6EF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.37Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C33 | sing | 1.51Å | 1.51Å | |
| C19 | N32 | sing | 1.40Å | 1.42Å | |
| C33 | C31 | sing | 1.53Å | 1.52Å | |
| C25 | O30 | sing | 1.43Å | 1.44Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| O30 | C29 | sing | 1.43Å | 1.44Å | |
| N32 | C | sing | 1.35Å | 1.38Å | |
| N37 | C36 | sing | 1.35Å | 1.36Å | |
| N37 | C39 | sing | 1.47Å | 1.44Å | |
| C29 | C31 | sing | 1.53Å | 1.51Å | |
| C29 | C28 | sing | 1.53Å | 1.51Å | |
| C26 | N27 | sing | 1.47Å | 1.49Å | |
| C26 | C34 | sing | 1.53Å | 1.51Å | |
| C36 | O35 | sing | 1.35Å | 1.34Å | |
| C36 | O38 | doub | 1.22Å | 1.22Å | |
| C39 | C40 | sing | 1.51Å | 1.49Å | |
| O35 | C34 | sing | 1.45Å | 1.41Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C | C1 | sing | 1.51Å | 1.50Å | |
| N27 | C28 | sing | 1.47Å | 1.50Å | |
| O4 | C2 | doub | 1.21Å | 1.22Å | |
| C5 | O3 | sing | 1.45Å | 1.42Å | |
| C2 | O3 | sing | 1.35Å | 1.37Å | |
| C2 | N | sing | 1.35Å | 1.38Å | |
| C1 | N | sing | 1.47Å | 1.46Å | |
| C1 | C6 | sing | 1.53Å | 1.53Å | |
| C40 | C41 | doub | 1.38Å | 1.38Å | Aromatic |
| C40 | C45 | sing | 1.38Å | 1.37Å | Aromatic |
| C41 | C42 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C45 | C44 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C8 | sing | 1.51Å | 1.50Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | doub | 1.38Å | 1.37Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C42 | C43 | doub | 1.38Å | 1.37Å | Aromatic |
| C44 | C43 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| N | H13 | sing | 0.97Å | 1.00Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.08Å | 1.08Å | |
| C24 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| N27 | H24 | sing | 1.01Å | 1.00Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| N32 | H31 | sing | 0.97Å | 1.00Å | |
| C33 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H35 | sing | 1.09Å | 1.10Å | |
| C39 | H36 | sing | 1.09Å | 1.10Å | |
| C41 | H37 | sing | 1.08Å | 1.08Å | |
| C42 | H38 | sing | 1.08Å | 1.08Å | |
| C43 | H39 | sing | 1.08Å | 1.08Å | |
| C44 | H40 | sing | 1.08Å | 1.08Å | |
| C45 | H41 | sing | 1.08Å | 1.08Å | |
| N37 | H25 | sing | 0.97Å | 1.00Å | |
| C39 | H42 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C21 | 120.7° | 120.1° |
| C22 | C23 | C24 | 119.9° | 120.1° |
| C23 | C22 | H12 | 119.7° | 120.0° |
| C22 | C23 | H19 | 120.0° | 119.9° |
| C22 | C21 | C20 | 120.6° | 120.1° |
| C22 | C21 | H11 | 119.7° | 120.0° |
| C21 | C22 | H12 | 119.7° | 119.9° |
| C23 | C24 | C19 | 119.5° | 119.9° |
| C24 | C23 | H19 | 120.1° | 120.0° |
| C23 | C24 | H20 | 120.3° | 120.1° |
| C21 | C20 | C19 | 118.7° | 119.9° |
| C21 | C20 | C33 | 117.3° | 120.0° |
| C20 | C21 | H11 | 119.7° | 120.0° |
| C24 | C19 | C20 | 120.6° | 119.8° |
| C24 | C19 | N32 | 118.9° | 120.1° |
| C19 | C24 | H20 | 120.2° | 120.0° |
| C19 | C20 | C33 | 124.0° | 120.0° |
| C20 | C19 | N32 | 120.5° | 120.1° |
| C20 | C33 | C31 | 104.4° | 109.5° |
| C20 | C33 | H32 | 110.7° | 109.5° |
| C20 | C33 | H33 | 110.7° | 109.5° |
| C19 | N32 | C | 121.7° | 120.0° |
| C19 | N32 | H31 | 119.2° | 120.0° |
| C33 | C31 | C29 | 110.9° | 109.4° |
| C33 | C31 | H29 | 109.1° | 109.5° |
| C33 | C31 | H30 | 109.1° | 109.5° |
| C31 | C33 | H32 | 110.7° | 109.5° |
| C31 | C33 | H33 | 110.7° | 109.5° |
| O30 | C25 | C26 | 111.6° | 109.3° |
| C25 | O30 | C29 | 108.2° | 113.7° |
| O30 | C25 | H21 | 108.9° | 109.5° |
| O30 | C25 | H22 | 108.9° | 109.6° |
| C25 | C26 | N27 | 109.3° | 109.2° |
| C25 | C26 | C34 | 111.1° | 109.5° |
| C26 | C25 | H21 | 109.0° | 109.5° |
| C26 | C25 | H22 | 108.9° | 109.5° |
| C25 | C26 | H23 | 109.5° | 109.5° |
| O30 | C29 | C31 | 107.1° | 109.5° |
| O30 | C29 | C28 | 108.5° | 109.2° |
| O30 | C29 | H28 | 112.4° | 109.6° |
| N32 | C | O | 124.5° | 120.0° |
| N32 | C | C1 | 112.5° | 120.0° |
| C | N32 | H31 | 119.2° | 120.0° |
| C36 | N37 | C39 | 120.8° | 120.0° |
| N37 | C36 | O35 | 109.5° | 120.0° |
| N37 | C36 | O38 | 125.9° | 120.0° |
| C36 | N37 | H25 | 119.6° | 120.0° |
| N37 | C39 | C40 | 115.6° | 109.5° |
| N37 | C39 | H36 | 107.9° | 109.4° |
| C39 | N37 | H25 | 119.6° | 120.0° |
| N37 | C39 | H42 | 107.9° | 109.4° |
| C31 | C29 | C28 | 105.9° | 109.5° |
| C31 | C29 | H28 | 111.3° | 109.6° |
| C29 | C31 | H29 | 109.1° | 109.5° |
| C29 | C31 | H30 | 109.1° | 109.5° |
| C29 | C28 | N27 | 109.7° | 109.3° |
| C29 | C28 | H26 | 109.4° | 109.5° |
| C29 | C28 | H27 | 109.4° | 109.5° |
| C28 | C29 | H28 | 111.3° | 109.5° |
| N27 | C26 | C34 | 107.1° | 109.5° |
| C26 | N27 | C28 | 114.6° | 110.8° |
| N27 | C26 | H23 | 110.0° | 109.5° |
| C26 | N27 | H24 | 108.2° | 111.0° |
| C26 | C34 | O35 | 101.3° | 109.5° |
| C34 | C26 | H23 | 109.8° | 109.6° |
| C26 | C34 | H34 | 111.5° | 109.5° |
| C26 | C34 | H35 | 111.5° | 109.5° |
| O35 | C36 | O38 | 124.5° | 120.0° |
| C36 | O35 | C34 | 116.2° | 117.0° |
| C39 | C40 | C41 | 124.1° | 120.0° |
| C39 | C40 | C45 | 117.7° | 120.0° |
| C40 | C39 | H36 | 107.9° | 109.5° |
| C40 | C39 | H42 | 107.9° | 109.5° |
| O35 | C34 | H34 | 111.4° | 109.5° |
| O35 | C34 | H35 | 111.5° | 109.4° |
| O | C | C1 | 123.1° | 120.0° |
| C | C1 | N | 103.8° | 109.5° |
| C | C1 | C6 | 109.7° | 109.5° |
| C | C1 | H14 | 110.4° | 109.4° |
| C28 | N27 | H24 | 108.2° | 111.0° |
| N27 | C28 | H26 | 109.4° | 109.5° |
| N27 | C28 | H27 | 109.4° | 109.6° |
| O4 | C2 | O3 | 125.1° | 120.0° |
| O4 | C2 | N | 124.4° | 120.0° |
| C5 | O3 | C2 | 113.7° | 117.0° |
| O3 | C5 | H1 | 109.5° | 109.5° |
| O3 | C5 | H2 | 109.4° | 109.5° |
| O3 | C5 | H3 | 109.5° | 109.5° |
| O3 | C2 | N | 110.5° | 120.0° |
| C2 | N | C1 | 121.3° | 120.0° |
| C2 | N | H13 | 119.4° | 120.0° |
| N | C1 | C6 | 111.8° | 109.5° |
| C1 | N | H13 | 119.3° | 120.0° |
| N | C1 | H14 | 111.1° | 109.5° |
| C1 | C6 | C8 | 115.2° | 109.5° |
| C1 | C6 | C7 | 114.3° | 109.5° |
| C6 | C1 | H14 | 110.0° | 109.5° |
| C1 | C6 | H15 | 105.7° | 109.4° |
| C41 | C40 | C45 | 118.3° | 120.0° |
| C40 | C41 | C42 | 123.4° | 120.0° |
| C40 | C41 | H37 | 118.3° | 120.1° |
| C40 | C45 | C44 | 118.5° | 120.0° |
| C40 | C45 | H41 | 120.8° | 120.0° |
| C41 | C42 | C43 | 117.8° | 120.0° |
| C42 | C41 | H37 | 118.3° | 120.0° |
| C41 | C42 | H38 | 121.1° | 120.1° |
| C12 | C13 | C8 | 120.5° | 120.0° |
| C13 | C12 | C11 | 119.9° | 120.1° |
| C13 | C12 | H7 | 120.1° | 120.0° |
| C12 | C13 | H8 | 119.8° | 120.0° |
| C13 | C8 | C6 | 123.1° | 120.0° |
| C13 | C8 | C9 | 118.8° | 120.0° |
| C8 | C13 | H8 | 119.7° | 120.0° |
| C45 | C44 | C43 | 122.7° | 120.0° |
| C45 | C44 | H40 | 118.7° | 120.0° |
| C44 | C45 | H41 | 120.8° | 120.0° |
| C12 | C11 | C10 | 120.0° | 120.0° |
| C12 | C11 | H6 | 120.0° | 120.1° |
| C11 | C12 | H7 | 120.1° | 120.0° |
| C8 | C6 | C7 | 108.9° | 109.5° |
| C6 | C8 | C9 | 118.1° | 120.0° |
| C8 | C6 | H15 | 106.0° | 109.5° |
| C6 | C7 | C14 | 122.5° | 120.0° |
| C6 | C7 | C18 | 118.0° | 120.0° |
| C7 | C6 | H15 | 105.9° | 109.5° |
| C8 | C9 | C10 | 121.3° | 120.0° |
| C8 | C9 | H4 | 119.4° | 120.0° |
| C11 | C10 | C9 | 119.5° | 120.0° |
| C11 | C10 | H5 | 120.2° | 120.0° |
| C10 | C11 | H6 | 120.0° | 120.0° |
| C10 | C9 | H4 | 119.4° | 120.0° |
| C9 | C10 | H5 | 120.2° | 120.0° |
| C42 | C43 | C44 | 119.3° | 120.0° |
| C43 | C42 | H38 | 121.1° | 119.9° |
| C42 | C43 | H39 | 120.3° | 120.0° |
| C44 | C43 | H39 | 120.3° | 120.0° |
| C43 | C44 | H40 | 118.7° | 120.0° |
| C14 | C7 | C18 | 119.5° | 120.0° |
| C7 | C14 | C15 | 120.9° | 120.0° |
| C7 | C14 | H16 | 119.6° | 120.0° |
| C7 | C18 | C17 | 119.8° | 120.0° |
| C7 | C18 | H10 | 120.1° | 120.0° |
| C14 | C15 | C16 | 119.0° | 120.0° |
| C14 | C15 | H9 | 120.5° | 120.0° |
| C15 | C14 | H16 | 119.6° | 120.0° |
| C18 | C17 | C16 | 120.3° | 120.0° |
| C17 | C18 | H10 | 120.1° | 120.0° |
| C18 | C17 | H18 | 119.9° | 120.0° |
| C15 | C16 | C17 | 120.5° | 120.0° |
| C16 | C15 | H9 | 120.5° | 120.0° |
| C15 | C16 | H17 | 119.7° | 120.0° |
| C17 | C16 | H17 | 119.8° | 120.0° |
| C16 | C17 | H18 | 119.9° | 120.0° |
| H1 | C5 | H2 | 109.5° | 109.4° |
| H1 | C5 | H3 | 109.5° | 109.5° |
| H2 | C5 | H3 | 109.5° | 109.5° |
| H21 | C25 | H22 | 109.5° | 109.5° |
| H26 | C28 | H27 | 109.5° | 109.5° |
| H29 | C31 | H30 | 109.5° | 109.5° |
| H32 | C33 | H33 | 109.5° | 109.4° |
| H34 | C34 | H35 | 109.5° | 109.5° |
| H36 | C39 | H42 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C21 | H12 | 180.0° | 180.0° |
| C22 | C23 | C24 | H19 | 180.0° | 179.7° |
| C23 | C22 | C21 | C20 | 0.5° | 0.0° |
| C22 | C23 | C24 | C19 | 0.2° | 0.5° |
| C23 | C22 | C21 | H11 | 179.5° | 180.0° |
| C22 | C23 | C24 | H20 | 179.8° | 180.0° |
| C21 | C22 | C23 | C24 | 0.4° | 0.3° |
| C22 | C21 | C20 | H11 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 0.0° | 0.0° |
| C22 | C21 | C20 | C33 | 178.8° | 179.7° |
| C21 | C22 | C23 | H19 | 179.5° | 180.0° |
| C23 | C24 | C19 | H20 | 180.0° | 179.5° |
| C23 | C24 | C19 | C20 | 0.7° | 0.5° |
| C23 | C24 | C19 | N32 | 179.7° | 179.4° |
| C24 | C23 | C22 | H12 | 179.6° | 179.7° |
| C21 | C20 | C19 | C24 | 0.6° | 0.2° |
| C21 | C20 | C19 | C33 | 178.7° | 179.7° |
| C21 | C20 | C19 | N32 | 179.8° | 179.7° |
| C21 | C20 | C33 | C31 | 101.6° | 94.7° |
| C20 | C21 | C22 | H12 | 179.5° | 179.9° |
| C21 | C20 | C33 | H32 | 17.5° | 25.4° |
| C21 | C20 | C33 | H33 | 139.2° | 145.3° |
| C24 | C19 | C20 | N32 | 179.6° | 179.9° |
| C24 | C19 | C20 | C33 | 178.1° | 179.9° |
| C24 | C19 | N32 | C | 58.0° | 27.2° |
| C19 | C24 | C23 | H19 | 179.8° | 179.8° |
| C24 | C19 | N32 | H31 | 122.1° | 152.8° |
| C19 | C20 | C33 | C31 | 77.1° | 85.0° |
| C20 | C19 | N32 | C | 121.6° | 152.7° |
| C19 | C20 | C21 | H11 | 180.0° | 180.0° |
| C20 | C19 | C24 | H20 | 179.3° | 180.0° |
| C20 | C19 | N32 | H31 | 58.3° | 27.3° |
| C19 | C20 | C33 | H32 | 163.8° | 155.0° |
| C19 | C20 | C33 | H33 | 42.1° | 35.0° |
| C33 | C20 | C19 | N32 | 1.5° | 0.0° |
| C20 | C33 | C31 | H32 | 119.2° | 120.0° |
| C20 | C33 | C31 | H33 | 119.2° | 120.0° |
| C20 | C33 | C31 | C29 | 91.7° | 180.0° |
| C33 | C20 | C21 | H11 | 1.2° | 0.4° |
| C20 | C33 | C31 | H29 | 148.0° | 60.0° |
| C20 | C33 | C31 | H30 | 28.5° | 60.0° |
| C20 | C33 | H32 | H33 | 122.4° | 120.0° |
| C19 | N32 | C | H31 | 180.0° | 180.0° |
| C19 | N32 | C | O | 0.7° | 5.8° |
| C19 | N32 | C | C1 | 179.8° | 174.1° |
| N32 | C19 | C24 | H20 | 0.3° | 0.1° |
| C33 | C31 | C29 | O30 | 54.2° | 65.2° |
| C33 | C31 | C29 | H29 | 120.2° | 120.0° |
| C33 | C31 | C29 | H30 | 120.2° | 120.0° |
| C33 | C31 | C29 | C28 | 169.8° | 175.0° |
| C33 | C31 | C29 | H28 | 69.1° | 55.0° |
| C33 | C31 | H29 | H30 | 119.3° | 120.0° |
| C31 | C33 | H32 | H33 | 122.3° | 120.0° |
| O30 | C25 | C26 | H21 | 120.3° | 119.9° |
| O30 | C25 | C26 | H22 | 120.3° | 120.0° |
| C25 | O30 | C29 | C31 | 178.1° | 178.6° |
| C25 | O30 | C29 | C28 | 68.0° | 58.7° |
| O30 | C25 | C26 | N27 | 53.2° | 56.9° |
| O30 | C25 | C26 | C34 | 64.8° | 63.0° |
| O30 | C25 | H21 | H22 | 119.0° | 120.1° |
| O30 | C25 | C26 | H23 | 173.8° | 176.8° |
| C25 | O30 | C29 | H28 | 55.5° | 61.2° |
| C26 | C25 | O30 | C29 | 65.7° | 58.7° |
| C25 | C26 | N27 | C34 | 120.4° | 119.9° |
| C25 | C26 | N27 | H23 | 120.3° | 119.9° |
| C25 | C26 | C34 | H23 | 121.3° | 120.1° |
| C25 | C26 | C34 | O35 | 76.7° | 175.0° |
| C25 | C26 | N27 | C28 | 45.6° | 58.6° |
| C26 | C25 | H21 | H22 | 119.0° | 120.1° |
| C25 | C26 | N27 | H24 | 75.1° | 65.2° |
| C25 | C26 | C34 | H34 | 42.0° | 55.0° |
| C25 | C26 | C34 | H35 | 164.7° | 65.0° |
| O30 | C29 | C31 | C28 | 115.7° | 119.7° |
| O30 | C29 | C31 | H28 | 123.3° | 120.2° |
| O30 | C29 | C28 | H28 | 124.2° | 120.0° |
| O30 | C29 | C28 | N27 | 59.3° | 56.9° |
| C29 | O30 | C25 | H21 | 54.7° | 178.6° |
| C29 | O30 | C25 | H22 | 174.0° | 61.3° |
| O30 | C29 | C28 | H26 | 60.7° | 176.8° |
| O30 | C29 | C28 | H27 | 179.3° | 63.2° |
| O30 | C29 | C31 | H29 | 66.1° | 174.8° |
| O30 | C29 | C31 | H30 | 174.4° | 54.8° |
| N32 | C | O | C1 | 179.0° | 180.0° |
| N32 | C | C1 | N | 117.1° | 160.0° |
| N32 | C | C1 | C6 | 123.3° | 80.0° |
| N32 | C | C1 | H14 | 2.0° | 40.0° |
| C36 | N37 | C39 | H25 | 180.0° | 180.0° |
| N37 | C36 | O35 | O38 | 178.2° | 180.0° |
| C36 | N37 | C39 | C40 | 11.6° | 180.0° |
| N37 | C36 | O35 | C34 | 179.1° | 180.0° |
| C36 | N37 | C39 | H36 | 109.3° | 59.9° |
| C36 | N37 | C39 | H42 | 132.5° | 60.0° |
| C39 | N37 | C36 | O35 | 88.7° | 180.0° |
| C39 | N37 | C36 | O38 | 89.5° | 0.0° |
| N37 | C39 | C40 | H36 | 120.9° | 120.0° |
| N37 | C39 | C40 | H42 | 120.9° | 119.9° |
| N37 | C39 | C40 | C41 | 4.6° | 90.1° |
| N37 | C39 | C40 | C45 | 175.1° | 90.3° |
| N37 | C39 | H36 | H42 | 117.2° | 119.9° |
| C31 | C29 | C28 | H28 | 121.1° | 120.1° |
| C31 | C29 | C28 | N27 | 174.0° | 176.8° |
| C31 | C29 | C28 | H26 | 53.9° | 63.3° |
| C31 | C29 | C28 | H27 | 66.0° | 56.8° |
| C29 | C31 | H29 | H30 | 119.3° | 120.0° |
| C29 | C31 | C33 | H32 | 27.4° | 60.0° |
| C29 | C31 | C33 | H33 | 149.1° | 60.0° |
| C29 | C28 | N27 | C26 | 49.5° | 58.6° |
| C29 | C28 | N27 | H26 | 120.0° | 119.9° |
| C29 | C28 | N27 | H27 | 120.0° | 120.0° |
| C29 | C28 | N27 | H24 | 71.2° | 65.1° |
| C29 | C28 | H26 | H27 | 119.9° | 120.1° |
| C28 | C29 | C31 | H29 | 49.6° | 55.0° |
| C28 | C29 | C31 | H30 | 69.9° | 65.0° |
| N27 | C26 | C34 | H23 | 119.4° | 120.1° |
| N27 | C26 | C34 | O35 | 164.0° | 65.2° |
| C26 | N27 | C28 | H24 | 120.8° | 123.8° |
| N27 | C26 | C25 | H21 | 67.2° | 176.8° |
| N27 | C26 | C25 | H22 | 173.5° | 63.1° |
| C26 | N27 | C28 | H26 | 70.5° | 178.5° |
| C26 | N27 | C28 | H27 | 169.6° | 61.4° |
| N27 | C26 | C34 | H34 | 77.3° | 174.8° |
| N27 | C26 | C34 | H35 | 45.4° | 54.7° |
| C26 | C34 | O35 | C36 | 134.9° | 180.0° |
| C26 | C34 | O35 | H34 | 118.7° | 120.0° |
| C26 | C34 | O35 | H35 | 118.7° | 120.0° |
| C34 | C26 | N27 | C28 | 74.8° | 61.3° |
| C34 | C26 | C25 | H21 | 174.9° | 56.8° |
| C34 | C26 | C25 | H22 | 55.5° | 176.9° |
| C34 | C26 | N27 | H24 | 164.5° | 174.9° |
| C26 | C34 | H34 | H35 | 123.8° | 120.0° |
| C36 | O35 | C34 | H34 | 16.2° | 60.0° |
| C36 | O35 | C34 | H35 | 106.5° | 60.0° |
| O35 | C36 | N37 | H25 | 91.4° | 0.0° |
| O38 | C36 | O35 | C34 | 2.7° | 0.0° |
| O38 | C36 | N37 | H25 | 90.5° | 180.0° |
| C39 | C40 | C41 | C45 | 179.7° | 179.7° |
| C39 | C40 | C41 | C42 | 179.5° | 180.0° |
| C39 | C40 | C45 | C44 | 179.5° | 179.8° |
| C40 | C39 | H36 | H42 | 117.2° | 120.1° |
| C39 | C40 | C41 | H37 | 0.5° | 0.1° |
| C39 | C40 | C45 | H41 | 0.5° | 0.0° |
| C40 | C39 | N37 | H25 | 168.3° | 0.0° |
| O35 | C34 | C26 | H23 | 44.6° | 54.9° |
| O35 | C34 | H34 | H35 | 123.8° | 119.9° |
| O | C | C1 | N | 62.0° | 20.0° |
| O | C | C1 | C6 | 57.6° | 100.0° |
| O | C | C1 | H14 | 178.9° | 140.0° |
| O | C | N32 | H31 | 179.3° | 174.2° |
| C | C1 | N | C2 | 125.0° | 48.9° |
| C | C1 | N | C6 | 118.1° | 120.0° |
| C | C1 | N | H14 | 118.6° | 120.0° |
| C | C1 | C6 | H14 | 121.5° | 119.9° |
| C | C1 | C6 | C8 | 74.2° | 172.9° |
| C | C1 | C6 | C7 | 158.5° | 53.0° |
| C | C1 | N | H13 | 55.0° | 131.1° |
| C | C1 | C6 | H15 | 42.4° | 67.1° |
| C1 | C | N32 | H31 | 0.2° | 5.8° |
| C28 | N27 | C26 | H23 | 165.9° | 178.5° |
| N27 | C28 | H26 | H27 | 119.9° | 120.1° |
| N27 | C28 | C29 | H28 | 65.0° | 63.1° |
| O4 | C2 | O3 | C5 | 1.0° | 4.9° |
| O4 | C2 | O3 | N | 179.2° | 179.7° |
| O4 | C2 | N | C1 | 1.4° | 2.9° |
| O4 | C2 | N | H13 | 178.6° | 177.1° |
| C5 | O3 | C2 | N | 179.8° | 174.7° |
| O3 | C5 | H1 | H2 | 120.0° | 120.0° |
| O3 | C5 | H1 | H3 | 120.0° | 120.0° |
| O3 | C5 | H2 | H3 | 120.0° | 120.0° |
| O3 | C2 | N | C1 | 177.8° | 176.8° |
| C2 | O3 | C5 | H1 | 180.0° | 175.0° |
| C2 | O3 | C5 | H2 | 60.0° | 55.1° |
| C2 | O3 | C5 | H3 | 60.0° | 64.9° |
| O3 | C2 | N | H13 | 2.2° | 3.2° |
| C2 | N | C1 | H13 | 180.0° | 180.0° |
| C2 | N | C1 | C6 | 116.9° | 71.1° |
| C2 | N | C1 | H14 | 6.4° | 168.9° |
| N | C1 | C6 | H14 | 123.9° | 120.0° |
| N | C1 | C6 | C8 | 171.2° | 52.9° |
| N | C1 | C6 | C7 | 43.9° | 67.1° |
| N | C1 | C6 | H15 | 72.2° | 172.9° |
| C1 | C6 | C8 | C13 | 52.0° | 126.6° |
| C1 | C6 | C8 | C7 | 130.0° | 120.0° |
| C1 | C6 | C8 | H15 | 116.5° | 120.0° |
| C1 | C6 | C7 | H15 | 116.0° | 120.0° |
| C1 | C6 | C8 | C9 | 130.6° | 52.8° |
| C1 | C6 | C7 | C14 | 50.8° | 75.1° |
| C1 | C6 | C7 | C18 | 130.1° | 105.1° |
| C6 | C1 | N | H13 | 63.1° | 108.9° |
| C40 | C41 | C42 | H37 | 180.0° | 179.9° |
| C41 | C40 | C45 | C44 | 0.8° | 0.5° |
| C40 | C41 | C42 | C43 | 1.1° | 0.1° |
| C41 | C40 | C39 | H36 | 125.5° | 29.9° |
| C40 | C41 | C42 | H38 | 178.9° | 179.9° |
| C41 | C40 | C45 | H41 | 179.2° | 179.7° |
| C41 | C40 | C39 | H42 | 116.3° | 150.0° |
| C45 | C40 | C41 | C42 | 0.2° | 0.3° |
| C40 | C45 | C44 | H41 | 180.0° | 179.8° |
| C40 | C45 | C44 | C43 | 0.9° | 0.5° |
| C45 | C40 | C39 | H36 | 54.2° | 149.7° |
| C45 | C40 | C41 | H37 | 179.8° | 179.8° |
| C40 | C45 | C44 | H40 | 179.0° | 179.7° |
| C45 | C40 | C39 | H42 | 64.0° | 29.7° |
| C41 | C42 | C43 | H38 | 180.0° | 179.9° |
| C41 | C42 | C43 | C44 | 0.9° | 0.1° |
| C41 | C42 | C43 | H39 | 179.1° | 180.0° |
| C12 | C13 | C8 | H8 | 180.0° | 179.8° |
| C13 | C12 | C11 | H7 | 180.0° | 179.9° |
| C12 | C13 | C8 | C6 | 178.0° | 179.9° |
| C12 | C13 | C8 | C9 | 0.6° | 0.5° |
| C13 | C12 | C11 | C10 | 0.5° | 0.1° |
| C13 | C12 | C11 | H6 | 179.4° | 180.0° |
| C8 | C13 | C12 | C11 | 0.1° | 0.2° |
| C13 | C8 | C6 | C9 | 177.4° | 179.4° |
| C13 | C8 | C6 | C7 | 78.0° | 113.5° |
| C13 | C8 | C9 | C10 | 0.4° | 0.6° |
| C13 | C8 | C9 | H4 | 179.6° | 179.7° |
| C8 | C13 | C12 | H7 | 179.9° | 179.7° |
| C13 | C8 | C6 | H15 | 168.5° | 6.6° |
| C45 | C44 | C43 | C42 | 0.1° | 0.3° |
| C45 | C44 | C43 | H40 | 180.0° | 179.8° |
| C45 | C44 | C43 | H39 | 179.9° | 179.8° |
| C12 | C11 | C10 | H6 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 0.7° | 0.1° |
| C12 | C11 | C10 | H5 | 179.3° | 180.0° |
| C11 | C12 | C13 | H8 | 179.9° | 180.0° |
| C8 | C6 | C7 | H15 | 113.6° | 120.0° |
| C6 | C8 | C9 | C10 | 178.0° | 180.0° |
| C8 | C6 | C7 | C14 | 79.7° | 164.9° |
| C8 | C6 | C7 | C18 | 99.5° | 14.9° |
| C6 | C8 | C9 | H4 | 2.0° | 0.3° |
| C6 | C8 | C13 | H8 | 2.0° | 0.3° |
| C8 | C6 | C1 | H14 | 47.3° | 67.1° |
| C7 | C6 | C8 | C9 | 99.4° | 67.1° |
| C6 | C7 | C14 | C18 | 179.1° | 179.8° |
| C6 | C7 | C14 | C15 | 180.0° | 179.7° |
| C6 | C7 | C18 | C17 | 179.9° | 179.7° |
| C6 | C7 | C18 | H10 | 0.1° | 0.2° |
| C7 | C6 | C1 | H14 | 80.0° | 172.9° |
| C6 | C7 | C14 | H16 | 0.0° | 0.3° |
| C8 | C9 | C10 | C11 | 0.2° | 0.3° |
| C8 | C9 | C10 | H4 | 180.0° | 179.7° |
| C8 | C9 | C10 | H5 | 179.8° | 179.7° |
| C9 | C8 | C13 | H8 | 179.4° | 179.7° |
| C9 | C8 | C6 | H15 | 14.1° | 172.8° |
| C11 | C10 | C9 | H5 | 180.0° | 180.0° |
| C11 | C10 | C9 | H4 | 179.8° | 180.0° |
| C10 | C11 | C12 | H7 | 179.4° | 180.0° |
| C9 | C10 | C11 | H6 | 179.3° | 180.0° |
| C42 | C43 | C44 | H39 | 180.0° | 179.9° |
| C43 | C42 | C41 | H37 | 178.9° | 180.0° |
| C42 | C43 | C44 | H40 | 179.9° | 179.9° |
| C44 | C43 | C42 | H38 | 179.1° | 180.0° |
| C43 | C44 | C45 | H41 | 179.0° | 179.7° |
| C7 | C14 | C15 | H16 | 180.0° | 180.0° |
| C14 | C7 | C18 | C17 | 1.0° | 0.1° |
| C7 | C14 | C15 | C16 | 0.2° | 0.1° |
| C7 | C14 | C15 | H9 | 179.8° | 180.0° |
| C14 | C7 | C18 | H10 | 179.0° | 180.0° |
| C14 | C7 | C6 | H15 | 166.8° | 44.9° |
| C18 | C7 | C14 | C15 | 0.9° | 0.1° |
| C7 | C18 | C17 | H10 | 180.0° | 179.9° |
| C7 | C18 | C17 | C16 | 0.4° | 0.1° |
| C18 | C7 | C6 | H15 | 14.1° | 134.9° |
| C18 | C7 | C14 | H16 | 179.2° | 180.0° |
| C7 | C18 | C17 | H18 | 179.6° | 179.9° |
| C14 | C15 | C16 | H9 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.4° | 0.1° |
| C14 | C15 | C16 | H17 | 179.6° | 179.9° |
| C18 | C17 | C16 | C15 | 0.3° | 0.1° |
| C18 | C17 | C16 | H18 | 180.0° | 179.9° |
| C18 | C17 | C16 | H17 | 179.7° | 179.9° |
| C15 | C16 | C17 | H17 | 180.0° | 180.0° |
| C16 | C15 | C14 | H16 | 179.8° | 180.0° |
| C15 | C16 | C17 | H18 | 179.7° | 179.9° |
| C17 | C16 | C15 | H9 | 179.6° | 180.0° |
| C16 | C17 | C18 | H10 | 179.6° | 180.0° |
| H1 | C5 | H2 | H3 | 120.0° | 120.0° |
| H4 | C9 | C10 | H5 | 0.2° | 0.0° |
| H5 | C10 | C11 | H6 | 0.7° | 0.1° |
| H6 | C11 | C12 | H7 | 0.6° | 0.1° |
| H7 | C12 | C13 | H8 | 0.1° | 0.0° |
| H9 | C15 | C14 | H16 | 0.2° | 0.1° |
| H9 | C15 | C16 | H17 | 0.4° | 0.0° |
| H10 | C18 | C17 | H18 | 0.4° | 0.0° |
| H11 | C21 | C22 | H12 | 0.5° | 0.0° |
| H12 | C22 | C23 | H19 | 0.5° | 0.0° |
| H13 | N | C1 | H14 | 173.6° | 11.1° |
| H14 | C1 | C6 | H15 | 164.0° | 52.9° |
| H17 | C16 | C17 | H18 | 0.3° | 0.1° |
| H19 | C23 | C24 | H20 | 0.2° | 0.3° |
| H21 | C25 | C26 | H23 | 53.4° | 63.3° |
| H22 | C25 | C26 | H23 | 65.9° | 56.8° |
| H23 | C26 | N27 | H24 | 45.2° | 54.7° |
| H23 | C26 | C34 | H34 | 163.3° | 65.1° |
| H23 | C26 | C34 | H35 | 74.0° | 174.9° |
| H24 | N27 | C28 | H26 | 168.7° | 54.7° |
| H24 | N27 | C28 | H27 | 48.8° | 174.9° |
| H26 | C28 | C29 | H28 | 175.0° | 56.8° |
| H27 | C28 | C29 | H28 | 55.1° | 176.9° |
| H28 | C29 | C31 | H29 | 170.7° | 65.0° |
| H28 | C29 | C31 | H30 | 51.1° | 175.0° |
| H29 | C31 | C33 | H32 | 92.8° | 60.0° |
| H29 | C31 | C33 | H33 | 28.8° | 180.0° |
| H30 | C31 | C33 | H32 | 147.7° | 180.0° |
| H30 | C31 | C33 | H33 | 90.7° | 60.0° |
| H36 | C39 | N37 | H25 | 70.8° | 120.0° |
| H37 | C41 | C42 | H38 | 1.1° | 0.0° |
| H38 | C42 | C43 | H39 | 0.9° | 0.1° |
| H39 | C43 | C44 | H40 | 0.1° | 0.0° |
| H40 | C44 | C45 | H41 | 1.0° | 0.1° |
| H25 | N37 | C39 | H42 | 47.5° | 120.0° |
