6I1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C6 | sing | 1.34Å | 1.36Å | |
| O10 | C8 | doub | 1.22Å | 1.17Å | |
| C21 | C15 | sing | 1.51Å | 1.52Å | |
| C6 | C1 | sing | 1.50Å | 1.49Å | |
| C6 | C5 | doub | 1.37Å | 1.31Å | |
| C8 | C5 | sing | 1.47Å | 1.50Å | |
| C8 | C9 | sing | 1.48Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| O23 | C19 | doub | 1.22Å | 1.15Å | |
| C5 | C4 | sing | 1.47Å | 1.52Å | |
| C15 | C9 | doub | 1.39Å | 1.41Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C11 | sing | 1.40Å | 1.33Å | Aromatic |
| C30 | C31 | doub | 1.32Å | 1.35Å | Aromatic |
| C30 | C29 | sing | 1.47Å | 1.33Å | Aromatic |
| C31 | C32 | sing | 1.47Å | 1.40Å | Aromatic |
| C19 | C14 | sing | 1.47Å | 1.40Å | |
| C19 | N18 | sing | 1.35Å | 1.32Å | |
| O27 | C29 | sing | 1.36Å | 1.39Å | |
| O27 | C26 | sing | 1.34Å | 1.38Å | |
| C14 | C13 | doub | 1.41Å | 1.35Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.52Å | |
| C4 | O20 | doub | 1.21Å | 1.20Å | |
| C29 | C34 | doub | 1.31Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C25 | N18 | sing | 1.46Å | 1.47Å | |
| C25 | C26 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | doub | 1.37Å | 1.34Å | Aromatic |
| N18 | C17 | sing | 1.34Å | 1.37Å | |
| C26 | O28 | doub | 1.21Å | 1.17Å | |
| C32 | C35 | doub | 1.31Å | 1.45Å | Aromatic |
| C32 | C33 | sing | 1.47Å | 1.37Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | N16 | sing | 1.38Å | 1.30Å | |
| C35 | C36 | sing | 1.48Å | 1.52Å | Aromatic |
| C34 | C33 | sing | 1.47Å | 1.43Å | Aromatic |
| C34 | C41 | sing | 1.47Å | 1.34Å | Aromatic |
| C17 | N16 | sing | 1.34Å | 1.32Å | |
| C17 | O24 | doub | 1.22Å | 1.19Å | |
| N16 | C22 | sing | 1.46Å | 1.44Å | |
| C33 | C38 | doub | 1.30Å | 1.38Å | Aromatic |
| C41 | C40 | doub | 1.32Å | 1.36Å | Aromatic |
| C36 | C37 | doub | 1.31Å | 1.45Å | Aromatic |
| C38 | C37 | sing | 1.47Å | 1.37Å | Aromatic |
| C38 | C39 | sing | 1.47Å | 1.40Å | Aromatic |
| C37 | C42 | sing | 1.47Å | 1.41Å | Aromatic |
| C40 | C39 | sing | 1.47Å | 1.36Å | Aromatic |
| C39 | C44 | doub | 1.31Å | 1.40Å | Aromatic |
| C42 | C43 | doub | 1.32Å | 1.34Å | Aromatic |
| C44 | C43 | sing | 1.47Å | 1.34Å | Aromatic |
| 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 | |
| C30 | H19 | sing | 1.08Å | 1.08Å | |
| C31 | H20 | sing | 1.08Å | 1.08Å | |
| C35 | H21 | sing | 1.08Å | 1.08Å | |
| C36 | H22 | sing | 1.08Å | 1.08Å | |
| C40 | H23 | sing | 1.08Å | 1.08Å | |
| C41 | H24 | sing | 1.08Å | 1.08Å | |
| C42 | H25 | sing | 1.08Å | 1.08Å | |
| C43 | H26 | sing | 1.08Å | 1.08Å | |
| C44 | H27 | sing | 1.08Å | 1.08Å | |
| O7 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C6 | C1 | 115.0° | 118.7° |
| O7 | C6 | C5 | 122.7° | 118.7° |
| C6 | O7 | H28 | 109.5° | 117.0° |
| O10 | C8 | C5 | 118.2° | 120.0° |
| O10 | C8 | C9 | 114.4° | 120.0° |
| C21 | C15 | C9 | 118.4° | 120.3° |
| C21 | C15 | C14 | 120.5° | 120.4° |
| C15 | C21 | H1 | 109.5° | 109.4° |
| C15 | C21 | H2 | 109.5° | 109.5° |
| C15 | C21 | H3 | 109.4° | 109.4° |
| C1 | C6 | C5 | 120.8° | 122.6° |
| C6 | C1 | C2 | 108.5° | 111.1° |
| C6 | C1 | H7 | 109.7° | 109.2° |
| C6 | C1 | H8 | 109.7° | 109.1° |
| C6 | C5 | C8 | 119.4° | 120.0° |
| C6 | C5 | C4 | 121.0° | 120.0° |
| C5 | C8 | C9 | 127.3° | 120.0° |
| C8 | C5 | C4 | 119.3° | 120.0° |
| C8 | C9 | C15 | 123.6° | 120.0° |
| C8 | C9 | C11 | 116.1° | 120.0° |
| C1 | C2 | C3 | 105.9° | 109.2° |
| C2 | C1 | H7 | 109.7° | 109.2° |
| C2 | C1 | H8 | 109.7° | 109.2° |
| C1 | C2 | H9 | 110.4° | 109.5° |
| C1 | C2 | H10 | 110.3° | 109.5° |
| O23 | C19 | C14 | 122.6° | 120.9° |
| O23 | C19 | N18 | 116.1° | 120.9° |
| C5 | C4 | C3 | 113.2° | 117.7° |
| C5 | C4 | O20 | 124.5° | 121.2° |
| C9 | C15 | C14 | 121.1° | 119.3° |
| C15 | C9 | C11 | 120.0° | 120.0° |
| C15 | C14 | C19 | 126.9° | 121.6° |
| C15 | C14 | C13 | 116.7° | 120.1° |
| C9 | C11 | C12 | 118.8° | 120.7° |
| C9 | C11 | H15 | 120.6° | 119.7° |
| C31 | C30 | C29 | 122.8° | 122.8° |
| C30 | C31 | C32 | 120.5° | 119.3° |
| C31 | C30 | H19 | 118.6° | 118.6° |
| C30 | C31 | H20 | 119.7° | 120.3° |
| C30 | C29 | O27 | 117.9° | 119.0° |
| C30 | C29 | C34 | 118.2° | 122.0° |
| C29 | C30 | H19 | 118.6° | 118.6° |
| C31 | C32 | C35 | 122.6° | 122.6° |
| C31 | C32 | C33 | 119.7° | 117.7° |
| C32 | C31 | H20 | 119.8° | 120.4° |
| C14 | C19 | N18 | 121.3° | 118.2° |
| C19 | C14 | C13 | 116.4° | 118.3° |
| C19 | N18 | C25 | 121.9° | 119.4° |
| C19 | N18 | C17 | 119.1° | 121.2° |
| C29 | O27 | C26 | 122.9° | 117.0° |
| O27 | C29 | C34 | 123.8° | 119.0° |
| O27 | C26 | C25 | 113.2° | 120.0° |
| O27 | C26 | O28 | 123.3° | 120.0° |
| C14 | C13 | C12 | 120.3° | 119.9° |
| C14 | C13 | N16 | 121.6° | 118.7° |
| C3 | C4 | O20 | 122.2° | 121.1° |
| C4 | C3 | C2 | 109.5° | 107.5° |
| C4 | C3 | H11 | 109.5° | 109.8° |
| C4 | C3 | H12 | 109.5° | 109.9° |
| C29 | C34 | C33 | 121.0° | 119.1° |
| C29 | C34 | C41 | 118.4° | 121.9° |
| C3 | C2 | H9 | 110.4° | 109.5° |
| C3 | C2 | H10 | 110.4° | 109.5° |
| C2 | C3 | H11 | 109.5° | 109.9° |
| C2 | C3 | H12 | 109.4° | 109.9° |
| N18 | C25 | C26 | 120.5° | 109.5° |
| C25 | N18 | C17 | 119.0° | 119.4° |
| N18 | C25 | H17 | 106.7° | 109.4° |
| N18 | C25 | H18 | 106.7° | 109.4° |
| C25 | C26 | O28 | 123.5° | 120.0° |
| C26 | C25 | H17 | 106.6° | 109.5° |
| C26 | C25 | H18 | 106.6° | 109.5° |
| C11 | C12 | C13 | 123.0° | 120.1° |
| C12 | C11 | H15 | 120.6° | 119.6° |
| C11 | C12 | H16 | 118.4° | 120.0° |
| N18 | C17 | N16 | 119.3° | 122.9° |
| N18 | C17 | O24 | 124.2° | 118.6° |
| C35 | C32 | C33 | 117.6° | 119.8° |
| C32 | C35 | C36 | 118.9° | 120.0° |
| C32 | C35 | H21 | 120.5° | 120.0° |
| C32 | C33 | C34 | 117.7° | 119.1° |
| C32 | C33 | C38 | 123.0° | 120.3° |
| C12 | C13 | N16 | 118.1° | 121.4° |
| C13 | C12 | H16 | 118.5° | 119.9° |
| C13 | N16 | C17 | 122.3° | 120.7° |
| C13 | N16 | C22 | 117.2° | 119.7° |
| C35 | C36 | C37 | 118.8° | 120.0° |
| C36 | C35 | H21 | 120.5° | 120.0° |
| C35 | C36 | H22 | 120.6° | 120.0° |
| C33 | C34 | C41 | 120.6° | 119.1° |
| C34 | C33 | C38 | 119.2° | 120.6° |
| C34 | C41 | C40 | 120.0° | 120.3° |
| C34 | C41 | H24 | 120.0° | 119.8° |
| N16 | C17 | O24 | 116.5° | 118.6° |
| C17 | N16 | C22 | 120.3° | 119.6° |
| N16 | C22 | H4 | 109.5° | 109.5° |
| N16 | C22 | H5 | 109.5° | 109.5° |
| N16 | C22 | H6 | 109.5° | 109.5° |
| C33 | C38 | C37 | 125.0° | 120.2° |
| C33 | C38 | C39 | 117.9° | 120.6° |
| C41 | C40 | C39 | 121.0° | 120.3° |
| C41 | C40 | H23 | 119.5° | 119.8° |
| C40 | C41 | H24 | 120.0° | 119.9° |
| C36 | C37 | C38 | 116.6° | 119.8° |
| C36 | C37 | C42 | 121.9° | 122.6° |
| C37 | C36 | H22 | 120.6° | 120.0° |
| C37 | C38 | C39 | 117.2° | 119.2° |
| C38 | C37 | C42 | 121.5° | 117.6° |
| C38 | C39 | C40 | 121.2° | 119.1° |
| C38 | C39 | C44 | 119.8° | 119.0° |
| C37 | C42 | C43 | 120.0° | 119.4° |
| C37 | C42 | H25 | 120.0° | 120.3° |
| C40 | C39 | C44 | 119.0° | 121.9° |
| C39 | C40 | H23 | 119.5° | 119.9° |
| C39 | C44 | C43 | 121.5° | 122.1° |
| C39 | C44 | H27 | 119.2° | 119.0° |
| C42 | C43 | C44 | 120.0° | 122.8° |
| C43 | C42 | H25 | 120.0° | 120.3° |
| C42 | C43 | H26 | 120.0° | 118.6° |
| C44 | C43 | H26 | 120.0° | 118.6° |
| C43 | C44 | H27 | 119.2° | 119.0° |
| H1 | C21 | H2 | 109.5° | 109.5° |
| H1 | C21 | H3 | 109.5° | 109.4° |
| H2 | C21 | H3 | 109.4° | 109.5° |
| H4 | C22 | H5 | 109.5° | 109.5° |
| H4 | C22 | H6 | 109.5° | 109.4° |
| H5 | C22 | H6 | 109.5° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.1° |
| H9 | C2 | H10 | 109.5° | 109.6° |
| H11 | C3 | H12 | 109.5° | 109.8° |
| H17 | C25 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C6 | C1 | C5 | 166.4° | 179.9° |
| O7 | C6 | C5 | C8 | 0.5° | 0.6° |
| O7 | C6 | C1 | C2 | 146.1° | 157.9° |
| O7 | C6 | C5 | C4 | 173.2° | 179.4° |
| O7 | C6 | C1 | H7 | 94.0° | 37.5° |
| O7 | C6 | C1 | H8 | 26.3° | 81.7° |
| O10 | C8 | C5 | C6 | 5.3° | 68.9° |
| O10 | C8 | C5 | C9 | 175.8° | 179.9° |
| O10 | C8 | C5 | C4 | 168.5° | 111.1° |
| O10 | C8 | C9 | C15 | 76.6° | 5.4° |
| O10 | C8 | C9 | C11 | 97.5° | 174.5° |
| C21 | C15 | C9 | C8 | 6.8° | 0.1° |
| C21 | C15 | C9 | C14 | 178.6° | 179.8° |
| C21 | C15 | C9 | C11 | 179.3° | 180.0° |
| C21 | C15 | C14 | C19 | 0.7° | 0.2° |
| C21 | C15 | C14 | C13 | 179.1° | 179.8° |
| C15 | C21 | H1 | H2 | 120.0° | 120.0° |
| C15 | C21 | H1 | H3 | 120.0° | 119.9° |
| C15 | C21 | H2 | H3 | 120.0° | 120.0° |
| C1 | C6 | C5 | C8 | 164.8° | 179.5° |
| C6 | C1 | C2 | H7 | 119.8° | 120.4° |
| C6 | C1 | C2 | H8 | 119.8° | 120.3° |
| C1 | C6 | C5 | C4 | 21.5° | 0.5° |
| C6 | C1 | C2 | C3 | 63.2° | 53.4° |
| C6 | C1 | H7 | H8 | 120.5° | 119.2° |
| C6 | C1 | C2 | H9 | 177.4° | 173.3° |
| C6 | C1 | C2 | H10 | 56.2° | 66.5° |
| C1 | C6 | O7 | H28 | 167.9° | 178.1° |
| C6 | C5 | C8 | C4 | 173.8° | 180.0° |
| C6 | C5 | C8 | C9 | 170.5° | 111.0° |
| C5 | C6 | C1 | C2 | 20.3° | 22.0° |
| C6 | C5 | C4 | C3 | 18.0° | 11.8° |
| C6 | C5 | C4 | O20 | 162.3° | 168.2° |
| C5 | C6 | C1 | H7 | 99.6° | 142.4° |
| C5 | C6 | C1 | H8 | 140.1° | 98.4° |
| C5 | C6 | O7 | H28 | 1.8° | 1.9° |
| C5 | C8 | C9 | C15 | 107.4° | 174.7° |
| C5 | C8 | C9 | C11 | 78.5° | 5.4° |
| C8 | C5 | C4 | C3 | 168.2° | 168.2° |
| C8 | C5 | C4 | O20 | 11.5° | 11.8° |
| C9 | C8 | C5 | C4 | 15.6° | 68.9° |
| C8 | C9 | C15 | C11 | 173.9° | 179.9° |
| C8 | C9 | C15 | C14 | 174.6° | 179.9° |
| C8 | C9 | C11 | C12 | 175.0° | 179.7° |
| C8 | C9 | C11 | H15 | 5.0° | 0.1° |
| C1 | C2 | C3 | C4 | 66.2° | 63.2° |
| C1 | C2 | C3 | H9 | 119.5° | 119.9° |
| C1 | C2 | C3 | H10 | 119.4° | 119.9° |
| C2 | C1 | H7 | H8 | 120.5° | 119.3° |
| C1 | C2 | H9 | H10 | 121.7° | 120.1° |
| C1 | C2 | C3 | H11 | 173.8° | 56.2° |
| C1 | C2 | C3 | H12 | 53.8° | 177.2° |
| O23 | C19 | C14 | C15 | 1.1° | 0.0° |
| O23 | C19 | C14 | N18 | 179.9° | 180.0° |
| O23 | C19 | C14 | C13 | 178.7° | 180.0° |
| O23 | C19 | N18 | C25 | 1.0° | 0.0° |
| O23 | C19 | N18 | C17 | 178.4° | 179.8° |
| C5 | C4 | C3 | O20 | 179.7° | 180.0° |
| C5 | C4 | C3 | C2 | 26.5° | 42.7° |
| C5 | C4 | C3 | H11 | 146.5° | 76.8° |
| C5 | C4 | C3 | H12 | 93.5° | 162.2° |
| C9 | C15 | C14 | C19 | 179.3° | 180.0° |
| C9 | C15 | C14 | C13 | 0.5° | 0.0° |
| C15 | C9 | C11 | C12 | 0.7° | 0.4° |
| C9 | C15 | C21 | H1 | 89.3° | 85.6° |
| C9 | C15 | C21 | H2 | 150.7° | 154.3° |
| C9 | C15 | C21 | H3 | 30.7° | 34.3° |
| C15 | C9 | C11 | H15 | 179.3° | 180.0° |
| C14 | C15 | C9 | C11 | 0.7° | 0.2° |
| C15 | C14 | C19 | C13 | 179.8° | 180.0° |
| C15 | C14 | C19 | N18 | 178.9° | 180.0° |
| C15 | C14 | C13 | C12 | 0.3° | 0.1° |
| C15 | C14 | C13 | N16 | 179.2° | 179.8° |
| C14 | C15 | C21 | H1 | 89.2° | 94.6° |
| C14 | C15 | C21 | H2 | 30.8° | 25.5° |
| C14 | C15 | C21 | H3 | 150.7° | 145.5° |
| C9 | C11 | C12 | H15 | 180.0° | 179.7° |
| C9 | C11 | C12 | C13 | 0.5° | 0.4° |
| C9 | C11 | C12 | H16 | 179.5° | 179.6° |
| C31 | C30 | C29 | H19 | 180.0° | 180.0° |
| C30 | C31 | C32 | H20 | 180.0° | 179.9° |
| C31 | C30 | C29 | O27 | 179.7° | 179.7° |
| C31 | C30 | C29 | C34 | 0.8° | 0.0° |
| C30 | C31 | C32 | C35 | 178.9° | 180.0° |
| C30 | C31 | C32 | C33 | 3.1° | 0.1° |
| C29 | C30 | C31 | C32 | 2.3° | 0.1° |
| C30 | C29 | O27 | C34 | 178.8° | 179.7° |
| C30 | C29 | O27 | C26 | 135.9° | 99.3° |
| C30 | C29 | C34 | C33 | 0.2° | 0.0° |
| C30 | C29 | C34 | C41 | 179.2° | 180.0° |
| C29 | C30 | C31 | H20 | 177.7° | 180.0° |
| C31 | C32 | C35 | C33 | 178.0° | 180.0° |
| C31 | C32 | C35 | C36 | 177.8° | 179.9° |
| C31 | C32 | C33 | C34 | 2.5° | 0.0° |
| C31 | C32 | C33 | C38 | 178.5° | 180.0° |
| C32 | C31 | C30 | H19 | 177.7° | 180.0° |
| C31 | C32 | C35 | H21 | 2.2° | 0.0° |
| C14 | C19 | N18 | C25 | 179.0° | 180.0° |
| C14 | C19 | N18 | C17 | 1.7° | 0.2° |
| C19 | C14 | C13 | C12 | 179.5° | 179.9° |
| C19 | C14 | C13 | N16 | 0.6° | 0.3° |
| N18 | C19 | C14 | C13 | 1.4° | 0.0° |
| C19 | N18 | C25 | C17 | 179.4° | 179.8° |
| C19 | N18 | C25 | C26 | 73.9° | 90.0° |
| C19 | N18 | C17 | N16 | 0.0° | 0.2° |
| C19 | N18 | C17 | O24 | 176.4° | 179.8° |
| C19 | N18 | C25 | H17 | 164.6° | 30.0° |
| C19 | N18 | C25 | H18 | 47.7° | 150.0° |
| C29 | O27 | C26 | C25 | 157.5° | 175.0° |
| C29 | O27 | C26 | O28 | 24.2° | 4.9° |
| O27 | C29 | C34 | C33 | 179.1° | 179.7° |
| O27 | C29 | C34 | C41 | 0.4° | 0.3° |
| O27 | C29 | C30 | H19 | 0.2° | 0.3° |
| C26 | O27 | C29 | C34 | 45.2° | 80.4° |
| O27 | C26 | C25 | N18 | 138.6° | 180.0° |
| O27 | C26 | C25 | O28 | 178.3° | 180.0° |
| O27 | C26 | C25 | H17 | 99.9° | 60.0° |
| O27 | C26 | C25 | H18 | 17.0° | 60.0° |
| C14 | C13 | C12 | C11 | 0.3° | 0.3° |
| C14 | C13 | C12 | N16 | 178.9° | 179.6° |
| C14 | C13 | N16 | C17 | 2.3° | 0.3° |
| C14 | C13 | N16 | C22 | 178.8° | 179.8° |
| C14 | C13 | C12 | H16 | 179.7° | 179.8° |
| C4 | C3 | C2 | H11 | 120.0° | 119.4° |
| C4 | C3 | C2 | H12 | 120.0° | 119.6° |
| C4 | C3 | C2 | H9 | 174.3° | 176.9° |
| C4 | C3 | C2 | H10 | 53.2° | 56.7° |
| C4 | C3 | H11 | H12 | 120.0° | 121.0° |
| O20 | C4 | C3 | C2 | 153.2° | 137.3° |
| O20 | C4 | C3 | H11 | 33.2° | 103.2° |
| O20 | C4 | C3 | H12 | 86.8° | 17.7° |
| C29 | C34 | C33 | C32 | 1.1° | 0.0° |
| C29 | C34 | C33 | C41 | 179.4° | 180.0° |
| C29 | C34 | C33 | C38 | 179.9° | 180.0° |
| C29 | C34 | C41 | C40 | 179.0° | 180.0° |
| C34 | C29 | C30 | H19 | 179.1° | 180.0° |
| C29 | C34 | C41 | H24 | 1.0° | 0.0° |
| C3 | C2 | C1 | H7 | 56.7° | 173.8° |
| C3 | C2 | C1 | H8 | 177.0° | 66.9° |
| C3 | C2 | H9 | H10 | 121.7° | 120.1° |
| C2 | C3 | H11 | H12 | 120.0° | 121.0° |
| N18 | C25 | C26 | H17 | 121.5° | 120.0° |
| N18 | C25 | C26 | H18 | 121.5° | 120.0° |
| N18 | C25 | C26 | O28 | 39.7° | 0.0° |
| C25 | N18 | C17 | N16 | 179.4° | 180.0° |
| C25 | N18 | C17 | O24 | 3.0° | 0.0° |
| N18 | C25 | H17 | H18 | 115.0° | 120.0° |
| C26 | C25 | N18 | C17 | 105.5° | 90.2° |
| C26 | C25 | H17 | H18 | 115.0° | 120.1° |
| C11 | C12 | C13 | H16 | 180.0° | 179.9° |
| C11 | C12 | C13 | N16 | 179.2° | 179.9° |
| N18 | C17 | N16 | C13 | 2.0° | 0.0° |
| N18 | C17 | N16 | O24 | 176.7° | 180.0° |
| N18 | C17 | N16 | C22 | 178.4° | 180.0° |
| C17 | N18 | C25 | H17 | 16.0° | 149.8° |
| C17 | N18 | C25 | H18 | 133.0° | 29.8° |
| O28 | C26 | C25 | H17 | 81.8° | 120.0° |
| O28 | C26 | C25 | H18 | 161.3° | 120.0° |
| C32 | C35 | C36 | H21 | 180.0° | 180.0° |
| C35 | C32 | C33 | C34 | 179.5° | 180.0° |
| C35 | C32 | C33 | C38 | 0.5° | 0.0° |
| C32 | C35 | C36 | C37 | 1.2° | 0.1° |
| C35 | C32 | C31 | H20 | 1.1° | 0.1° |
| C32 | C35 | C36 | H22 | 178.8° | 179.9° |
| C33 | C32 | C35 | C36 | 0.2° | 0.0° |
| C32 | C33 | C34 | C38 | 179.0° | 180.0° |
| C32 | C33 | C34 | C41 | 178.3° | 180.0° |
| C32 | C33 | C38 | C37 | 0.0° | 0.0° |
| C32 | C33 | C38 | C39 | 178.4° | 180.0° |
| C33 | C32 | C31 | H20 | 176.9° | 180.0° |
| C33 | C32 | C35 | H21 | 179.8° | 180.0° |
| C12 | C13 | N16 | C17 | 178.8° | 179.9° |
| C12 | C13 | N16 | C22 | 2.3° | 0.1° |
| C13 | C12 | C11 | H15 | 179.5° | 179.9° |
| C13 | N16 | C17 | C22 | 176.5° | 179.9° |
| C13 | N16 | C17 | O24 | 178.6° | 179.9° |
| 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 | 0.8° | 0.1° |
| C35 | C36 | C37 | H22 | 180.0° | 179.9° |
| C35 | C36 | C37 | C38 | 1.6° | 0.1° |
| C35 | C36 | C37 | C42 | 178.9° | 179.9° |
| C33 | C34 | C41 | C40 | 1.5° | 0.0° |
| C34 | C33 | C38 | C37 | 179.0° | 180.0° |
| C34 | C33 | C38 | C39 | 0.5° | 0.0° |
| C33 | C34 | C41 | H24 | 178.5° | 180.0° |
| C41 | C34 | C33 | C38 | 0.7° | 0.0° |
| C34 | C41 | C40 | H24 | 180.0° | 180.0° |
| C34 | C41 | C40 | C39 | 2.2° | 0.0° |
| C34 | C41 | C40 | H23 | 177.8° | 179.9° |
| C17 | N16 | C22 | H4 | 3.4° | 90.1° |
| C17 | N16 | C22 | H5 | 123.4° | 30.0° |
| C17 | N16 | C22 | H6 | 116.7° | 150.0° |
| O24 | C17 | N16 | C22 | 4.9° | 0.0° |
| N16 | C22 | H4 | H5 | 120.0° | 120.1° |
| N16 | C22 | H4 | H6 | 120.0° | 120.0° |
| N16 | C22 | H5 | H6 | 120.0° | 120.0° |
| C33 | C38 | C37 | C36 | 1.0° | 0.0° |
| C33 | C38 | C37 | C39 | 178.5° | 180.0° |
| C33 | C38 | C37 | C42 | 179.5° | 180.0° |
| C33 | C38 | C39 | C40 | 1.2° | 0.1° |
| C33 | C38 | C39 | C44 | 179.5° | 180.0° |
| C41 | C40 | C39 | C38 | 2.1° | 0.1° |
| C41 | C40 | C39 | H23 | 180.0° | 179.9° |
| C41 | C40 | C39 | C44 | 178.7° | 180.0° |
| C36 | C37 | C38 | C42 | 179.5° | 180.0° |
| C36 | C37 | C38 | C39 | 179.5° | 180.0° |
| C36 | C37 | C42 | C43 | 179.3° | 179.9° |
| C37 | C36 | C35 | H21 | 178.8° | 180.0° |
| C36 | C37 | C42 | H25 | 0.7° | 0.1° |
| C37 | C38 | C39 | C40 | 179.8° | 179.9° |
| C37 | C38 | C39 | C44 | 0.9° | 0.0° |
| C38 | C37 | C42 | C43 | 0.1° | 0.1° |
| C38 | C37 | C36 | H22 | 178.4° | 180.0° |
| C38 | C37 | C42 | H25 | 179.9° | 180.0° |
| C39 | C38 | C37 | C42 | 1.0° | 0.0° |
| C38 | C39 | C40 | C44 | 179.2° | 180.0° |
| C38 | C39 | C44 | C43 | 0.2° | 0.1° |
| C38 | C39 | C40 | H23 | 177.9° | 180.0° |
| C38 | C39 | C44 | H27 | 179.8° | 179.9° |
| C37 | C42 | C43 | H25 | 180.0° | 180.0° |
| C37 | C42 | C43 | C44 | 1.3° | 0.1° |
| C42 | C37 | C36 | H22 | 1.1° | 0.1° |
| C37 | C42 | C43 | H26 | 178.7° | 180.0° |
| C40 | C39 | C44 | C43 | 179.0° | 179.9° |
| C39 | C40 | C41 | H24 | 177.8° | 180.0° |
| C40 | C39 | C44 | H27 | 1.0° | 0.0° |
| C39 | C44 | C43 | C42 | 1.4° | 0.1° |
| C39 | C44 | C43 | H27 | 180.0° | 179.9° |
| C44 | C39 | C40 | H23 | 1.3° | 0.1° |
| C39 | C44 | C43 | H26 | 178.6° | 180.0° |
| C42 | C43 | C44 | H26 | 180.0° | 179.9° |
| C42 | C43 | C44 | H27 | 178.6° | 180.0° |
| C44 | C43 | C42 | H25 | 178.7° | 179.9° |
| H1 | C21 | H2 | H3 | 120.0° | 120.0° |
| H4 | C22 | H5 | H6 | 120.0° | 119.9° |
| H7 | C1 | C2 | H9 | 62.8° | 66.3° |
| H7 | C1 | C2 | H10 | 176.1° | 53.9° |
| H8 | C1 | C2 | H9 | 57.5° | 53.0° |
| H8 | C1 | C2 | H10 | 63.6° | 173.1° |
| H9 | C2 | C3 | H11 | 54.3° | 63.7° |
| H9 | C2 | C3 | H12 | 65.7° | 57.3° |
| H10 | C2 | C3 | H11 | 66.8° | 176.2° |
| H10 | C2 | C3 | H12 | 173.2° | 62.9° |
| H15 | C11 | C12 | H16 | 0.5° | 0.0° |
| H19 | C30 | C31 | H20 | 2.3° | 0.0° |
| H21 | C35 | C36 | H22 | 1.2° | 0.1° |
| H23 | C40 | C41 | H24 | 2.2° | 0.1° |
| H25 | C42 | C43 | H26 | 1.3° | 0.0° |
| H26 | C43 | C44 | H27 | 1.4° | 0.1° |
