8AO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O51 | S44 | doub | 1.42Å | 1.42Å | |
| C56 | S44 | sing | 1.81Å | 1.67Å | |
| C56 | C57 | sing | 1.51Å | 1.52Å | |
| S44 | O52 | doub | 1.42Å | 1.44Å | |
| S44 | C41 | sing | 1.76Å | 1.60Å | |
| C58 | C57 | doub | 1.38Å | 1.41Å | Aromatic |
| C58 | C59 | sing | 1.38Å | 1.40Å | Aromatic |
| C57 | C62 | sing | 1.38Å | 1.41Å | Aromatic |
| C40 | C41 | doub | 1.38Å | 1.40Å | Aromatic |
| C40 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C41 | C42 | sing | 1.38Å | 1.40Å | Aromatic |
| N54 | N11 | sing | 1.40Å | 1.41Å | Aromatic |
| N54 | C10 | sing | 1.35Å | 1.35Å | Aromatic |
| C59 | C60 | doub | 1.38Å | 1.40Å | Aromatic |
| N11 | C6 | doub | 1.30Å | 1.35Å | Aromatic |
| C62 | C61 | doub | 1.38Å | 1.40Å | Aromatic |
| C39 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | C5 | doub | 1.34Å | 1.50Å | Aromatic |
| C60 | C61 | sing | 1.38Å | 1.40Å | Aromatic |
| C42 | C43 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.47Å | Aromatic |
| C6 | O1 | sing | 1.36Å | 1.37Å | |
| C32 | C43 | sing | 1.39Å | 1.40Å | Aromatic |
| C32 | C19 | sing | 1.48Å | 1.49Å | |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| O1 | C2 | sing | 1.35Å | 1.46Å | |
| C20 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C15 | sing | 1.38Å | 1.42Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C15 | sing | 1.51Å | 1.54Å | |
| C4 | C13 | sing | 1.53Å | 1.55Å | |
| C4 | C3 | sing | 1.51Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C34 | C13 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | doub | 1.35Å | 1.36Å | |
| C2 | N7 | sing | 1.37Å | 1.34Å | |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C8 | sing | 1.43Å | 1.29Å | |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C33 | sing | 1.51Å | 1.50Å | |
| C8 | N9 | trip | 1.14Å | 1.16Å | |
| F47 | C33 | sing | 1.40Å | 1.33Å | |
| C33 | F49 | sing | 1.40Å | 1.33Å | |
| C33 | F48 | sing | 1.40Å | 1.31Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| C56 | H11 | sing | 1.09Å | 1.10Å | |
| C56 | H12 | sing | 1.09Å | 1.10Å | |
| C62 | H13 | sing | 1.08Å | 1.08Å | |
| C61 | H14 | sing | 1.08Å | 1.08Å | |
| C60 | H15 | sing | 1.08Å | 1.08Å | |
| C59 | H16 | sing | 1.08Å | 1.08Å | |
| C58 | H17 | sing | 1.08Å | 1.08Å | |
| C40 | H18 | sing | 1.08Å | 1.08Å | |
| C39 | H19 | sing | 1.08Å | 1.08Å | |
| C42 | H20 | sing | 1.08Å | 1.08Å | |
| C43 | H21 | sing | 1.08Å | 1.08Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C34 | H23 | sing | 1.09Å | 1.10Å | |
| C34 | H24 | sing | 1.09Å | 1.10Å | |
| N7 | H25 | sing | 0.97Å | 1.00Å | |
| N7 | H26 | sing | 0.97Å | 1.00Å | |
| N54 | H27 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O51 | S44 | C56 | 101.3° | 110.6° |
| O51 | S44 | O52 | 108.2° | 121.0° |
| O51 | S44 | C41 | 108.9° | 104.3° |
| S44 | C56 | C57 | 116.9° | 109.4° |
| C56 | S44 | O52 | 113.2° | 110.5° |
| C56 | S44 | C41 | 113.4° | 104.4° |
| S44 | C56 | H11 | 107.5° | 109.5° |
| S44 | C56 | H12 | 107.6° | 109.5° |
| C56 | C57 | C58 | 117.4° | 119.9° |
| C56 | C57 | C62 | 123.6° | 120.0° |
| C57 | C56 | H11 | 107.6° | 109.5° |
| C57 | C56 | H12 | 107.6° | 109.5° |
| O52 | S44 | C41 | 111.3° | 104.3° |
| S44 | C41 | C40 | 120.7° | 119.8° |
| S44 | C41 | C42 | 120.1° | 119.9° |
| C57 | C58 | C59 | 120.4° | 120.0° |
| C58 | C57 | C62 | 119.0° | 120.0° |
| C57 | C58 | H17 | 119.8° | 120.0° |
| C58 | C59 | C60 | 120.1° | 120.0° |
| C58 | C59 | H16 | 120.0° | 120.0° |
| C59 | C58 | H17 | 119.8° | 120.0° |
| C57 | C62 | C61 | 120.6° | 120.0° |
| C57 | C62 | H13 | 119.7° | 120.0° |
| C41 | C40 | C39 | 120.9° | 120.1° |
| C40 | C41 | C42 | 119.2° | 120.2° |
| C41 | C40 | H18 | 119.6° | 120.0° |
| C40 | C39 | C32 | 119.8° | 119.9° |
| C39 | C40 | H18 | 119.5° | 119.9° |
| C40 | C39 | H19 | 120.1° | 120.1° |
| C41 | C42 | C43 | 119.7° | 120.1° |
| C41 | C42 | H20 | 120.2° | 119.9° |
| N11 | N54 | C10 | 115.2° | 108.1° |
| N54 | N11 | C6 | 103.1° | 108.1° |
| N11 | N54 | H27 | 122.4° | 125.9° |
| N54 | C10 | C12 | 123.2° | 126.2° |
| N54 | C10 | C5 | 105.9° | 107.6° |
| C10 | N54 | H27 | 122.4° | 126.0° |
| C59 | C60 | C61 | 120.1° | 120.0° |
| C59 | C60 | H15 | 119.9° | 120.1° |
| C60 | C59 | H16 | 120.0° | 119.9° |
| N11 | C6 | C5 | 114.5° | 108.0° |
| N11 | C6 | O1 | 126.9° | 130.0° |
| C62 | C61 | C60 | 119.9° | 120.0° |
| C61 | C62 | H13 | 119.7° | 120.0° |
| C62 | C61 | H14 | 120.0° | 120.0° |
| C39 | C32 | C43 | 119.4° | 119.8° |
| C39 | C32 | C19 | 120.4° | 120.1° |
| C32 | C39 | H19 | 120.1° | 120.1° |
| C12 | C10 | C5 | 130.9° | 126.2° |
| C10 | C12 | H1 | 109.5° | 109.5° |
| C10 | C12 | H2 | 109.4° | 109.5° |
| C10 | C12 | H3 | 109.5° | 109.5° |
| C10 | C5 | C6 | 101.2° | 108.1° |
| C10 | C5 | C4 | 135.4° | 129.6° |
| C60 | C61 | H14 | 120.1° | 120.0° |
| C61 | C60 | H15 | 120.0° | 120.0° |
| C42 | C43 | C32 | 121.1° | 119.9° |
| C43 | C42 | H20 | 120.2° | 120.0° |
| C42 | C43 | H21 | 119.5° | 120.0° |
| C5 | C6 | O1 | 118.6° | 122.0° |
| C6 | C5 | C4 | 123.4° | 122.3° |
| C6 | O1 | C2 | 120.3° | 117.3° |
| C43 | C32 | C19 | 120.2° | 120.1° |
| C32 | C43 | H21 | 119.4° | 120.1° |
| C32 | C19 | C20 | 122.3° | 120.1° |
| C32 | C19 | C18 | 118.0° | 120.1° |
| C5 | C4 | C15 | 110.5° | 109.7° |
| C5 | C4 | C13 | 108.2° | 109.8° |
| C5 | C4 | C3 | 111.3° | 108.2° |
| O1 | C2 | C3 | 122.3° | 124.6° |
| O1 | C2 | N7 | 115.2° | 117.7° |
| C19 | C20 | C15 | 120.8° | 119.9° |
| C20 | C19 | C18 | 119.7° | 119.8° |
| C19 | C20 | H10 | 119.6° | 120.0° |
| C20 | C15 | C4 | 122.9° | 120.0° |
| C20 | C15 | C16 | 117.5° | 120.1° |
| C15 | C20 | H10 | 119.6° | 120.1° |
| C19 | C18 | C17 | 120.7° | 119.9° |
| C19 | C18 | H9 | 119.6° | 120.1° |
| C15 | C4 | C13 | 112.7° | 109.7° |
| C15 | C4 | C3 | 107.2° | 109.7° |
| C4 | C15 | C16 | 119.7° | 119.9° |
| C13 | C4 | C3 | 106.9° | 109.7° |
| C4 | C13 | C14 | 112.4° | 109.5° |
| C4 | C13 | C34 | 115.8° | 109.5° |
| C4 | C13 | H4 | 105.9° | 109.5° |
| C4 | C3 | C2 | 122.3° | 123.0° |
| C4 | C3 | C8 | 116.6° | 118.5° |
| C14 | C13 | C34 | 109.9° | 109.4° |
| C14 | C13 | H4 | 106.1° | 109.4° |
| C13 | C14 | H5 | 109.5° | 109.5° |
| C13 | C14 | H6 | 109.4° | 109.5° |
| C13 | C14 | H7 | 109.4° | 109.5° |
| C15 | C16 | C17 | 121.3° | 120.3° |
| C15 | C16 | H8 | 119.3° | 119.8° |
| C34 | C13 | H4 | 106.0° | 109.4° |
| C13 | C34 | H22 | 109.5° | 109.4° |
| C13 | C34 | H23 | 109.5° | 109.5° |
| C13 | C34 | H24 | 109.5° | 109.4° |
| C3 | C2 | N7 | 122.5° | 117.7° |
| C2 | C3 | C8 | 121.1° | 118.5° |
| C2 | N7 | H25 | 109.5° | 120.0° |
| C2 | N7 | H26 | 109.4° | 120.0° |
| C18 | C17 | C16 | 119.9° | 120.1° |
| C18 | C17 | C33 | 120.0° | 119.9° |
| C17 | C18 | H9 | 119.6° | 120.0° |
| C3 | C8 | N9 | 179.4° | 179.9° |
| C16 | C17 | C33 | 120.1° | 120.0° |
| C17 | C16 | H8 | 119.3° | 119.9° |
| C17 | C33 | F47 | 109.4° | 109.4° |
| C17 | C33 | F49 | 113.9° | 109.5° |
| C17 | C33 | F48 | 104.1° | 109.5° |
| F47 | C33 | F49 | 110.5° | 109.4° |
| F47 | C33 | F48 | 110.5° | 109.5° |
| F49 | C33 | F48 | 108.3° | 109.5° |
| H1 | C12 | H2 | 109.4° | 109.5° |
| H1 | C12 | H3 | 109.5° | 109.5° |
| H2 | C12 | H3 | 109.5° | 109.5° |
| H5 | C14 | H6 | 109.5° | 109.4° |
| H5 | C14 | H7 | 109.5° | 109.5° |
| H6 | C14 | H7 | 109.5° | 109.4° |
| H11 | C56 | H12 | 109.4° | 109.5° |
| H22 | C34 | H23 | 109.4° | 109.5° |
| H22 | C34 | H24 | 109.5° | 109.5° |
| H23 | C34 | H24 | 109.5° | 109.5° |
| H25 | N7 | H26 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O51 | S44 | C56 | O52 | 115.6° | 136.8° |
| O51 | S44 | C56 | C41 | 116.5° | 111.6° |
| O51 | S44 | C56 | C57 | 176.4° | 68.4° |
| O51 | S44 | O52 | C41 | 119.6° | 116.8° |
| O51 | S44 | C41 | C40 | 30.6° | 26.4° |
| O51 | S44 | C41 | C42 | 150.0° | 153.9° |
| O51 | S44 | C56 | H11 | 55.3° | 171.7° |
| O51 | S44 | C56 | H12 | 62.5° | 51.6° |
| S44 | C56 | C57 | H11 | 121.1° | 119.9° |
| S44 | C56 | C57 | H12 | 121.1° | 120.0° |
| C56 | S44 | O52 | C41 | 129.0° | 111.7° |
| S44 | C56 | C57 | C58 | 147.8° | 90.3° |
| S44 | C56 | C57 | C62 | 32.5° | 90.1° |
| C56 | S44 | C41 | C40 | 81.3° | 89.7° |
| C56 | S44 | C41 | C42 | 98.1° | 90.0° |
| S44 | C56 | H11 | H12 | 116.6° | 120.0° |
| C57 | C56 | S44 | O52 | 68.0° | 68.4° |
| C57 | C56 | S44 | C41 | 59.9° | 179.9° |
| C56 | C57 | C58 | C62 | 179.8° | 179.6° |
| C56 | C57 | C58 | C59 | 180.0° | 179.7° |
| C56 | C57 | C62 | C61 | 179.8° | 180.0° |
| C57 | C56 | H11 | H12 | 116.6° | 120.0° |
| C56 | C57 | C62 | H13 | 0.2° | 0.1° |
| C56 | C57 | C58 | H17 | 0.1° | 0.1° |
| O52 | S44 | C41 | C40 | 149.8° | 154.3° |
| O52 | S44 | C41 | C42 | 30.8° | 26.0° |
| O52 | S44 | C56 | H11 | 170.9° | 51.6° |
| O52 | S44 | C56 | H12 | 53.1° | 171.6° |
| S44 | C41 | C40 | C42 | 179.4° | 179.7° |
| S44 | C41 | C40 | C39 | 178.3° | 180.0° |
| S44 | C41 | C42 | C43 | 178.9° | 180.0° |
| C41 | S44 | C56 | H11 | 61.2° | 60.0° |
| C41 | S44 | C56 | H12 | 179.0° | 60.0° |
| S44 | C41 | C40 | H18 | 1.7° | 0.1° |
| S44 | C41 | C42 | H20 | 1.1° | 0.1° |
| C57 | C58 | C59 | H17 | 180.0° | 179.7° |
| C57 | C58 | C59 | C60 | 0.1° | 0.6° |
| C58 | C57 | C62 | C61 | 0.4° | 0.3° |
| C58 | C57 | C56 | H11 | 26.7° | 149.7° |
| C58 | C57 | C56 | H12 | 91.1° | 29.7° |
| C58 | C57 | C62 | H13 | 179.6° | 179.7° |
| C57 | C58 | C59 | H16 | 179.9° | 179.7° |
| C59 | C58 | C57 | C62 | 0.2° | 0.6° |
| C58 | C59 | C60 | H16 | 180.0° | 179.7° |
| C58 | C59 | C60 | C61 | 0.1° | 0.2° |
| C58 | C59 | C60 | H15 | 179.9° | 179.7° |
| C57 | C62 | C61 | H13 | 180.0° | 179.9° |
| C57 | C62 | C61 | C60 | 0.5° | 0.0° |
| C62 | C57 | C56 | H11 | 153.5° | 29.9° |
| C62 | C57 | C56 | H12 | 88.6° | 149.9° |
| C57 | C62 | C61 | H14 | 179.6° | 179.9° |
| C62 | C57 | C58 | H17 | 179.7° | 179.7° |
| C41 | C40 | C39 | H18 | 180.0° | 179.9° |
| C41 | C40 | C39 | C32 | 1.7° | 0.0° |
| C40 | C41 | C42 | C43 | 0.5° | 0.3° |
| C41 | C40 | C39 | H19 | 178.3° | 179.9° |
| C40 | C41 | C42 | H20 | 179.5° | 179.8° |
| C39 | C40 | C41 | C42 | 1.1° | 0.3° |
| C40 | C39 | C32 | H19 | 180.0° | 180.0° |
| C40 | C39 | C32 | C43 | 1.8° | 0.2° |
| C40 | C39 | C32 | C19 | 179.4° | 180.0° |
| C41 | C42 | C43 | H20 | 180.0° | 179.9° |
| C41 | C42 | C43 | C32 | 0.5° | 0.1° |
| C42 | C41 | C40 | H18 | 178.9° | 179.8° |
| C41 | C42 | C43 | H21 | 179.5° | 180.0° |
| N11 | N54 | C10 | H27 | 180.0° | 180.0° |
| N11 | N54 | C10 | C12 | 178.8° | 180.0° |
| N11 | N54 | C10 | C5 | 0.1° | 0.0° |
| N54 | N11 | C6 | C5 | 0.1° | 0.1° |
| N54 | N11 | C6 | O1 | 179.2° | 179.8° |
| C10 | N54 | N11 | C6 | 0.1° | 0.1° |
| N54 | C10 | C12 | C5 | 178.3° | 180.0° |
| N54 | C10 | C5 | C6 | 0.0° | 0.1° |
| N54 | C10 | C5 | C4 | 179.8° | 179.9° |
| N54 | C10 | C12 | H1 | 89.3° | 90.0° |
| N54 | C10 | C12 | H2 | 150.7° | 30.0° |
| N54 | C10 | C12 | H3 | 30.7° | 150.0° |
| C59 | C60 | C61 | C62 | 0.3° | 0.0° |
| C59 | C60 | C61 | H15 | 180.0° | 180.0° |
| C59 | C60 | C61 | H14 | 179.7° | 180.0° |
| C60 | C59 | C58 | H17 | 179.9° | 179.7° |
| N11 | C6 | C5 | C10 | 0.0° | 0.1° |
| N11 | C6 | C5 | O1 | 179.2° | 179.7° |
| N11 | C6 | C5 | C4 | 179.9° | 179.9° |
| N11 | C6 | O1 | C2 | 169.2° | 166.7° |
| C6 | N11 | N54 | H27 | 179.9° | 180.0° |
| C62 | C61 | C60 | H14 | 180.0° | 179.9° |
| C62 | C61 | C60 | H15 | 179.7° | 180.0° |
| C39 | C32 | C43 | C42 | 1.2° | 0.2° |
| C39 | C32 | C43 | C19 | 177.6° | 179.8° |
| C39 | C32 | C19 | C20 | 43.4° | 179.8° |
| C39 | C32 | C19 | C18 | 136.0° | 0.0° |
| C32 | C39 | C40 | H18 | 178.3° | 180.0° |
| C39 | C32 | C43 | H21 | 178.8° | 179.7° |
| C12 | C10 | C5 | C6 | 178.5° | 179.9° |
| C12 | C10 | C5 | C4 | 1.3° | 0.1° |
| C10 | C12 | H1 | H2 | 120.0° | 120.0° |
| C10 | C12 | H1 | H3 | 120.0° | 120.0° |
| C10 | C12 | H2 | H3 | 120.0° | 120.0° |
| C12 | C10 | N54 | H27 | 1.2° | 0.1° |
| C10 | C5 | C6 | C4 | 179.9° | 180.0° |
| C10 | C5 | C6 | O1 | 179.2° | 179.8° |
| C10 | C5 | C4 | C15 | 51.0° | 72.2° |
| C10 | C5 | C4 | C13 | 72.8° | 48.4° |
| C10 | C5 | C4 | C3 | 170.0° | 168.1° |
| C5 | C10 | C12 | H1 | 89.0° | 90.0° |
| C5 | C10 | C12 | H2 | 31.0° | 150.0° |
| C5 | C10 | C12 | H3 | 151.0° | 30.0° |
| C5 | C10 | N54 | H27 | 179.9° | 180.0° |
| C60 | C61 | C62 | H13 | 179.6° | 179.9° |
| C61 | C60 | C59 | H16 | 179.8° | 179.9° |
| C42 | C43 | C32 | H21 | 180.0° | 179.9° |
| C42 | C43 | C32 | C19 | 178.8° | 180.0° |
| C5 | C6 | O1 | C2 | 11.7° | 13.7° |
| C6 | C5 | C4 | C15 | 128.8° | 107.7° |
| C6 | C5 | C4 | C13 | 107.3° | 131.6° |
| C6 | C5 | C4 | C3 | 9.9° | 11.9° |
| O1 | C6 | C5 | C4 | 0.9° | 0.2° |
| C6 | O1 | C2 | C3 | 11.1° | 13.9° |
| C6 | O1 | C2 | N7 | 168.5° | 166.4° |
| C43 | C32 | C19 | C20 | 139.0° | 0.4° |
| C43 | C32 | C19 | C18 | 41.6° | 179.8° |
| C43 | C32 | C39 | H19 | 178.2° | 179.8° |
| C32 | C43 | C42 | H20 | 179.5° | 180.0° |
| C32 | C19 | C20 | C18 | 179.3° | 179.8° |
| C32 | C19 | C20 | C15 | 179.2° | 179.7° |
| C32 | C19 | C18 | C17 | 178.7° | 180.0° |
| C32 | C19 | C18 | H9 | 1.3° | 0.0° |
| C32 | C19 | C20 | H10 | 0.8° | 0.2° |
| C19 | C32 | C39 | H19 | 0.6° | 0.0° |
| C19 | C32 | C43 | H21 | 1.2° | 0.1° |
| C5 | C4 | C15 | C20 | 20.8° | 67.2° |
| C5 | C4 | C15 | C13 | 121.2° | 120.7° |
| C5 | C4 | C15 | C3 | 121.4° | 118.7° |
| C5 | C4 | C13 | C3 | 119.9° | 118.7° |
| C5 | C4 | C13 | C14 | 76.3° | 177.6° |
| C5 | C4 | C15 | C16 | 159.3° | 112.5° |
| C5 | C4 | C13 | C34 | 51.2° | 57.6° |
| C5 | C4 | C3 | C2 | 10.7° | 12.1° |
| C5 | C4 | C3 | C8 | 170.9° | 167.8° |
| C5 | C4 | C13 | H4 | 168.3° | 62.4° |
| O1 | C2 | C3 | C4 | 1.2° | 0.1° |
| O1 | C2 | C3 | N7 | 179.6° | 179.7° |
| O1 | C2 | C3 | C8 | 179.5° | 180.0° |
| O1 | C2 | N7 | H25 | 0.0° | 179.7° |
| O1 | C2 | N7 | H26 | 120.0° | 0.2° |
| C19 | C20 | C15 | H10 | 180.0° | 179.5° |
| C19 | C20 | C15 | C4 | 179.9° | 179.7° |
| C19 | C20 | C15 | C16 | 0.0° | 0.5° |
| C20 | C19 | C18 | C17 | 0.7° | 0.2° |
| C20 | C19 | C18 | H9 | 179.3° | 179.8° |
| C15 | C20 | C19 | C18 | 0.1° | 0.5° |
| C20 | C15 | C4 | C16 | 179.8° | 179.8° |
| C20 | C15 | C4 | C13 | 142.1° | 172.1° |
| C20 | C15 | C4 | C3 | 100.6° | 51.4° |
| C20 | C15 | C16 | C17 | 0.5° | 0.2° |
| C20 | C15 | C16 | H8 | 179.5° | 179.8° |
| C19 | C18 | C17 | H9 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 1.1° | 0.0° |
| C19 | C18 | C17 | C33 | 179.2° | 180.0° |
| C18 | C19 | C20 | H10 | 179.9° | 180.0° |
| C15 | C4 | C13 | C3 | 117.5° | 120.6° |
| C15 | C4 | C13 | C14 | 46.3° | 61.7° |
| C15 | C4 | C13 | C34 | 173.8° | 178.3° |
| C15 | C4 | C3 | C2 | 131.7° | 107.5° |
| C15 | C4 | C3 | C8 | 49.9° | 72.6° |
| C4 | C15 | C16 | C17 | 179.7° | 180.0° |
| C15 | C4 | C13 | H4 | 69.2° | 58.3° |
| C4 | C15 | C16 | H8 | 0.3° | 0.1° |
| C4 | C15 | C20 | H10 | 0.1° | 0.2° |
| C4 | C13 | C14 | C34 | 130.6° | 120.0° |
| C4 | C13 | C14 | H4 | 115.3° | 120.0° |
| C13 | C4 | C15 | C16 | 38.1° | 8.2° |
| C4 | C13 | C34 | H4 | 117.0° | 120.0° |
| C13 | C4 | C3 | C2 | 107.2° | 131.9° |
| C13 | C4 | C3 | C8 | 71.2° | 48.0° |
| C4 | C13 | C14 | H5 | 180.0° | 157.2° |
| C4 | C13 | C14 | H6 | 60.0° | 37.2° |
| C4 | C13 | C14 | H7 | 60.0° | 82.8° |
| C4 | C13 | C34 | H22 | 180.0° | 60.0° |
| C4 | C13 | C34 | H23 | 60.0° | 180.0° |
| C4 | C13 | C34 | H24 | 60.0° | 60.0° |
| C3 | C4 | C13 | C14 | 163.8° | 58.9° |
| C3 | C4 | C15 | C16 | 79.3° | 128.8° |
| C3 | C4 | C13 | C34 | 68.7° | 61.1° |
| C4 | C3 | C2 | C8 | 178.3° | 179.9° |
| C4 | C3 | C2 | N7 | 179.2° | 179.8° |
| C4 | C3 | C8 | N9 | 133.2° | 84.8° |
| C3 | C4 | C13 | H4 | 48.3° | 178.9° |
| C14 | C13 | C34 | H4 | 114.3° | 119.9° |
| C13 | C14 | H5 | H6 | 120.0° | 120.0° |
| C13 | C14 | H5 | H7 | 120.0° | 120.0° |
| C13 | C14 | H6 | H7 | 120.0° | 120.0° |
| C14 | C13 | C34 | H22 | 51.3° | 180.0° |
| C14 | C13 | C34 | H23 | 171.3° | 60.0° |
| C14 | C13 | C34 | H24 | 68.7° | 60.0° |
| C15 | C16 | C17 | C18 | 1.0° | 0.0° |
| C15 | C16 | C17 | H8 | 180.0° | 179.9° |
| C15 | C16 | C17 | C33 | 179.1° | 180.0° |
| C16 | C15 | C20 | H10 | 180.0° | 180.0° |
| C34 | C13 | C14 | H5 | 49.5° | 82.8° |
| C34 | C13 | C14 | H6 | 70.5° | 157.2° |
| C34 | C13 | C14 | H7 | 169.5° | 37.2° |
| C13 | C34 | H22 | H23 | 120.0° | 120.0° |
| C13 | C34 | H22 | H24 | 120.0° | 119.9° |
| C13 | C34 | H23 | H24 | 120.0° | 120.0° |
| C2 | C3 | C8 | N9 | 48.4° | 95.3° |
| C3 | C2 | N7 | H25 | 179.6° | 0.0° |
| C3 | C2 | N7 | H26 | 60.4° | 180.0° |
| N7 | C2 | C3 | C8 | 0.9° | 0.3° |
| C2 | N7 | H25 | H26 | 120.0° | 180.0° |
| C18 | C17 | C16 | C33 | 178.1° | 180.0° |
| C18 | C17 | C33 | F47 | 39.8° | 150.0° |
| C18 | C17 | C33 | F49 | 164.0° | 90.1° |
| C18 | C17 | C33 | F48 | 78.3° | 30.0° |
| C18 | C17 | C16 | H8 | 179.0° | 179.9° |
| C16 | C17 | C33 | F47 | 142.1° | 30.0° |
| C16 | C17 | C33 | F49 | 17.9° | 90.0° |
| C16 | C17 | C33 | F48 | 99.8° | 150.0° |
| C16 | C17 | C18 | H9 | 178.9° | 179.9° |
| C17 | C33 | F47 | F49 | 126.2° | 120.0° |
| C17 | C33 | F47 | F48 | 114.1° | 120.0° |
| C17 | C33 | F49 | F48 | 115.3° | 120.1° |
| C33 | C17 | C16 | H8 | 0.9° | 0.1° |
| C33 | C17 | C18 | H9 | 0.7° | 0.0° |
| F47 | C33 | F49 | F48 | 121.1° | 120.0° |
| H1 | C12 | H2 | H3 | 120.0° | 120.0° |
| H4 | C13 | C14 | H5 | 64.7° | 37.1° |
| H4 | C13 | C14 | H6 | 175.3° | 82.9° |
| H4 | C13 | C14 | H7 | 55.3° | 157.1° |
| H4 | C13 | C34 | H22 | 63.0° | 60.0° |
| H4 | C13 | C34 | H23 | 57.0° | 60.0° |
| H4 | C13 | C34 | H24 | 177.0° | 180.0° |
| H5 | C14 | H6 | H7 | 120.0° | 119.9° |
| H13 | C62 | C61 | H14 | 0.4° | 0.0° |
| H14 | C61 | C60 | H15 | 0.3° | 0.0° |
| H15 | C60 | C59 | H16 | 0.1° | 0.0° |
| H16 | C59 | C58 | H17 | 0.1° | 0.0° |
| H18 | C40 | C39 | H19 | 1.7° | 0.0° |
| H20 | C42 | C43 | H21 | 0.5° | 0.1° |
| H22 | C34 | H23 | H24 | 120.0° | 120.1° |
