| C19 | C22 | C24 | H17 | 180.0° | 60.0° |
| C19 | C22 | C24 | H18 | 60.0° | 180.0° |
| C19 | C22 | C24 | H19 | 60.0° | 60.0° |
| C38 | C25 | C26 | C23 | 153.6° | 146.2° |
| C38 | C25 | C26 | O29 | 142.5° | 146.6° |
| C38 | C25 | C26 | C27 | 75.8° | 3.3° |
| C38 | C25 | C23 | O29 | 104.6° | 106.3° |
| C38 | C25 | C23 | C22 | 1.8° | 1.0° |
| C38 | C25 | C23 | H16 | 147.0° | 146.2° |
| C38 | C25 | C26 | H20 | 173.2° | 123.2° |
| C25 | C38 | H32 | H33 | 120.0° | 120.0° |
| C25 | C38 | H32 | H34 | 120.0° | 120.0° |
| C25 | C38 | H33 | H34 | 120.0° | 120.1° |
| C25 | C26 | C27 | H20 | 111.1° | 119.9° |
| C25 | C26 | C27 | C28 | 176.0° | 112.0° |
| C26 | C25 | C23 | O29 | 102.3° | 108.4° |
| C26 | C25 | C23 | C22 | 151.3° | 144.3° |
| C26 | C25 | C23 | H16 | 6.0° | 0.9° |
| C25 | C26 | C27 | H21 | 63.9° | 8.2° |
| C25 | C26 | C27 | H22 | 55.9° | 128.0° |
| C26 | C25 | C38 | H32 | 180.0° | 175.0° |
| C26 | C25 | C38 | H33 | 60.0° | 55.1° |
| C26 | C25 | C38 | H34 | 60.0° | 65.0° |
| C26 | C27 | C28 | H21 | 120.1° | 120.1° |
| C26 | C27 | C28 | H22 | 120.1° | 120.0° |
| C26 | C27 | C28 | O32 | 65.5° | 50.6° |
| C27 | C26 | C25 | C23 | 130.6° | 149.5° |
| C27 | C26 | C25 | O29 | 66.7° | 143.4° |
| C26 | C27 | H21 | H22 | 119.7° | 119.8° |
| C28 | C27 | C26 | H20 | 64.9° | 128.1° |
| C28 | C27 | H21 | H22 | 119.7° | 119.9° |
| O32 | C28 | C27 | H21 | 174.4° | 69.5° |
| O32 | C28 | C27 | H22 | 54.6° | 170.6° |
| C25 | C23 | C22 | O29 | 68.4° | 66.4° |
| C25 | C23 | C22 | H16 | 145.2° | 145.5° |
| C25 | C23 | C22 | C24 | 143.3° | 103.6° |
| C25 | C23 | O29 | H16 | 104.4° | 105.5° |
| C25 | C23 | C22 | H15 | 25.4° | 16.5° |
| C23 | C25 | C26 | H20 | 19.6° | 90.6° |
| C23 | C25 | C38 | H32 | 26.5° | 38.5° |
| C23 | C25 | C38 | H33 | 146.5° | 158.4° |
| C23 | C25 | C38 | H34 | 93.5° | 81.5° |
| O29 | C25 | C26 | H20 | 44.3° | 23.5° |
| O29 | C25 | C38 | H32 | 38.3° | 27.7° |
| O29 | C25 | C38 | H33 | 81.7° | 92.2° |
| O29 | C25 | C38 | H34 | 158.2° | 147.7° |
| C23 | C22 | C24 | H15 | 118.1° | 120.1° |
| C22 | C23 | O29 | H16 | 145.6° | 147.4° |
| C23 | C22 | C19 | H11 | 52.7° | 13.8° |
| C23 | C22 | C24 | H17 | 55.5° | 59.7° |
| C23 | C22 | C24 | H18 | 175.5° | 60.3° |
| C23 | C22 | C24 | H19 | 64.5° | 179.8° |
| C24 | C22 | C23 | O29 | 74.9° | 37.1° |
| C24 | C22 | C19 | H11 | 71.0° | 106.1° |
| C24 | C22 | C23 | H16 | 71.4° | 110.9° |
| C22 | C24 | H17 | H18 | 120.0° | 120.0° |
| C22 | C24 | H17 | H19 | 120.0° | 120.0° |
| C22 | C24 | H18 | H19 | 120.0° | 120.0° |
| O29 | C23 | C22 | H15 | 43.0° | 83.0° |
| H2 | C11 | C10 | H8 | 179.8° | 139.0° |
| H2 | C11 | C12 | H9 | 179.9° | 174.2° |
| H5 | C9 | H6 | H7 | 120.0° | 120.0° |
| H9 | C12 | C13 | H10 | 154.7° | 23.3° |
| H11 | C19 | C20 | H13 | 54.7° | 58.5° |
| H11 | C19 | C20 | H14 | 173.6° | 178.8° |
| H11 | C19 | C22 | H15 | 171.5° | 133.7° |
| H15 | C22 | C23 | H16 | 170.6° | 129.0° |
| H15 | C22 | C24 | H17 | 62.6° | 179.8° |
| H15 | C22 | C24 | H18 | 57.5° | 59.8° |
| H15 | C22 | C24 | H19 | 177.4° | 60.1° |
| H17 | C24 | H18 | H19 | 120.0° | 120.0° |
| H20 | C26 | C27 | H21 | 175.0° | 111.8° |
| H20 | C26 | C27 | H22 | 55.3° | 8.0° |
| H23 | C35 | H24 | H25 | 120.0° | 120.0° |
| H26 | C36 | H27 | H28 | 120.0° | 119.9° |
| H29 | C37 | H30 | H31 | 120.0° | 120.0° |
| H32 | C38 | H33 | H34 | 120.0° | 120.0° |
| H37 | C43 | C44 | H38 | 0.1° | 0.0° |
| H38 | C44 | C45 | H39 | 0.0° | 0.0° |
| H39 | C45 | C46 | H40 | 0.1° | 0.1° |
| H40 | C46 | C47 | H41 | 0.0° | 0.2° |
