8A6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O35 | S30 | doub | 1.42Å | 1.43Å | |
| C38 | N34 | sing | 1.46Å | 1.50Å | |
| N34 | S30 | sing | 1.66Å | 1.65Å | |
| N34 | C37 | sing | 1.47Å | 1.51Å | |
| S30 | O36 | doub | 1.42Å | 1.44Å | |
| S30 | C27 | sing | 1.76Å | 1.61Å | |
| C40 | C41 | doub | 1.38Å | 1.40Å | Aromatic |
| C40 | C39 | sing | 1.38Å | 1.40Å | Aromatic |
| C41 | C42 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C37 | C39 | sing | 1.51Å | 1.52Å | |
| C39 | C44 | doub | 1.38Å | 1.40Å | Aromatic |
| C42 | C43 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| N11 | N12 | sing | 1.40Å | 1.41Å | Aromatic |
| N11 | C10 | sing | 1.35Å | 1.35Å | Aromatic |
| C29 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C44 | C43 | sing | 1.38Å | 1.39Å | Aromatic |
| N12 | C6 | doub | 1.30Å | 1.34Å | Aromatic |
| C13 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | C5 | doub | 1.34Å | 1.51Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | C20 | sing | 1.48Å | 1.48Å | |
| C6 | C5 | sing | 1.41Å | 1.46Å | Aromatic |
| C6 | O1 | sing | 1.36Å | 1.36Å | |
| C5 | C4 | sing | 1.51Å | 1.52Å | |
| C21 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C16 | sing | 1.38Å | 1.42Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| O1 | C2 | sing | 1.35Å | 1.47Å | |
| C15 | C14 | sing | 1.53Å | 1.51Å | |
| C4 | C16 | sing | 1.51Å | 1.54Å | |
| C4 | C14 | sing | 1.53Å | 1.54Å | |
| C4 | C3 | sing | 1.51Å | 1.54Å | |
| C16 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.35Å | 1.37Å | |
| C2 | N7 | sing | 1.37Å | 1.35Å | |
| C14 | C24 | sing | 1.53Å | 1.55Å | |
| C3 | C8 | sing | 1.43Å | 1.29Å | |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C23 | sing | 1.51Å | 1.50Å | |
| F33 | C23 | sing | 1.40Å | 1.33Å | |
| C8 | N9 | trip | 1.14Å | 1.17Å | |
| C23 | F31 | sing | 1.40Å | 1.32Å | |
| C23 | F32 | sing | 1.40Å | 1.31Å | |
| C38 | H1 | sing | 1.09Å | 1.10Å | |
| C38 | H2 | sing | 1.09Å | 1.10Å | |
| C38 | H3 | sing | 1.09Å | 1.10Å | |
| C37 | H4 | sing | 1.09Å | 1.10Å | |
| C37 | H5 | sing | 1.09Å | 1.10Å | |
| C44 | H6 | sing | 1.08Å | 1.08Å | |
| C43 | H7 | sing | 1.08Å | 1.08Å | |
| C42 | H8 | sing | 1.08Å | 1.08Å | |
| C41 | H9 | sing | 1.08Å | 1.08Å | |
| C40 | H10 | sing | 1.08Å | 1.08Å | |
| C26 | H11 | sing | 1.08Å | 1.08Å | |
| C25 | H12 | sing | 1.08Å | 1.08Å | |
| C28 | H13 | sing | 1.08Å | 1.08Å | |
| C29 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| N7 | H25 | sing | 0.97Å | 1.00Å | |
| N7 | H26 | sing | 0.97Å | 1.00Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| C13 | H28 | sing | 1.09Å | 1.10Å | |
| C13 | H29 | sing | 1.09Å | 1.10Å | |
| N11 | H30 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O35 | S30 | N34 | 104.5° | 106.4° |
| O35 | S30 | O36 | 109.0° | 123.2° |
| O35 | S30 | C27 | 109.7° | 106.4° |
| C38 | N34 | S30 | 111.3° | 120.0° |
| C38 | N34 | C37 | 116.6° | 120.0° |
| N34 | C38 | H1 | 109.5° | 109.5° |
| N34 | C38 | H2 | 109.5° | 109.5° |
| N34 | C38 | H3 | 109.5° | 109.5° |
| S30 | N34 | C37 | 114.4° | 120.0° |
| N34 | S30 | O36 | 109.7° | 106.4° |
| N34 | S30 | C27 | 114.0° | 107.2° |
| N34 | C37 | C39 | 116.7° | 109.5° |
| N34 | C37 | H4 | 107.6° | 109.5° |
| N34 | C37 | H5 | 107.7° | 109.5° |
| O36 | S30 | C27 | 109.7° | 106.4° |
| S30 | C27 | C28 | 121.4° | 119.9° |
| S30 | C27 | C26 | 119.4° | 119.9° |
| C41 | C40 | C39 | 119.7° | 120.0° |
| C40 | C41 | C42 | 120.3° | 120.0° |
| C40 | C41 | H9 | 119.9° | 120.0° |
| C41 | C40 | H10 | 120.1° | 120.0° |
| C40 | C39 | C37 | 120.7° | 120.0° |
| C40 | C39 | C44 | 119.9° | 120.0° |
| C39 | C40 | H10 | 120.2° | 120.0° |
| C41 | C42 | C43 | 120.2° | 120.0° |
| C41 | C42 | H8 | 119.9° | 120.0° |
| C42 | C41 | H9 | 119.9° | 120.0° |
| C27 | C28 | C29 | 120.6° | 120.1° |
| C28 | C27 | C26 | 119.2° | 120.3° |
| C27 | C28 | H13 | 119.7° | 120.0° |
| C28 | C29 | C22 | 119.6° | 119.9° |
| C29 | C28 | H13 | 119.7° | 120.0° |
| C28 | C29 | H14 | 120.2° | 120.0° |
| C37 | C39 | C44 | 119.4° | 120.0° |
| C39 | C37 | H4 | 107.6° | 109.5° |
| C39 | C37 | H5 | 107.6° | 109.4° |
| C39 | C44 | C43 | 120.4° | 120.0° |
| C39 | C44 | H6 | 119.8° | 120.0° |
| C42 | C43 | C44 | 119.6° | 120.0° |
| C42 | C43 | H7 | 120.2° | 120.0° |
| C43 | C42 | H8 | 119.9° | 120.0° |
| C27 | C26 | C25 | 120.3° | 120.1° |
| C27 | C26 | H11 | 119.9° | 120.0° |
| N12 | N11 | C10 | 115.1° | 108.1° |
| N11 | N12 | C6 | 102.8° | 108.1° |
| N12 | N11 | H30 | 122.5° | 125.9° |
| N11 | C10 | C13 | 123.2° | 126.2° |
| N11 | C10 | C5 | 106.1° | 107.6° |
| C10 | N11 | H30 | 122.4° | 126.0° |
| C29 | C22 | C25 | 120.0° | 119.7° |
| C29 | C22 | C20 | 120.9° | 120.2° |
| C22 | C29 | H14 | 120.2° | 120.0° |
| C43 | C44 | H6 | 119.8° | 120.0° |
| C44 | C43 | H7 | 120.2° | 120.0° |
| N12 | C6 | C5 | 115.4° | 108.1° |
| N12 | C6 | O1 | 126.0° | 129.9° |
| C13 | C10 | C5 | 130.7° | 126.2° |
| C10 | C13 | H27 | 109.5° | 109.4° |
| C10 | C13 | H28 | 109.5° | 109.5° |
| C10 | C13 | H29 | 109.5° | 109.4° |
| C10 | C5 | C6 | 100.5° | 108.1° |
| C10 | C5 | C4 | 136.2° | 129.6° |
| C26 | C25 | C22 | 120.3° | 119.9° |
| C25 | C26 | H11 | 119.8° | 119.9° |
| C26 | C25 | H12 | 119.8° | 120.1° |
| C25 | C22 | C20 | 119.1° | 120.1° |
| C22 | C25 | H12 | 119.9° | 120.0° |
| C22 | C20 | C21 | 124.3° | 120.2° |
| C22 | C20 | C19 | 115.5° | 120.1° |
| C5 | C6 | O1 | 118.6° | 122.0° |
| C6 | C5 | C4 | 123.2° | 122.3° |
| C6 | O1 | C2 | 121.7° | 117.4° |
| C5 | C4 | C16 | 109.7° | 109.8° |
| C5 | C4 | C14 | 109.5° | 109.7° |
| C5 | C4 | C3 | 112.2° | 108.2° |
| C20 | C21 | C16 | 120.6° | 119.9° |
| C21 | C20 | C19 | 120.2° | 119.8° |
| C20 | C21 | H17 | 119.7° | 120.1° |
| C21 | C16 | C4 | 123.2° | 119.9° |
| C21 | C16 | C17 | 117.1° | 120.1° |
| C16 | C21 | H17 | 119.7° | 120.1° |
| C20 | C19 | C18 | 120.5° | 119.8° |
| C20 | C19 | H15 | 119.8° | 120.1° |
| O1 | C2 | C3 | 122.0° | 124.6° |
| O1 | C2 | N7 | 115.0° | 117.7° |
| C15 | C14 | C4 | 111.0° | 109.4° |
| C15 | C14 | C24 | 111.7° | 109.5° |
| C15 | C14 | H18 | 106.2° | 109.5° |
| C14 | C15 | H22 | 109.5° | 109.4° |
| C14 | C15 | H23 | 109.5° | 109.5° |
| C14 | C15 | H24 | 109.5° | 109.4° |
| C16 | C4 | C14 | 114.9° | 109.7° |
| C16 | C4 | C3 | 106.8° | 109.7° |
| C4 | C16 | C17 | 119.7° | 120.0° |
| C14 | C4 | C3 | 103.6° | 109.8° |
| C4 | C14 | C24 | 115.6° | 109.4° |
| C4 | C14 | H18 | 105.8° | 109.5° |
| C4 | C3 | C2 | 121.4° | 123.0° |
| C4 | C3 | C8 | 118.6° | 118.5° |
| C16 | C17 | C18 | 121.7° | 120.3° |
| C16 | C17 | H16 | 119.1° | 119.9° |
| C19 | C18 | C17 | 119.9° | 120.1° |
| C19 | C18 | C23 | 117.4° | 119.9° |
| C18 | C19 | H15 | 119.8° | 120.1° |
| C3 | C2 | N7 | 123.0° | 117.7° |
| C2 | C3 | C8 | 120.0° | 118.5° |
| C2 | N7 | H25 | 109.5° | 120.0° |
| C2 | N7 | H26 | 109.5° | 120.0° |
| C24 | C14 | H18 | 105.7° | 109.5° |
| C14 | C24 | H19 | 109.5° | 109.5° |
| C14 | C24 | H20 | 109.4° | 109.4° |
| C14 | C24 | H21 | 109.5° | 109.5° |
| C3 | C8 | N9 | 179.9° | 179.9° |
| C17 | C18 | C23 | 122.7° | 120.0° |
| C18 | C17 | H16 | 119.2° | 119.9° |
| C18 | C23 | F33 | 110.2° | 109.4° |
| C18 | C23 | F31 | 106.9° | 109.5° |
| C18 | C23 | F32 | 109.9° | 109.4° |
| F33 | C23 | F31 | 110.1° | 109.5° |
| F33 | C23 | F32 | 112.1° | 109.5° |
| F31 | C23 | F32 | 107.5° | 109.5° |
| H1 | C38 | H2 | 109.5° | 109.4° |
| H1 | C38 | H3 | 109.5° | 109.4° |
| H2 | C38 | H3 | 109.5° | 109.5° |
| H4 | C37 | H5 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.5° | 109.5° |
| H19 | C24 | H21 | 109.4° | 109.5° |
| H20 | C24 | H21 | 109.5° | 109.4° |
| H22 | C15 | H23 | 109.5° | 109.6° |
| H22 | C15 | H24 | 109.4° | 109.4° |
| H23 | C15 | H24 | 109.4° | 109.5° |
| H25 | N7 | H26 | 109.5° | 120.0° |
| H27 | C13 | H28 | 109.4° | 109.5° |
| H27 | C13 | H29 | 109.4° | 109.5° |
| H28 | C13 | H29 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O35 | S30 | N34 | C38 | 43.5° | 156.5° |
| O35 | S30 | N34 | O36 | 116.8° | 133.0° |
| O35 | S30 | N34 | C27 | 119.7° | 113.5° |
| O35 | S30 | N34 | C37 | 178.3° | 23.5° |
| O35 | S30 | O36 | C27 | 120.1° | 122.9° |
| O35 | S30 | C27 | C28 | 22.6° | 23.2° |
| O35 | S30 | C27 | C26 | 157.6° | 156.4° |
| C38 | N34 | S30 | C37 | 134.8° | 180.0° |
| C38 | N34 | S30 | O36 | 160.3° | 23.5° |
| C38 | N34 | S30 | C27 | 76.2° | 90.0° |
| C38 | N34 | C37 | C39 | 18.8° | 85.0° |
| N34 | C38 | H1 | H2 | 120.0° | 120.0° |
| N34 | C38 | H1 | H3 | 120.0° | 120.0° |
| N34 | C38 | H2 | H3 | 120.0° | 120.1° |
| C38 | N34 | C37 | H4 | 139.9° | 35.0° |
| C38 | N34 | C37 | H5 | 102.2° | 155.0° |
| N34 | S30 | O36 | C27 | 126.0° | 114.1° |
| N34 | S30 | C27 | C28 | 94.1° | 90.3° |
| S30 | N34 | C37 | C39 | 151.1° | 94.9° |
| N34 | S30 | C27 | C26 | 85.6° | 90.0° |
| S30 | N34 | C38 | H1 | 180.0° | 90.0° |
| S30 | N34 | C38 | H2 | 60.0° | 150.0° |
| S30 | N34 | C38 | H3 | 60.0° | 30.0° |
| S30 | N34 | C37 | H4 | 87.9° | 145.0° |
| S30 | N34 | C37 | H5 | 30.1° | 25.0° |
| C37 | N34 | S30 | O36 | 65.0° | 156.4° |
| C37 | N34 | S30 | C27 | 58.5° | 90.0° |
| N34 | C37 | C39 | C40 | 84.1° | 90.2° |
| N34 | C37 | C39 | H4 | 121.0° | 120.0° |
| N34 | C37 | C39 | H5 | 121.1° | 120.0° |
| N34 | C37 | C39 | C44 | 96.0° | 90.0° |
| C37 | N34 | C38 | H1 | 46.3° | 90.0° |
| C37 | N34 | C38 | H2 | 73.7° | 30.0° |
| C37 | N34 | C38 | H3 | 166.3° | 150.0° |
| N34 | C37 | H4 | H5 | 116.7° | 120.0° |
| O36 | S30 | C27 | C28 | 142.4° | 156.1° |
| O36 | S30 | C27 | C26 | 37.9° | 23.5° |
| S30 | C27 | C28 | C26 | 179.8° | 179.7° |
| S30 | C27 | C28 | C29 | 179.0° | 180.0° |
| S30 | C27 | C26 | C25 | 179.1° | 180.0° |
| S30 | C27 | C26 | H11 | 0.9° | 0.1° |
| S30 | C27 | C28 | H13 | 1.1° | 0.1° |
| C41 | C40 | C39 | H10 | 180.0° | 179.5° |
| C40 | C41 | C42 | H9 | 180.0° | 179.8° |
| C41 | C40 | C39 | C37 | 179.7° | 179.7° |
| C41 | C40 | C39 | C44 | 0.3° | 0.6° |
| C40 | C41 | C42 | C43 | 0.1° | 0.3° |
| C40 | C41 | C42 | H8 | 179.9° | 179.8° |
| C39 | C40 | C41 | C42 | 0.1° | 0.5° |
| C40 | C39 | C37 | C44 | 179.9° | 179.7° |
| C40 | C39 | C44 | C43 | 0.6° | 0.3° |
| C40 | C39 | C37 | H4 | 37.0° | 149.7° |
| C40 | C39 | C37 | H5 | 154.9° | 29.7° |
| C40 | C39 | C44 | H6 | 179.4° | 179.8° |
| C39 | C40 | C41 | H9 | 179.9° | 179.7° |
| C41 | C42 | C43 | H8 | 180.0° | 180.0° |
| C41 | C42 | C43 | C44 | 0.3° | 0.0° |
| C41 | C42 | C43 | H7 | 179.7° | 180.0° |
| C42 | C41 | C40 | H10 | 179.9° | 180.0° |
| C27 | C28 | C29 | H13 | 180.0° | 179.9° |
| C27 | C28 | C29 | C22 | 0.8° | 0.1° |
| C28 | C27 | C26 | C25 | 0.7° | 0.3° |
| C28 | C27 | C26 | H11 | 179.3° | 179.8° |
| C27 | C28 | C29 | H14 | 179.2° | 180.0° |
| C29 | C28 | C27 | C26 | 0.8° | 0.3° |
| C28 | C29 | C22 | H14 | 180.0° | 179.9° |
| C28 | C29 | C22 | C25 | 0.7° | 0.2° |
| C28 | C29 | C22 | C20 | 179.2° | 180.0° |
| C37 | C39 | C44 | C43 | 179.5° | 180.0° |
| C39 | C37 | H4 | H5 | 116.7° | 120.0° |
| C37 | C39 | C44 | H6 | 0.5° | 0.1° |
| C37 | C39 | C40 | H10 | 0.2° | 0.3° |
| C39 | C44 | C43 | C42 | 0.6° | 0.0° |
| C39 | C44 | C43 | H6 | 180.0° | 179.9° |
| C44 | C39 | C37 | H4 | 143.0° | 30.0° |
| C44 | C39 | C37 | H5 | 25.0° | 150.0° |
| C39 | C44 | C43 | H7 | 179.4° | 179.9° |
| C44 | C39 | C40 | H10 | 179.7° | 180.0° |
| C42 | C43 | C44 | H7 | 180.0° | 180.0° |
| C42 | C43 | C44 | H6 | 179.4° | 179.9° |
| C43 | C42 | C41 | H9 | 179.9° | 180.0° |
| C27 | C26 | C25 | H11 | 180.0° | 179.9° |
| C27 | C26 | C25 | C22 | 0.6° | 0.0° |
| C27 | C26 | C25 | H12 | 179.5° | 179.9° |
| C26 | C27 | C28 | H13 | 179.2° | 179.7° |
| N12 | N11 | C10 | H30 | 180.0° | 179.9° |
| N12 | N11 | C10 | C13 | 179.1° | 179.8° |
| N12 | N11 | C10 | C5 | 0.4° | 0.1° |
| N11 | N12 | C6 | C5 | 0.1° | 0.0° |
| N11 | N12 | C6 | O1 | 179.7° | 180.0° |
| C10 | N11 | N12 | C6 | 0.3° | 0.1° |
| N11 | C10 | C13 | C5 | 179.4° | 179.9° |
| N11 | C10 | C5 | C6 | 0.3° | 0.1° |
| N11 | C10 | C5 | C4 | 179.7° | 179.9° |
| N11 | C10 | C13 | H27 | 89.7° | 90.0° |
| N11 | C10 | C13 | H28 | 150.3° | 30.0° |
| N11 | C10 | C13 | H29 | 30.3° | 150.1° |
| C29 | C22 | C25 | C26 | 0.5° | 0.2° |
| C29 | C22 | C25 | C20 | 178.5° | 179.8° |
| C29 | C22 | C20 | C21 | 45.1° | 179.7° |
| C29 | C22 | C20 | C19 | 133.9° | 0.1° |
| C29 | C22 | C25 | H12 | 179.5° | 179.8° |
| C22 | C29 | C28 | H13 | 179.2° | 180.0° |
| C44 | C43 | C42 | H8 | 179.7° | 180.0° |
| N12 | C6 | C5 | C10 | 0.1° | 0.1° |
| N12 | C6 | C5 | O1 | 179.8° | 180.0° |
| N12 | C6 | C5 | C4 | 179.6° | 179.9° |
| N12 | C6 | O1 | C2 | 172.0° | 166.8° |
| C6 | N12 | N11 | H30 | 179.6° | 180.0° |
| C13 | C10 | C5 | C6 | 179.2° | 179.8° |
| C13 | C10 | C5 | C4 | 0.2° | 0.0° |
| C10 | C13 | H27 | H28 | 120.0° | 120.0° |
| C10 | C13 | H27 | H29 | 120.0° | 119.9° |
| C10 | C13 | H28 | H29 | 120.0° | 120.0° |
| C13 | C10 | N11 | H30 | 0.9° | 0.1° |
| C10 | C5 | C6 | C4 | 179.5° | 179.8° |
| C10 | C5 | C6 | O1 | 179.9° | 180.0° |
| C10 | C5 | C4 | C16 | 53.7° | 48.6° |
| C10 | C5 | C4 | C14 | 73.3° | 72.0° |
| C10 | C5 | C4 | C3 | 172.3° | 168.3° |
| C5 | C10 | C13 | H27 | 89.6° | 90.0° |
| C5 | C10 | C13 | H28 | 30.4° | 150.1° |
| C5 | C10 | C13 | H29 | 150.4° | 30.0° |
| C5 | C10 | N11 | H30 | 179.6° | 179.9° |
| C26 | C25 | C22 | H12 | 180.0° | 180.0° |
| C26 | C25 | C22 | C20 | 179.1° | 180.0° |
| C25 | C22 | C20 | C21 | 136.4° | 0.5° |
| C25 | C22 | C20 | C19 | 44.6° | 179.7° |
| C22 | C25 | C26 | H11 | 179.4° | 179.9° |
| C25 | C22 | C29 | H14 | 179.4° | 179.7° |
| C22 | C20 | C21 | C19 | 179.0° | 179.8° |
| C22 | C20 | C21 | C16 | 179.5° | 179.7° |
| C22 | C20 | C19 | C18 | 179.7° | 180.0° |
| C20 | C22 | C25 | H12 | 0.9° | 0.0° |
| C20 | C22 | C29 | H14 | 0.8° | 0.0° |
| C22 | C20 | C19 | H15 | 0.4° | 0.1° |
| C22 | C20 | C21 | H17 | 0.5° | 0.0° |
| C5 | C6 | O1 | C2 | 8.2° | 13.1° |
| C6 | C5 | C4 | C16 | 125.6° | 131.6° |
| C6 | C5 | C4 | C14 | 107.5° | 107.8° |
| C6 | C5 | C4 | C3 | 7.0° | 11.9° |
| O1 | C6 | C5 | C4 | 0.6° | 0.1° |
| C6 | O1 | C2 | C3 | 7.6° | 13.3° |
| C6 | O1 | C2 | N7 | 171.7° | 166.6° |
| C5 | C4 | C16 | C21 | 22.6° | 65.5° |
| C5 | C4 | C14 | C15 | 68.5° | 55.1° |
| C5 | C4 | C16 | C14 | 123.8° | 120.6° |
| C5 | C4 | C16 | C3 | 121.9° | 118.7° |
| C5 | C4 | C14 | C3 | 119.9° | 118.7° |
| C5 | C4 | C16 | C17 | 159.1° | 115.0° |
| C5 | C4 | C3 | C2 | 7.6° | 12.2° |
| C5 | C4 | C14 | C24 | 60.1° | 175.0° |
| C5 | C4 | C3 | C8 | 174.1° | 167.9° |
| C5 | C4 | C14 | H18 | 176.7° | 64.9° |
| C20 | C21 | C16 | H17 | 180.0° | 179.7° |
| C20 | C21 | C16 | C4 | 178.3° | 180.0° |
| C20 | C21 | C16 | C17 | 0.0° | 0.5° |
| C21 | C20 | C19 | C18 | 0.6° | 0.2° |
| C21 | C20 | C19 | H15 | 179.4° | 179.7° |
| C16 | C21 | C20 | C19 | 0.6° | 0.5° |
| C21 | C16 | C4 | C17 | 178.3° | 179.5° |
| C21 | C16 | C4 | C14 | 146.4° | 173.9° |
| C21 | C16 | C4 | C3 | 99.3° | 53.3° |
| C21 | C16 | C17 | C18 | 0.5° | 0.3° |
| C21 | C16 | C17 | H16 | 179.6° | 179.8° |
| C20 | C19 | C18 | H15 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.1° | 0.0° |
| C20 | C19 | C18 | C23 | 178.9° | 179.9° |
| C19 | C20 | C21 | H17 | 179.4° | 179.8° |
| O1 | C2 | C3 | C4 | 1.1° | 0.3° |
| O1 | C2 | C3 | N7 | 179.2° | 180.0° |
| O1 | C2 | C3 | C8 | 179.3° | 179.8° |
| O1 | C2 | N7 | H25 | 0.0° | 180.0° |
| O1 | C2 | N7 | H26 | 120.0° | 0.0° |
| C15 | C14 | C4 | C16 | 55.4° | 175.7° |
| C15 | C14 | C4 | C24 | 128.6° | 119.9° |
| C15 | C14 | C4 | H18 | 114.8° | 120.0° |
| C15 | C14 | C4 | C3 | 171.6° | 63.6° |
| C15 | C14 | C24 | H18 | 115.1° | 120.1° |
| C15 | C14 | C24 | H19 | 180.0° | 52.5° |
| C15 | C14 | C24 | H20 | 60.0° | 67.5° |
| C15 | C14 | C24 | H21 | 60.0° | 172.6° |
| C14 | C15 | H22 | H23 | 120.0° | 120.0° |
| C14 | C15 | H22 | H24 | 120.0° | 119.9° |
| C14 | C15 | H23 | H24 | 120.0° | 120.0° |
| C16 | C4 | C14 | C3 | 116.1° | 120.6° |
| C16 | C4 | C3 | C2 | 128.0° | 131.9° |
| C16 | C4 | C14 | C24 | 176.0° | 64.4° |
| C16 | C4 | C3 | C8 | 53.8° | 48.1° |
| C4 | C16 | C17 | C18 | 178.9° | 179.7° |
| C4 | C16 | C17 | H16 | 1.1° | 0.3° |
| C4 | C16 | C21 | H17 | 1.7° | 0.3° |
| C16 | C4 | C14 | H18 | 59.3° | 55.7° |
| C14 | C4 | C16 | C17 | 35.3° | 5.6° |
| C14 | C4 | C3 | C2 | 110.3° | 107.5° |
| C4 | C14 | C24 | H18 | 116.7° | 120.0° |
| C14 | C4 | C3 | C8 | 67.9° | 72.5° |
| C4 | C14 | C24 | H19 | 51.8° | 67.4° |
| C4 | C14 | C24 | H20 | 68.3° | 172.6° |
| C4 | C14 | C24 | H21 | 171.8° | 52.7° |
| C4 | C14 | C15 | H22 | 180.0° | 180.0° |
| C4 | C14 | C15 | H23 | 60.0° | 59.9° |
| C4 | C14 | C15 | H24 | 60.0° | 60.1° |
| C3 | C4 | C16 | C17 | 79.0° | 126.2° |
| C4 | C3 | C2 | C8 | 178.2° | 180.0° |
| C4 | C3 | C2 | N7 | 179.7° | 179.8° |
| C3 | C4 | C14 | C24 | 59.8° | 56.3° |
| C4 | C3 | C8 | N9 | 137.6° | 23.4° |
| C3 | C4 | C14 | H18 | 56.8° | 176.3° |
| C16 | C17 | C18 | C19 | 0.4° | 0.0° |
| C16 | C17 | C18 | H16 | 180.0° | 180.0° |
| C16 | C17 | C18 | C23 | 179.4° | 179.9° |
| C17 | C16 | C21 | H17 | 179.9° | 179.8° |
| C19 | C18 | C17 | C23 | 178.9° | 180.0° |
| C19 | C18 | C23 | F33 | 49.2° | 120.0° |
| C19 | C18 | C23 | F31 | 70.4° | 0.0° |
| C19 | C18 | C23 | F32 | 173.2° | 120.0° |
| C19 | C18 | C17 | H16 | 179.6° | 180.0° |
| C2 | C3 | C8 | N9 | 44.1° | 156.5° |
| C3 | C2 | N7 | H25 | 179.3° | 0.1° |
| C3 | C2 | N7 | H26 | 60.7° | 180.0° |
| N7 | C2 | C3 | C8 | 1.5° | 0.2° |
| C2 | N7 | H25 | H26 | 120.0° | 179.9° |
| C14 | C24 | H19 | H20 | 120.0° | 120.0° |
| C14 | C24 | H19 | H21 | 120.0° | 120.0° |
| C14 | C24 | H20 | H21 | 120.0° | 119.9° |
| C24 | C14 | C15 | H22 | 49.4° | 60.1° |
| C24 | C14 | C15 | H23 | 70.6° | 60.0° |
| C24 | C14 | C15 | H24 | 169.4° | 180.0° |
| C17 | C18 | C23 | F33 | 131.8° | 59.9° |
| C17 | C18 | C23 | F31 | 108.6° | 180.0° |
| C17 | C18 | C23 | F32 | 7.8° | 60.0° |
| C17 | C18 | C19 | H15 | 179.9° | 180.0° |
| C18 | C23 | F33 | F31 | 117.7° | 120.1° |
| C18 | C23 | F33 | F32 | 122.8° | 119.9° |
| C18 | C23 | F31 | F32 | 118.0° | 120.0° |
| C23 | C18 | C19 | H15 | 1.1° | 0.0° |
| C23 | C18 | C17 | H16 | 0.7° | 0.1° |
| F33 | C23 | F31 | F32 | 122.3° | 120.0° |
| H1 | C38 | H2 | H3 | 120.0° | 119.9° |
| H6 | C44 | C43 | H7 | 0.6° | 0.0° |
| H7 | C43 | C42 | H8 | 0.4° | 0.0° |
| H8 | C42 | C41 | H9 | 0.1° | 0.0° |
| H9 | C41 | C40 | H10 | 0.1° | 0.2° |
| H11 | C26 | C25 | H12 | 0.6° | 0.0° |
| H13 | C28 | C29 | H14 | 0.8° | 0.0° |
| H18 | C14 | C24 | H19 | 64.9° | 172.6° |
| H18 | C14 | C24 | H20 | 175.0° | 52.6° |
| H18 | C14 | C24 | H21 | 55.1° | 67.3° |
| H18 | C14 | C15 | H22 | 65.4° | 60.0° |
| H18 | C14 | C15 | H23 | 174.6° | 179.9° |
| H18 | C14 | C15 | H24 | 54.6° | 59.9° |
| H19 | C24 | H20 | H21 | 120.0° | 120.1° |
| H22 | C15 | H23 | H24 | 119.9° | 120.0° |
| H27 | C13 | H28 | H29 | 120.0° | 120.1° |
