0I0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C41 | C40 | doub | 1.32Å | 1.24Å | Aromatic |
| C41 | C35 | sing | 1.47Å | 1.33Å | Aromatic |
| C36 | C35 | doub | 1.31Å | 1.38Å | Aromatic |
| C36 | C37 | sing | 1.47Å | 1.38Å | Aromatic |
| C40 | C39 | sing | 1.47Å | 1.31Å | Aromatic |
| C35 | C34 | sing | 1.47Å | 1.46Å | Aromatic |
| C37 | C32 | doub | 1.32Å | 1.38Å | Aromatic |
| C39 | C47 | doub | 1.31Å | 1.37Å | Aromatic |
| C39 | C38 | sing | 1.47Å | 1.45Å | Aromatic |
| C47 | C46 | sing | 1.47Å | 1.36Å | Aromatic |
| C34 | C38 | doub | 1.31Å | 1.45Å | Aromatic |
| C34 | C33 | sing | 1.47Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.47Å | 1.42Å | Aromatic |
| C32 | O31 | sing | 1.36Å | 1.45Å | |
| C38 | C44 | sing | 1.48Å | 1.37Å | Aromatic |
| C33 | C42 | doub | 1.31Å | 1.44Å | Aromatic |
| C46 | C45 | doub | 1.32Å | 1.38Å | Aromatic |
| O31 | C30 | sing | 1.43Å | 1.43Å | |
| O7 | C6 | sing | 1.34Å | 1.40Å | |
| C29 | C30 | sing | 1.53Å | 1.56Å | |
| C29 | N27 | sing | 1.47Å | 1.49Å | |
| C44 | C45 | sing | 1.47Å | 1.40Å | Aromatic |
| C44 | C43 | doub | 1.31Å | 1.44Å | Aromatic |
| C42 | C43 | sing | 1.48Å | 1.47Å | Aromatic |
| O10 | C8 | doub | 1.22Å | 1.19Å | |
| C21 | C15 | sing | 1.51Å | 1.56Å | |
| N27 | C26 | sing | 1.35Å | 1.49Å | |
| C6 | C1 | sing | 1.50Å | 1.54Å | |
| C6 | C5 | doub | 1.37Å | 1.32Å | |
| C8 | C5 | sing | 1.47Å | 1.55Å | |
| C8 | C9 | sing | 1.48Å | 1.56Å | |
| O23 | C19 | doub | 1.22Å | 1.20Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.47Å | 1.53Å | |
| C15 | C9 | doub | 1.39Å | 1.43Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.43Å | Aromatic |
| C9 | C11 | sing | 1.40Å | 1.38Å | Aromatic |
| C26 | O28 | doub | 1.21Å | 1.19Å | |
| C26 | C25 | sing | 1.51Å | 1.55Å | |
| C19 | C14 | sing | 1.47Å | 1.41Å | |
| C19 | N18 | sing | 1.35Å | 1.36Å | |
| C14 | C13 | doub | 1.41Å | 1.39Å | Aromatic |
| C4 | O20 | doub | 1.21Å | 1.19Å | |
| C4 | C3 | sing | 1.51Å | 1.54Å | |
| C25 | N18 | sing | 1.47Å | 1.50Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| N18 | C17 | sing | 1.34Å | 1.36Å | |
| C11 | C12 | doub | 1.37Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.43Å | Aromatic |
| C13 | N16 | sing | 1.38Å | 1.33Å | |
| C17 | N16 | sing | 1.34Å | 1.37Å | |
| C17 | O24 | doub | 1.21Å | 1.18Å | |
| N16 | C22 | sing | 1.46Å | 1.45Å | |
| C21 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C36 | H23 | sing | 1.08Å | 1.08Å | |
| C37 | H24 | sing | 1.08Å | 1.08Å | |
| C40 | H25 | sing | 1.08Å | 1.08Å | |
| C41 | H26 | sing | 1.08Å | 1.08Å | |
| C42 | H27 | sing | 1.08Å | 1.08Å | |
| C43 | H28 | sing | 1.08Å | 1.08Å | |
| C45 | H29 | sing | 1.08Å | 1.08Å | |
| C46 | H30 | sing | 1.08Å | 1.08Å | |
| C47 | H31 | sing | 1.08Å | 1.08Å | |
| N27 | H32 | sing | 0.97Å | 1.00Å | |
| O7 | H33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C40 | C41 | C35 | 123.7° | 120.3° |
| C41 | C40 | C39 | 124.3° | 120.2° |
| C41 | C40 | H25 | 117.8° | 119.9° |
| C40 | C41 | H26 | 118.1° | 119.8° |
| C41 | C35 | C36 | 122.0° | 121.7° |
| C41 | C35 | C34 | 119.9° | 119.2° |
| C35 | C41 | H26 | 118.2° | 119.9° |
| C35 | C36 | C37 | 119.0° | 122.0° |
| C36 | C35 | C34 | 118.1° | 119.1° |
| C35 | C36 | H23 | 120.5° | 119.1° |
| C36 | C37 | C32 | 124.3° | 122.8° |
| C37 | C36 | H23 | 120.5° | 119.0° |
| C36 | C37 | H24 | 117.9° | 118.6° |
| C40 | C39 | C47 | 121.2° | 121.8° |
| C40 | C39 | C38 | 120.4° | 119.1° |
| C39 | C40 | H25 | 117.8° | 119.8° |
| C35 | C34 | C38 | 115.3° | 120.5° |
| C35 | C34 | C33 | 121.5° | 119.2° |
| C37 | C32 | C33 | 118.8° | 119.4° |
| C37 | C32 | O31 | 118.9° | 120.3° |
| C32 | C37 | H24 | 117.9° | 118.6° |
| C47 | C39 | C38 | 118.4° | 119.1° |
| C39 | C47 | C46 | 119.7° | 122.0° |
| C39 | C47 | H31 | 120.2° | 119.0° |
| C39 | C38 | C34 | 116.3° | 120.6° |
| C39 | C38 | C44 | 120.9° | 119.2° |
| C47 | C46 | C45 | 122.7° | 122.8° |
| C47 | C46 | H30 | 118.6° | 118.6° |
| C46 | C47 | H31 | 120.1° | 119.0° |
| C38 | C34 | C33 | 123.3° | 120.2° |
| C34 | C38 | C44 | 122.8° | 120.2° |
| C34 | C33 | C32 | 118.4° | 117.6° |
| C34 | C33 | C42 | 115.9° | 119.8° |
| C33 | C32 | O31 | 122.4° | 120.3° |
| C32 | C33 | C42 | 125.7° | 122.7° |
| C32 | O31 | C30 | 113.9° | 117.0° |
| C38 | C44 | C45 | 118.5° | 117.6° |
| C38 | C44 | C43 | 116.1° | 119.8° |
| C33 | C42 | C43 | 120.6° | 120.0° |
| C33 | C42 | H27 | 119.7° | 120.0° |
| C46 | C45 | C44 | 119.9° | 119.3° |
| C46 | C45 | H29 | 120.1° | 120.3° |
| C45 | C46 | H30 | 118.7° | 118.6° |
| O31 | C30 | C29 | 111.3° | 109.5° |
| O31 | C30 | H21 | 109.0° | 109.5° |
| O31 | C30 | H22 | 109.0° | 109.5° |
| O7 | C6 | C1 | 118.4° | 118.7° |
| O7 | C6 | C5 | 120.6° | 118.7° |
| C6 | O7 | H33 | 109.5° | 117.0° |
| C30 | C29 | N27 | 111.8° | 109.5° |
| C30 | C29 | H19 | 108.9° | 109.5° |
| C30 | C29 | H20 | 108.9° | 109.5° |
| C29 | C30 | H21 | 109.0° | 109.5° |
| C29 | C30 | H22 | 109.0° | 109.5° |
| C29 | N27 | C26 | 121.9° | 120.0° |
| N27 | C29 | H19 | 108.9° | 109.5° |
| N27 | C29 | H20 | 108.9° | 109.5° |
| C29 | N27 | H32 | 119.0° | 120.0° |
| C45 | C44 | C43 | 125.5° | 122.6° |
| C44 | C45 | H29 | 120.1° | 120.3° |
| C44 | C43 | C42 | 121.3° | 120.0° |
| C44 | C43 | H28 | 119.4° | 120.0° |
| C43 | C42 | H27 | 119.7° | 120.0° |
| C42 | C43 | H28 | 119.3° | 120.0° |
| O10 | C8 | C5 | 117.1° | 120.0° |
| O10 | C8 | C9 | 115.4° | 120.0° |
| C21 | C15 | C9 | 115.6° | 120.4° |
| C21 | C15 | C14 | 124.2° | 120.4° |
| C15 | C21 | H1 | 109.5° | 109.5° |
| C15 | C21 | H2 | 109.5° | 109.4° |
| C15 | C21 | H3 | 109.5° | 109.5° |
| N27 | C26 | O28 | 120.1° | 120.0° |
| N27 | C26 | C25 | 121.4° | 120.0° |
| C26 | N27 | H32 | 119.0° | 120.1° |
| C1 | C6 | C5 | 121.0° | 122.6° |
| C6 | C1 | C2 | 110.5° | 111.1° |
| C6 | C1 | H7 | 109.2° | 109.2° |
| C6 | C1 | H8 | 109.2° | 109.1° |
| C6 | C5 | C8 | 117.7° | 120.0° |
| C6 | C5 | C4 | 121.1° | 120.0° |
| C5 | C8 | C9 | 127.5° | 120.0° |
| C8 | C5 | C4 | 120.6° | 120.0° |
| C8 | C9 | C15 | 121.2° | 120.0° |
| C8 | C9 | C11 | 117.1° | 119.9° |
| O23 | C19 | C14 | 122.3° | 120.8° |
| O23 | C19 | N18 | 117.4° | 120.9° |
| C1 | C2 | C3 | 109.8° | 109.2° |
| C2 | C1 | H7 | 109.2° | 109.1° |
| C2 | C1 | H8 | 109.2° | 109.2° |
| C1 | C2 | H9 | 109.4° | 109.5° |
| C1 | C2 | H10 | 109.4° | 109.6° |
| C5 | C4 | O20 | 120.3° | 121.1° |
| C5 | C4 | C3 | 118.1° | 117.7° |
| C9 | C15 | C14 | 120.2° | 119.3° |
| C15 | C9 | C11 | 121.6° | 120.1° |
| C15 | C14 | C19 | 125.7° | 121.7° |
| C15 | C14 | C13 | 116.6° | 120.1° |
| C9 | C11 | C12 | 118.6° | 120.6° |
| C9 | C11 | H15 | 120.7° | 119.7° |
| O28 | C26 | C25 | 118.5° | 120.0° |
| C26 | C25 | N18 | 123.0° | 109.5° |
| C26 | C25 | H17 | 106.0° | 109.5° |
| C26 | C25 | H18 | 106.0° | 109.5° |
| C14 | C19 | N18 | 120.2° | 118.2° |
| C19 | C14 | C13 | 117.7° | 118.2° |
| C19 | N18 | C25 | 127.0° | 119.4° |
| C19 | N18 | C17 | 119.4° | 121.3° |
| C14 | C13 | C12 | 122.5° | 119.8° |
| C14 | C13 | N16 | 121.2° | 118.7° |
| O20 | C4 | C3 | 121.6° | 121.2° |
| C4 | C3 | C2 | 108.6° | 107.5° |
| C4 | C3 | H11 | 109.7° | 109.9° |
| C4 | C3 | H12 | 109.6° | 109.9° |
| C25 | N18 | C17 | 113.7° | 119.4° |
| N18 | C25 | H17 | 106.0° | 109.5° |
| N18 | C25 | H18 | 106.0° | 109.5° |
| C3 | C2 | H9 | 109.4° | 109.5° |
| C3 | C2 | H10 | 109.4° | 109.5° |
| C2 | C3 | H11 | 109.7° | 109.9° |
| C2 | C3 | H12 | 109.7° | 109.9° |
| N18 | C17 | N16 | 121.0° | 122.8° |
| N18 | C17 | O24 | 119.9° | 118.6° |
| C11 | C12 | C13 | 120.4° | 120.1° |
| C12 | C11 | H15 | 120.7° | 119.7° |
| C11 | C12 | H16 | 119.8° | 119.9° |
| C12 | C13 | N16 | 116.3° | 121.4° |
| C13 | C12 | H16 | 119.8° | 120.0° |
| C13 | N16 | C17 | 120.4° | 120.7° |
| C13 | N16 | C22 | 120.0° | 119.7° |
| N16 | C17 | O24 | 119.0° | 118.6° |
| C17 | N16 | C22 | 119.6° | 119.6° |
| N16 | C22 | H4 | 109.5° | 109.4° |
| N16 | C22 | H5 | 109.4° | 109.5° |
| N16 | C22 | H6 | 109.5° | 109.4° |
| H1 | C21 | H2 | 109.5° | 109.5° |
| H1 | C21 | H3 | 109.5° | 109.5° |
| H2 | C21 | H3 | 109.5° | 109.5° |
| H4 | C22 | H5 | 109.5° | 109.5° |
| H4 | C22 | H6 | 109.5° | 109.5° |
| H5 | C22 | H6 | 109.5° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.2° |
| H9 | C2 | H10 | 109.4° | 109.5° |
| H11 | C3 | H12 | 109.5° | 109.8° |
| H17 | C25 | H18 | 109.5° | 109.4° |
| H19 | C29 | H20 | 109.5° | 109.5° |
| H21 | C30 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C40 | C41 | C35 | H26 | 180.0° | 179.9° |
| C40 | C41 | C35 | C36 | 179.7° | 179.9° |
| C41 | C40 | C39 | H25 | 180.0° | 179.9° |
| C40 | C41 | C35 | C34 | 0.1° | 0.1° |
| C41 | C40 | C39 | C47 | 180.0° | 179.9° |
| C41 | C40 | C39 | C38 | 0.1° | 0.0° |
| C41 | C35 | C36 | C34 | 179.6° | 180.0° |
| C41 | C35 | C36 | C37 | 180.0° | 179.8° |
| C35 | C41 | C40 | C39 | 0.0° | 0.1° |
| C41 | C35 | C34 | C38 | 0.2° | 0.0° |
| C41 | C35 | C34 | C33 | 179.9° | 180.0° |
| C41 | C35 | C36 | H23 | 0.0° | 0.1° |
| C35 | C41 | C40 | H25 | 180.0° | 180.0° |
| C35 | C36 | C37 | H23 | 180.0° | 179.8° |
| C35 | C36 | C37 | C32 | 0.2° | 0.5° |
| C36 | C35 | C34 | C38 | 179.8° | 180.0° |
| C36 | C35 | C34 | C33 | 0.2° | 0.1° |
| C35 | C36 | C37 | H24 | 179.7° | 179.9° |
| C36 | C35 | C41 | H26 | 0.3° | 0.0° |
| C37 | C36 | C35 | C34 | 0.4° | 0.2° |
| C36 | C37 | C32 | H24 | 180.0° | 179.6° |
| C36 | C37 | C32 | C33 | 0.1° | 0.5° |
| C36 | C37 | C32 | O31 | 179.9° | 179.8° |
| C40 | C39 | C47 | C38 | 179.9° | 180.0° |
| C40 | C39 | C47 | C46 | 180.0° | 180.0° |
| C40 | C39 | C38 | C34 | 0.1° | 0.0° |
| C40 | C39 | C38 | C44 | 179.8° | 180.0° |
| C39 | C40 | C41 | H26 | 180.0° | 180.0° |
| C40 | C39 | C47 | H31 | 0.0° | 0.0° |
| C35 | C34 | C38 | C39 | 0.2° | 0.0° |
| C35 | C34 | C38 | C33 | 180.0° | 180.0° |
| C35 | C34 | C33 | C32 | 0.1° | 0.1° |
| C35 | C34 | C38 | C44 | 179.9° | 180.0° |
| C35 | C34 | C33 | C42 | 180.0° | 180.0° |
| C34 | C35 | C36 | H23 | 179.6° | 179.9° |
| C34 | C35 | C41 | H26 | 179.9° | 180.0° |
| C37 | C32 | C33 | C34 | 0.2° | 0.3° |
| C37 | C32 | C33 | O31 | 179.9° | 179.7° |
| C37 | C32 | C33 | C42 | 179.9° | 179.8° |
| C37 | C32 | O31 | C30 | 32.4° | 0.2° |
| C32 | C37 | C36 | H23 | 179.8° | 179.7° |
| C39 | C47 | C46 | H31 | 180.0° | 180.0° |
| C47 | C39 | C38 | C34 | 179.9° | 180.0° |
| C47 | C39 | C38 | C44 | 0.2° | 0.1° |
| C39 | C47 | C46 | C45 | 0.1° | 0.0° |
| C47 | C39 | C40 | H25 | 0.0° | 0.0° |
| C39 | C47 | C46 | H30 | 179.9° | 180.0° |
| C38 | C39 | C47 | C46 | 0.1° | 0.0° |
| C39 | C38 | C34 | C44 | 179.7° | 179.9° |
| C39 | C38 | C34 | C33 | 179.9° | 180.0° |
| C39 | C38 | C44 | C45 | 0.3° | 0.0° |
| C39 | C38 | C44 | C43 | 179.9° | 179.9° |
| C38 | C39 | C40 | H25 | 179.9° | 180.0° |
| C38 | C39 | C47 | H31 | 180.0° | 180.0° |
| C47 | C46 | C45 | H30 | 180.0° | 180.0° |
| C47 | C46 | C45 | C44 | 0.1° | 0.0° |
| C47 | C46 | C45 | H29 | 179.9° | 180.0° |
| C38 | C34 | C33 | C32 | 179.9° | 180.0° |
| C38 | C34 | C33 | C42 | 0.0° | 0.0° |
| C34 | C38 | C44 | C45 | 179.9° | 180.0° |
| C34 | C38 | C44 | C43 | 0.2° | 0.2° |
| C34 | C33 | C32 | C42 | 179.9° | 180.0° |
| C34 | C33 | C32 | O31 | 179.9° | 180.0° |
| C33 | C34 | C38 | C44 | 0.2° | 0.1° |
| C34 | C33 | C42 | C43 | 0.0° | 0.0° |
| C34 | C33 | C42 | H27 | 180.0° | 180.0° |
| C33 | C32 | O31 | C30 | 147.5° | 180.0° |
| C32 | C33 | C42 | C43 | 180.0° | 180.0° |
| C33 | C32 | C37 | H24 | 179.9° | 180.0° |
| C32 | C33 | C42 | H27 | 0.0° | 0.0° |
| O31 | C32 | C33 | C42 | 0.0° | 0.0° |
| C32 | O31 | C30 | C29 | 159.1° | 180.0° |
| C32 | O31 | C30 | H21 | 38.9° | 60.0° |
| C32 | O31 | C30 | H22 | 80.6° | 60.0° |
| O31 | C32 | C37 | H24 | 0.1° | 0.2° |
| C38 | C44 | C45 | C46 | 0.1° | 0.0° |
| C38 | C44 | C45 | C43 | 179.9° | 179.9° |
| C38 | C44 | C43 | C42 | 0.1° | 0.2° |
| C38 | C44 | C43 | H28 | 179.9° | 179.9° |
| C38 | C44 | C45 | H29 | 179.9° | 180.0° |
| C33 | C42 | C43 | C44 | 0.0° | 0.1° |
| C33 | C42 | C43 | H27 | 180.0° | 180.0° |
| C33 | C42 | C43 | H28 | 180.0° | 180.0° |
| C46 | C45 | C44 | H29 | 180.0° | 180.0° |
| C46 | C45 | C44 | C43 | 180.0° | 179.9° |
| C45 | C46 | C47 | H31 | 179.9° | 180.0° |
| O31 | C30 | C29 | H21 | 120.3° | 120.0° |
| O31 | C30 | C29 | H22 | 120.3° | 120.0° |
| O31 | C30 | C29 | N27 | 164.7° | 65.0° |
| O31 | C30 | C29 | H19 | 44.3° | 175.0° |
| O31 | C30 | C29 | H20 | 75.0° | 55.0° |
| O31 | C30 | H21 | H22 | 119.2° | 120.0° |
| O7 | C6 | C1 | C5 | 179.2° | 180.0° |
| O7 | C6 | C5 | C8 | 16.7° | 0.6° |
| O7 | C6 | C1 | C2 | 154.7° | 157.9° |
| O7 | C6 | C5 | C4 | 171.9° | 179.5° |
| O7 | C6 | C1 | H7 | 85.1° | 37.6° |
| O7 | C6 | C1 | H8 | 34.5° | 81.7° |
| C30 | C29 | N27 | H19 | 120.4° | 120.0° |
| C30 | C29 | N27 | H20 | 120.3° | 120.0° |
| C30 | C29 | N27 | C26 | 64.0° | 180.0° |
| C30 | C29 | H19 | H20 | 119.0° | 120.0° |
| C29 | C30 | H21 | H22 | 119.2° | 120.0° |
| C30 | C29 | N27 | H32 | 116.0° | 0.1° |
| C29 | N27 | C26 | H32 | 180.0° | 179.9° |
| C29 | N27 | C26 | O28 | 1.8° | 0.1° |
| C29 | N27 | C26 | C25 | 179.5° | 180.0° |
| N27 | C29 | H19 | H20 | 118.9° | 120.0° |
| N27 | C29 | C30 | H21 | 75.1° | 175.0° |
| N27 | C29 | C30 | H22 | 44.4° | 55.0° |
| C45 | C44 | C43 | C42 | 180.0° | 179.9° |
| C45 | C44 | C43 | H28 | 0.0° | 0.1° |
| C44 | C45 | C46 | H30 | 179.9° | 180.0° |
| C44 | C43 | C42 | H28 | 180.0° | 179.9° |
| C44 | C43 | C42 | H27 | 180.0° | 179.9° |
| C43 | C44 | C45 | H29 | 0.0° | 0.1° |
| O10 | C8 | C5 | C6 | 14.0° | 66.5° |
| O10 | C8 | C5 | C9 | 178.5° | 180.0° |
| O10 | C8 | C5 | C4 | 174.6° | 113.6° |
| O10 | C8 | C9 | C15 | 85.6° | 5.0° |
| O10 | C8 | C9 | C11 | 89.7° | 174.8° |
| C21 | C15 | C9 | C8 | 3.6° | 0.1° |
| C21 | C15 | C9 | C14 | 179.6° | 179.9° |
| C21 | C15 | C9 | C11 | 178.7° | 180.0° |
| C21 | C15 | C14 | C19 | 0.2° | 0.1° |
| C21 | C15 | C14 | C13 | 179.7° | 179.9° |
| C15 | C21 | H1 | H2 | 120.0° | 120.0° |
| C15 | C21 | H1 | H3 | 120.0° | 120.0° |
| C15 | C21 | H2 | H3 | 120.0° | 120.0° |
| N27 | C26 | O28 | C25 | 177.8° | 179.9° |
| N27 | C26 | C25 | N18 | 68.9° | 180.0° |
| N27 | C26 | C25 | H17 | 52.9° | 59.9° |
| N27 | C26 | C25 | H18 | 169.2° | 60.0° |
| C26 | N27 | C29 | H19 | 56.4° | 59.9° |
| C26 | N27 | C29 | H20 | 175.7° | 60.0° |
| C1 | C6 | C5 | C8 | 164.0° | 179.4° |
| C6 | C1 | C2 | H7 | 120.2° | 120.4° |
| C6 | C1 | C2 | H8 | 120.1° | 120.4° |
| C1 | C6 | C5 | C4 | 7.3° | 0.5° |
| C6 | C1 | C2 | C3 | 59.6° | 53.4° |
| C6 | C1 | H7 | H8 | 119.5° | 119.2° |
| C6 | C1 | C2 | H9 | 179.6° | 173.3° |
| C6 | C1 | C2 | H10 | 60.5° | 66.5° |
| C1 | C6 | O7 | H33 | 170.6° | 175.5° |
| C6 | C5 | C8 | C4 | 171.4° | 179.9° |
| C6 | C5 | C8 | C9 | 164.5° | 113.5° |
| C5 | C6 | C1 | C2 | 26.1° | 22.0° |
| C6 | C5 | C4 | O20 | 172.6° | 168.3° |
| C6 | C5 | C4 | C3 | 7.1° | 11.7° |
| C5 | C6 | C1 | H7 | 94.1° | 142.4° |
| C5 | C6 | C1 | H8 | 146.3° | 98.4° |
| C5 | C6 | O7 | H33 | 10.2° | 4.5° |
| C5 | C8 | C9 | C15 | 95.9° | 175.0° |
| C5 | C8 | C9 | C11 | 88.8° | 5.1° |
| C8 | C5 | C4 | O20 | 16.3° | 11.8° |
| C8 | C5 | C4 | C3 | 164.0° | 168.2° |
| C9 | C8 | C5 | C4 | 6.9° | 66.4° |
| C8 | C9 | C15 | C11 | 175.1° | 179.9° |
| C8 | C9 | C15 | C14 | 176.7° | 180.0° |
| C8 | C9 | C11 | C12 | 177.0° | 179.8° |
| C8 | C9 | C11 | H15 | 3.0° | 0.1° |
| O23 | C19 | C14 | C15 | 0.4° | 0.0° |
| O23 | C19 | C14 | N18 | 179.2° | 180.0° |
| O23 | C19 | C14 | C13 | 179.7° | 180.0° |
| O23 | C19 | N18 | C25 | 1.1° | 0.0° |
| O23 | C19 | N18 | C17 | 179.9° | 179.8° |
| C1 | C2 | C3 | C4 | 58.4° | 63.3° |
| C1 | C2 | C3 | H9 | 120.1° | 119.9° |
| C1 | C2 | C3 | H10 | 120.1° | 120.0° |
| C2 | C1 | H7 | H8 | 119.5° | 119.2° |
| C1 | C2 | H9 | H10 | 119.9° | 120.2° |
| C1 | C2 | C3 | H11 | 178.3° | 56.2° |
| C1 | C2 | C3 | H12 | 61.4° | 177.1° |
| C5 | C4 | O20 | C3 | 179.7° | 180.0° |
| C5 | C4 | C3 | C2 | 25.9° | 42.7° |
| C5 | C4 | C3 | H11 | 145.8° | 76.8° |
| C5 | C4 | C3 | H12 | 93.9° | 162.2° |
| C9 | C15 | C14 | C19 | 179.4° | 180.0° |
| C9 | C15 | C14 | C13 | 0.7° | 0.0° |
| C15 | C9 | C11 | C12 | 1.8° | 0.3° |
| C9 | C15 | C21 | H1 | 89.9° | 88.0° |
| C9 | C15 | C21 | H2 | 150.2° | 152.0° |
| C9 | C15 | C21 | H3 | 30.1° | 32.0° |
| C15 | C9 | C11 | H15 | 178.3° | 180.0° |
| C14 | C15 | C9 | C11 | 1.6° | 0.1° |
| C15 | C14 | C19 | C13 | 179.9° | 180.0° |
| C15 | C14 | C19 | N18 | 179.6° | 180.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.0° |
| C15 | C14 | C13 | N16 | 179.8° | 179.7° |
| C14 | C15 | C21 | H1 | 89.8° | 92.1° |
| C14 | C15 | C21 | H2 | 30.2° | 27.9° |
| C14 | C15 | C21 | H3 | 150.2° | 147.9° |
| C9 | C11 | C12 | H15 | 180.0° | 179.7° |
| C9 | C11 | C12 | C13 | 1.0° | 0.3° |
| C9 | C11 | C12 | H16 | 179.0° | 179.6° |
| O28 | C26 | C25 | N18 | 113.4° | 0.0° |
| O28 | C26 | C25 | H17 | 124.8° | 120.0° |
| O28 | C26 | C25 | H18 | 8.5° | 120.0° |
| O28 | C26 | N27 | H32 | 178.2° | 180.0° |
| C26 | C25 | N18 | C19 | 15.1° | 90.0° |
| C26 | C25 | N18 | H17 | 121.9° | 120.1° |
| C26 | C25 | N18 | H18 | 121.8° | 120.0° |
| C26 | C25 | N18 | C17 | 165.8° | 90.2° |
| C26 | C25 | H17 | H18 | 113.9° | 120.0° |
| C25 | C26 | N27 | H32 | 0.5° | 0.1° |
| C14 | C19 | N18 | C25 | 179.7° | 180.0° |
| C14 | C19 | N18 | C17 | 0.6° | 0.3° |
| C19 | C14 | C13 | C12 | 179.8° | 180.0° |
| C19 | C14 | C13 | N16 | 0.3° | 0.2° |
| N18 | C19 | C14 | C13 | 0.5° | 0.0° |
| C19 | N18 | C25 | C17 | 179.1° | 179.8° |
| C19 | N18 | C17 | N16 | 0.6° | 0.3° |
| C19 | N18 | C17 | O24 | 179.6° | 179.8° |
| C19 | N18 | C25 | H17 | 106.8° | 30.0° |
| C19 | N18 | C25 | H18 | 136.9° | 150.0° |
| C14 | C13 | C12 | C11 | 0.1° | 0.2° |
| C14 | C13 | C12 | N16 | 179.9° | 179.7° |
| C14 | C13 | N16 | C17 | 0.2° | 0.2° |
| C14 | C13 | N16 | C22 | 180.0° | 179.8° |
| C14 | C13 | C12 | H16 | 179.9° | 179.7° |
| O20 | C4 | C3 | C2 | 154.3° | 137.3° |
| O20 | C4 | C3 | H11 | 34.5° | 103.2° |
| O20 | C4 | C3 | H12 | 85.8° | 17.8° |
| C4 | C3 | C2 | H11 | 119.9° | 119.5° |
| C4 | C3 | C2 | H12 | 119.8° | 119.6° |
| C4 | C3 | C2 | H9 | 178.5° | 176.9° |
| C4 | C3 | C2 | H10 | 61.6° | 56.7° |
| C4 | C3 | H11 | H12 | 120.4° | 121.0° |
| C25 | N18 | C17 | N16 | 179.7° | 180.0° |
| C25 | N18 | C17 | O24 | 0.4° | 0.0° |
| N18 | C25 | H17 | H18 | 113.9° | 120.0° |
| C3 | C2 | C1 | H7 | 60.6° | 173.8° |
| C3 | C2 | C1 | H8 | 179.7° | 66.9° |
| C3 | C2 | H9 | H10 | 119.9° | 120.1° |
| C2 | C3 | H11 | H12 | 120.4° | 120.9° |
| N18 | C17 | N16 | C13 | 0.4° | 0.0° |
| N18 | C17 | N16 | O24 | 179.9° | 180.0° |
| N18 | C17 | N16 | C22 | 179.8° | 180.0° |
| C17 | N18 | C25 | H17 | 72.3° | 149.7° |
| C17 | N18 | C25 | H18 | 44.0° | 29.8° |
| C11 | C12 | C13 | H16 | 180.0° | 179.9° |
| C11 | C12 | C13 | N16 | 180.0° | 179.9° |
| C12 | C13 | N16 | C17 | 179.9° | 180.0° |
| C12 | C13 | N16 | C22 | 0.1° | 0.0° |
| C13 | C12 | C11 | H15 | 179.1° | 179.9° |
| C13 | N16 | C17 | C22 | 179.8° | 180.0° |
| C13 | N16 | C17 | O24 | 179.8° | 180.0° |
| C13 | N16 | C22 | H4 | 180.0° | 90.0° |
| C13 | N16 | C22 | H5 | 60.0° | 150.0° |
| C13 | N16 | C22 | H6 | 60.0° | 30.0° |
| N16 | C13 | C12 | H16 | 0.0° | 0.0° |
| C17 | N16 | C22 | H4 | 0.2° | 90.0° |
| C17 | N16 | C22 | H5 | 120.2° | 30.0° |
| C17 | N16 | C22 | H6 | 119.9° | 150.0° |
| O24 | C17 | N16 | C22 | 0.1° | 0.0° |
| N16 | C22 | H4 | H5 | 120.0° | 120.0° |
| N16 | C22 | H4 | H6 | 120.0° | 119.9° |
| N16 | C22 | H5 | H6 | 120.0° | 120.0° |
| H1 | C21 | H2 | H3 | 120.0° | 120.0° |
| H4 | C22 | H5 | H6 | 120.0° | 120.0° |
| H7 | C1 | C2 | H9 | 59.5° | 66.3° |
| H7 | C1 | C2 | H10 | 179.4° | 53.9° |
| H8 | C1 | C2 | H9 | 60.2° | 52.9° |
| H8 | C1 | C2 | H10 | 59.7° | 173.1° |
| H9 | C2 | C3 | H11 | 61.6° | 63.6° |
| H9 | C2 | C3 | H12 | 58.6° | 57.3° |
| H10 | C2 | C3 | H11 | 58.2° | 176.2° |
| H10 | C2 | C3 | H12 | 178.5° | 62.9° |
| H15 | C11 | C12 | H16 | 1.0° | 0.1° |
| H19 | C29 | C30 | H21 | 164.6° | 55.0° |
| H19 | C29 | C30 | H22 | 75.9° | 65.0° |
| H19 | C29 | N27 | H32 | 123.6° | 120.0° |
| H20 | C29 | C30 | H21 | 45.2° | 65.0° |
| H20 | C29 | C30 | H22 | 164.7° | 175.0° |
| H20 | C29 | N27 | H32 | 4.3° | 120.1° |
| H23 | C36 | C37 | H24 | 0.2° | 0.1° |
| H25 | C40 | C41 | H26 | 0.0° | 0.0° |
| H27 | C42 | C43 | H28 | 0.0° | 0.0° |
| H29 | C45 | C46 | H30 | 0.1° | 0.0° |
| H30 | C46 | C47 | H31 | 0.1° | 0.0° |
