8A3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O52 | S44 | doub | 1.42Å | 1.44Å | |
| F67 | C56 | sing | 1.40Å | 1.33Å | |
| C55 | N51 | sing | 1.47Å | 1.49Å | |
| N51 | S44 | sing | 1.66Å | 1.64Å | |
| N51 | C54 | sing | 1.46Å | 1.50Å | |
| S44 | O53 | doub | 1.42Å | 1.44Å | |
| S44 | C41 | sing | 1.76Å | 1.60Å | |
| F65 | C56 | sing | 1.40Å | 1.33Å | |
| C42 | C41 | doub | 1.38Å | 1.40Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.40Å | Aromatic |
| C56 | C54 | sing | 1.53Å | 1.54Å | |
| C56 | F64 | sing | 1.40Å | 1.33Å | |
| C41 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| N63 | N11 | sing | 1.40Å | 1.40Å | Aromatic |
| N63 | C10 | sing | 1.35Å | 1.36Å | Aromatic |
| C43 | C32 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C10 | sing | 1.51Å | 1.51Å | |
| N11 | C6 | doub | 1.30Å | 1.34Å | Aromatic |
| C10 | C5 | doub | 1.34Å | 1.51Å | Aromatic |
| C40 | C39 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | C39 | sing | 1.39Å | 1.40Å | Aromatic |
| C32 | C19 | sing | 1.48Å | 1.49Å | |
| C6 | C5 | sing | 1.41Å | 1.47Å | Aromatic |
| C6 | O1 | sing | 1.36Å | 1.37Å | |
| C5 | C4 | sing | 1.51Å | 1.52Å | |
| C20 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C15 | sing | 1.38Å | 1.43Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| O1 | C2 | sing | 1.35Å | 1.46Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C4 | C15 | sing | 1.51Å | 1.55Å | |
| C4 | C13 | sing | 1.53Å | 1.55Å | |
| C4 | C3 | sing | 1.51Å | 1.55Å | |
| C15 | C16 | doub | 1.38Å | 1.43Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | C13 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | doub | 1.35Å | 1.36Å | |
| C2 | N7 | sing | 1.37Å | 1.34Å | |
| C3 | C8 | sing | 1.43Å | 1.27Å | |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C33 | sing | 1.51Å | 1.52Å | |
| F48 | C33 | sing | 1.40Å | 1.34Å | |
| C8 | N9 | trip | 1.14Å | 1.18Å | |
| C33 | F49 | sing | 1.40Å | 1.34Å | |
| C33 | F47 | sing | 1.40Å | 1.33Å | |
| C54 | H1 | sing | 1.09Å | 1.10Å | |
| C54 | H2 | sing | 1.09Å | 1.10Å | |
| C55 | H3 | sing | 1.09Å | 1.10Å | |
| C55 | H4 | sing | 1.09Å | 1.10Å | |
| C55 | H5 | sing | 1.09Å | 1.10Å | |
| C40 | H6 | sing | 1.08Å | 1.08Å | |
| C39 | H7 | sing | 1.08Å | 1.08Å | |
| C42 | H8 | sing | 1.08Å | 1.08Å | |
| C43 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C34 | H14 | sing | 1.09Å | 1.10Å | |
| C34 | H15 | sing | 1.09Å | 1.10Å | |
| C34 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| N7 | H20 | sing | 0.97Å | 1.00Å | |
| N7 | H21 | sing | 0.97Å | 1.00Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| N63 | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O52 | S44 | N51 | 102.9° | 106.4° |
| O52 | S44 | O53 | 111.2° | 123.1° |
| O52 | S44 | C41 | 111.7° | 106.4° |
| F67 | C56 | F65 | 109.5° | 109.4° |
| F67 | C56 | C54 | 109.9° | 109.4° |
| F67 | C56 | F64 | 108.9° | 109.5° |
| C55 | N51 | S44 | 113.2° | 120.0° |
| C55 | N51 | C54 | 113.3° | 120.0° |
| N51 | C55 | H3 | 109.5° | 109.4° |
| N51 | C55 | H4 | 109.5° | 109.5° |
| N51 | C55 | H5 | 109.5° | 109.4° |
| S44 | N51 | C54 | 116.0° | 120.0° |
| N51 | S44 | O53 | 109.3° | 106.4° |
| N51 | S44 | C41 | 114.5° | 107.2° |
| N51 | C54 | C56 | 110.6° | 109.5° |
| N51 | C54 | H1 | 109.2° | 109.5° |
| N51 | C54 | H2 | 109.2° | 109.5° |
| O53 | S44 | C41 | 107.3° | 106.4° |
| S44 | C41 | C42 | 123.7° | 119.8° |
| S44 | C41 | C40 | 116.8° | 119.9° |
| F65 | C56 | C54 | 110.9° | 109.5° |
| F65 | C56 | F64 | 108.0° | 109.5° |
| C41 | C42 | C43 | 119.7° | 120.1° |
| C42 | C41 | C40 | 119.5° | 120.3° |
| C41 | C42 | H8 | 120.2° | 120.0° |
| C42 | C43 | C32 | 120.3° | 119.9° |
| C43 | C42 | H8 | 120.1° | 119.9° |
| C42 | C43 | H9 | 119.8° | 120.1° |
| C54 | C56 | F64 | 109.6° | 109.5° |
| C56 | C54 | H1 | 109.2° | 109.4° |
| C56 | C54 | H2 | 109.2° | 109.5° |
| C41 | C40 | C39 | 120.6° | 120.1° |
| C41 | C40 | H6 | 119.7° | 120.0° |
| N11 | N63 | C10 | 114.1° | 108.1° |
| N63 | N11 | C6 | 104.0° | 108.1° |
| N11 | N63 | H25 | 123.0° | 126.0° |
| N63 | C10 | C12 | 122.9° | 126.2° |
| N63 | C10 | C5 | 106.8° | 107.7° |
| C10 | N63 | H25 | 122.9° | 126.0° |
| C43 | C32 | C39 | 119.1° | 119.7° |
| C43 | C32 | C19 | 122.8° | 120.1° |
| C32 | C43 | H9 | 119.9° | 120.0° |
| C12 | C10 | C5 | 130.3° | 126.1° |
| C10 | C12 | H22 | 109.5° | 109.4° |
| C10 | C12 | H23 | 109.5° | 109.5° |
| C10 | C12 | H24 | 109.5° | 109.5° |
| N11 | C6 | C5 | 115.0° | 108.0° |
| N11 | C6 | O1 | 125.5° | 130.0° |
| C10 | C5 | C6 | 100.1° | 108.1° |
| C10 | C5 | C4 | 136.6° | 129.7° |
| C40 | C39 | C32 | 120.7° | 119.9° |
| C39 | C40 | H6 | 119.7° | 119.9° |
| C40 | C39 | H7 | 119.7° | 120.1° |
| C39 | C32 | C19 | 118.0° | 120.1° |
| C32 | C39 | H7 | 119.6° | 120.1° |
| C32 | C19 | C20 | 124.9° | 120.1° |
| C32 | C19 | C18 | 115.6° | 120.1° |
| C5 | C6 | O1 | 119.4° | 122.0° |
| C6 | C5 | C4 | 123.3° | 122.2° |
| C6 | O1 | C2 | 120.3° | 117.4° |
| C5 | C4 | C15 | 111.4° | 109.7° |
| C5 | C4 | C13 | 107.0° | 109.8° |
| C5 | C4 | C3 | 110.8° | 108.2° |
| C19 | C20 | C15 | 120.9° | 119.8° |
| C20 | C19 | C18 | 119.5° | 119.8° |
| C19 | C20 | H12 | 119.6° | 120.1° |
| C20 | C15 | C4 | 122.9° | 119.9° |
| C20 | C15 | C16 | 116.8° | 120.2° |
| C15 | C20 | H12 | 119.5° | 120.1° |
| C19 | C18 | C17 | 122.2° | 119.9° |
| C19 | C18 | H10 | 118.9° | 120.0° |
| O1 | C2 | C3 | 122.4° | 124.5° |
| O1 | C2 | N7 | 114.1° | 117.7° |
| C14 | C13 | C4 | 113.3° | 109.5° |
| C14 | C13 | C34 | 109.9° | 109.4° |
| C14 | C13 | H13 | 106.0° | 109.4° |
| C13 | C14 | H17 | 109.5° | 109.4° |
| C13 | C14 | H18 | 109.5° | 109.4° |
| C13 | C14 | H19 | 109.5° | 109.4° |
| C15 | C4 | C13 | 112.4° | 109.7° |
| C15 | C4 | C3 | 107.2° | 109.7° |
| C4 | C15 | C16 | 120.4° | 119.9° |
| C13 | C4 | C3 | 108.1° | 109.7° |
| C4 | C13 | C34 | 115.1° | 109.5° |
| C4 | C13 | H13 | 105.8° | 109.5° |
| C4 | C3 | C2 | 122.1° | 123.1° |
| C4 | C3 | C8 | 117.9° | 118.5° |
| C15 | C16 | C17 | 121.8° | 120.2° |
| C15 | C16 | H11 | 119.1° | 119.9° |
| C18 | C17 | C16 | 118.7° | 120.1° |
| C18 | C17 | C33 | 116.7° | 119.9° |
| C17 | C18 | H10 | 118.9° | 120.1° |
| C34 | C13 | H13 | 105.9° | 109.5° |
| C13 | C34 | H14 | 109.5° | 109.5° |
| C13 | C34 | H15 | 109.5° | 109.5° |
| C13 | C34 | H16 | 109.5° | 109.5° |
| C3 | C2 | N7 | 123.5° | 117.7° |
| C2 | C3 | C8 | 120.0° | 118.5° |
| C2 | N7 | H20 | 109.5° | 120.0° |
| C2 | N7 | H21 | 109.5° | 120.0° |
| C3 | C8 | N9 | 179.2° | 180.0° |
| C16 | C17 | C33 | 124.6° | 119.9° |
| C17 | C16 | H11 | 119.1° | 119.9° |
| C17 | C33 | F48 | 105.7° | 109.5° |
| C17 | C33 | F49 | 111.1° | 109.5° |
| C17 | C33 | F47 | 111.5° | 109.4° |
| F48 | C33 | F49 | 108.5° | 109.5° |
| F48 | C33 | F47 | 112.8° | 109.5° |
| F49 | C33 | F47 | 107.3° | 109.4° |
| H1 | C54 | H2 | 109.5° | 109.4° |
| H3 | C55 | H4 | 109.5° | 109.5° |
| H3 | C55 | H5 | 109.4° | 109.5° |
| H4 | C55 | H5 | 109.5° | 109.5° |
| H14 | C34 | H15 | 109.5° | 109.5° |
| H14 | C34 | H16 | 109.5° | 109.5° |
| H15 | C34 | H16 | 109.5° | 109.4° |
| H17 | C14 | H18 | 109.4° | 109.6° |
| H17 | C14 | H19 | 109.5° | 109.5° |
| H18 | C14 | H19 | 109.4° | 109.5° |
| H20 | N7 | H21 | 109.5° | 120.0° |
| H22 | C12 | H23 | 109.5° | 109.4° |
| H22 | C12 | H24 | 109.4° | 109.5° |
| H23 | C12 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O52 | S44 | N51 | C55 | 67.3° | 23.5° |
| O52 | S44 | N51 | O53 | 118.2° | 132.9° |
| O52 | S44 | N51 | C41 | 121.5° | 113.5° |
| O52 | S44 | N51 | C54 | 159.4° | 156.5° |
| O52 | S44 | O53 | C41 | 122.4° | 123.0° |
| O52 | S44 | C41 | C42 | 10.5° | 156.2° |
| O52 | S44 | C41 | C40 | 169.7° | 23.5° |
| F67 | C56 | C54 | N51 | 48.4° | 60.1° |
| F67 | C56 | F65 | C54 | 121.5° | 119.9° |
| F67 | C56 | F65 | F64 | 118.4° | 120.0° |
| F67 | C56 | C54 | F64 | 119.6° | 120.0° |
| F67 | C56 | C54 | H1 | 168.6° | 180.0° |
| F67 | C56 | C54 | H2 | 71.8° | 60.0° |
| C55 | N51 | S44 | C54 | 133.3° | 180.0° |
| C55 | N51 | S44 | O53 | 174.5° | 156.4° |
| C55 | N51 | S44 | C41 | 54.1° | 90.0° |
| C55 | N51 | C54 | C56 | 101.3° | 85.0° |
| C55 | N51 | C54 | H1 | 138.5° | 155.0° |
| C55 | N51 | C54 | H2 | 18.8° | 35.0° |
| N51 | C55 | H3 | H4 | 120.0° | 120.0° |
| N51 | C55 | H3 | H5 | 120.0° | 120.0° |
| N51 | C55 | H4 | H5 | 120.0° | 120.0° |
| N51 | S44 | O53 | C41 | 124.7° | 114.1° |
| N51 | S44 | C41 | C42 | 106.0° | 90.3° |
| S44 | N51 | C54 | C56 | 125.4° | 95.0° |
| N51 | S44 | C41 | C40 | 73.9° | 90.0° |
| S44 | N51 | C54 | H1 | 5.2° | 25.0° |
| S44 | N51 | C54 | H2 | 114.4° | 145.0° |
| S44 | N51 | C55 | H3 | 180.0° | 90.0° |
| S44 | N51 | C55 | H4 | 60.0° | 150.0° |
| S44 | N51 | C55 | H5 | 60.0° | 30.0° |
| C54 | N51 | S44 | O53 | 41.2° | 23.6° |
| C54 | N51 | S44 | C41 | 79.2° | 90.0° |
| N51 | C54 | C56 | F65 | 72.9° | 180.0° |
| N51 | C54 | C56 | H1 | 120.2° | 120.0° |
| N51 | C54 | C56 | H2 | 120.2° | 120.0° |
| N51 | C54 | C56 | F64 | 168.0° | 59.9° |
| N51 | C54 | H1 | H2 | 119.5° | 120.0° |
| C54 | N51 | C55 | H3 | 45.4° | 90.0° |
| C54 | N51 | C55 | H4 | 74.6° | 30.0° |
| C54 | N51 | C55 | H5 | 165.4° | 150.0° |
| O53 | S44 | C41 | C42 | 132.6° | 23.3° |
| O53 | S44 | C41 | C40 | 47.6° | 156.5° |
| S44 | C41 | C42 | C40 | 179.8° | 179.7° |
| S44 | C41 | C42 | C43 | 178.3° | 180.0° |
| S44 | C41 | C40 | C39 | 179.2° | 180.0° |
| S44 | C41 | C40 | H6 | 0.8° | 0.0° |
| S44 | C41 | C42 | H8 | 1.7° | 0.0° |
| F65 | C56 | C54 | F64 | 119.1° | 120.1° |
| F65 | C56 | C54 | H1 | 47.3° | 60.0° |
| F65 | C56 | C54 | H2 | 166.9° | 59.9° |
| C41 | C42 | C43 | H8 | 180.0° | 180.0° |
| C41 | C42 | C43 | C32 | 1.9° | 0.0° |
| C42 | C41 | C40 | C39 | 0.6° | 0.2° |
| C42 | C41 | C40 | H6 | 179.4° | 179.8° |
| C41 | C42 | C43 | H9 | 178.2° | 180.0° |
| C43 | C42 | C41 | C40 | 1.5° | 0.2° |
| C42 | C43 | C32 | H9 | 180.0° | 180.0° |
| C42 | C43 | C32 | C39 | 1.4° | 0.2° |
| C42 | C43 | C32 | C19 | 178.9° | 180.0° |
| C56 | C54 | H1 | H2 | 119.5° | 120.0° |
| F64 | C56 | C54 | H1 | 71.8° | 60.1° |
| F64 | C56 | C54 | H2 | 47.9° | 180.0° |
| C41 | C40 | C39 | H6 | 180.0° | 180.0° |
| C41 | C40 | C39 | C32 | 0.2° | 0.0° |
| C41 | C40 | C39 | H7 | 179.8° | 180.0° |
| C40 | C41 | C42 | H8 | 178.5° | 179.7° |
| N11 | N63 | C10 | H25 | 180.0° | 179.9° |
| N11 | N63 | C10 | C12 | 178.8° | 179.9° |
| N11 | N63 | C10 | C5 | 0.3° | 0.0° |
| N63 | N11 | C6 | C5 | 1.0° | 0.0° |
| N63 | N11 | C6 | O1 | 179.5° | 179.8° |
| N63 | C10 | C12 | C5 | 178.8° | 180.0° |
| C10 | N63 | N11 | C6 | 0.8° | 0.0° |
| N63 | C10 | C5 | C6 | 0.3° | 0.0° |
| N63 | C10 | C5 | C4 | 179.2° | 179.9° |
| N63 | C10 | C12 | H22 | 89.5° | 90.0° |
| N63 | C10 | C12 | H23 | 150.5° | 30.0° |
| N63 | C10 | C12 | H24 | 30.5° | 150.0° |
| C43 | C32 | C39 | C40 | 0.5° | 0.2° |
| C43 | C32 | C39 | C19 | 177.6° | 179.7° |
| C43 | C32 | C19 | C20 | 41.8° | 179.7° |
| C43 | C32 | C19 | C18 | 137.1° | 0.0° |
| C43 | C32 | C39 | H7 | 179.4° | 179.8° |
| C32 | C43 | C42 | H8 | 178.1° | 180.0° |
| C12 | C10 | C5 | C6 | 179.2° | 179.9° |
| C12 | C10 | C5 | C4 | 0.3° | 0.2° |
| C10 | C12 | H22 | H23 | 120.0° | 120.0° |
| C10 | C12 | H22 | H24 | 120.0° | 120.0° |
| C10 | C12 | H23 | H24 | 120.0° | 120.0° |
| C12 | C10 | N63 | H25 | 1.2° | 0.0° |
| N11 | C6 | C5 | C10 | 0.8° | 0.0° |
| N11 | C6 | C5 | O1 | 179.5° | 179.8° |
| N11 | C6 | C5 | C4 | 178.8° | 179.9° |
| N11 | C6 | O1 | C2 | 168.1° | 166.8° |
| C6 | N11 | N63 | H25 | 179.3° | 179.9° |
| C10 | C5 | C6 | C4 | 179.6° | 179.9° |
| C10 | C5 | C6 | O1 | 179.6° | 179.8° |
| C10 | C5 | C4 | C15 | 50.8° | 48.4° |
| C10 | C5 | C4 | C13 | 72.4° | 72.2° |
| C10 | C5 | C4 | C3 | 170.0° | 168.1° |
| C5 | C10 | C12 | H22 | 89.3° | 90.1° |
| C5 | C10 | C12 | H23 | 30.7° | 150.0° |
| C5 | C10 | C12 | H24 | 150.7° | 30.0° |
| C5 | C10 | N63 | H25 | 179.8° | 179.9° |
| C40 | C39 | C32 | H7 | 180.0° | 180.0° |
| C40 | C39 | C32 | C19 | 178.2° | 180.0° |
| C39 | C32 | C19 | C20 | 140.7° | 0.5° |
| C39 | C32 | C19 | C18 | 40.5° | 179.8° |
| C32 | C39 | C40 | H6 | 179.9° | 180.0° |
| C39 | C32 | C43 | H9 | 178.6° | 179.8° |
| C32 | C19 | C20 | C18 | 178.8° | 179.7° |
| C32 | C19 | C20 | C15 | 179.5° | 179.7° |
| C32 | C19 | C18 | C17 | 179.4° | 180.0° |
| C19 | C32 | C39 | H7 | 1.8° | 0.0° |
| C19 | C32 | C43 | H9 | 1.1° | 0.0° |
| C32 | C19 | C18 | H10 | 0.6° | 0.0° |
| C32 | C19 | C20 | H12 | 0.5° | 0.0° |
| C5 | C6 | O1 | C2 | 11.4° | 13.0° |
| C6 | C5 | C4 | C15 | 128.6° | 131.7° |
| C6 | C5 | C4 | C13 | 108.2° | 107.7° |
| C6 | C5 | C4 | C3 | 9.4° | 12.0° |
| O1 | C6 | C5 | C4 | 0.8° | 0.3° |
| C6 | O1 | C2 | C3 | 11.0° | 13.3° |
| C6 | O1 | C2 | N7 | 168.9° | 166.7° |
| C5 | C4 | C15 | C20 | 19.8° | 65.2° |
| C5 | C4 | C13 | C14 | 75.6° | 54.8° |
| C5 | C4 | C15 | C13 | 120.1° | 120.7° |
| C5 | C4 | C15 | C3 | 121.3° | 118.7° |
| C5 | C4 | C13 | C3 | 119.3° | 118.7° |
| C5 | C4 | C15 | C16 | 160.6° | 115.4° |
| C5 | C4 | C13 | C34 | 52.1° | 174.7° |
| C5 | C4 | C3 | C2 | 10.0° | 12.2° |
| C5 | C4 | C3 | C8 | 171.1° | 167.8° |
| C5 | C4 | C13 | H13 | 168.7° | 65.2° |
| C19 | C20 | C15 | H12 | 180.0° | 179.7° |
| C19 | C20 | C15 | C4 | 179.5° | 180.0° |
| C19 | C20 | C15 | C16 | 0.2° | 0.6° |
| C20 | C19 | C18 | C17 | 1.6° | 0.3° |
| C20 | C19 | C18 | H10 | 178.3° | 179.7° |
| C15 | C20 | C19 | C18 | 0.7° | 0.6° |
| C20 | C15 | C4 | C16 | 179.6° | 179.4° |
| C20 | C15 | C4 | C13 | 139.8° | 174.1° |
| C20 | C15 | C4 | C3 | 101.5° | 53.5° |
| C20 | C15 | C16 | C17 | 0.6° | 0.4° |
| C20 | C15 | C16 | H11 | 179.4° | 179.8° |
| C19 | C18 | C17 | H10 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 2.1° | 0.0° |
| C19 | C18 | C17 | C33 | 179.7° | 179.9° |
| C18 | C19 | C20 | H12 | 179.3° | 179.7° |
| O1 | C2 | C3 | C4 | 0.7° | 0.3° |
| O1 | C2 | C3 | N7 | 179.9° | 179.9° |
| O1 | C2 | C3 | C8 | 179.6° | 179.7° |
| O1 | C2 | N7 | H20 | 0.0° | 179.9° |
| O1 | C2 | N7 | H21 | 120.0° | 0.1° |
| C14 | C13 | C4 | C15 | 47.0° | 175.4° |
| C14 | C13 | C4 | C34 | 127.7° | 119.9° |
| C14 | C13 | C4 | H13 | 115.7° | 120.0° |
| C14 | C13 | C4 | C3 | 165.1° | 63.9° |
| C14 | C13 | C34 | H13 | 114.1° | 120.0° |
| C14 | C13 | C34 | H14 | 180.0° | 52.3° |
| C14 | C13 | C34 | H15 | 60.0° | 67.7° |
| C14 | C13 | C34 | H16 | 60.0° | 172.4° |
| C13 | C14 | H17 | H18 | 120.0° | 120.0° |
| C13 | C14 | H17 | H19 | 120.0° | 119.9° |
| C13 | C14 | H18 | H19 | 120.0° | 120.0° |
| C15 | C4 | C13 | C3 | 118.1° | 120.6° |
| C15 | C4 | C13 | C34 | 174.6° | 64.6° |
| C15 | C4 | C3 | C2 | 131.7° | 131.9° |
| C15 | C4 | C3 | C8 | 49.4° | 48.1° |
| C4 | C15 | C16 | C17 | 179.0° | 179.8° |
| C4 | C15 | C16 | H11 | 1.0° | 0.4° |
| C4 | C15 | C20 | H12 | 0.5° | 0.3° |
| C15 | C4 | C13 | H13 | 68.8° | 55.4° |
| C13 | C4 | C15 | C16 | 40.5° | 5.3° |
| C4 | C13 | C34 | H13 | 116.5° | 120.1° |
| C13 | C4 | C3 | C2 | 106.9° | 107.5° |
| C13 | C4 | C3 | C8 | 72.0° | 72.5° |
| C4 | C13 | C34 | H14 | 50.6° | 67.6° |
| C4 | C13 | C34 | H15 | 69.4° | 172.3° |
| C4 | C13 | C34 | H16 | 170.6° | 52.4° |
| C4 | C13 | C14 | H17 | 180.0° | 180.0° |
| C4 | C13 | C14 | H18 | 60.0° | 60.0° |
| C4 | C13 | C14 | H19 | 60.0° | 60.0° |
| C3 | C4 | C15 | C16 | 78.1° | 125.9° |
| C3 | C4 | C13 | C34 | 67.2° | 56.0° |
| C4 | C3 | C2 | C8 | 178.9° | 180.0° |
| C4 | C3 | C2 | N7 | 179.5° | 179.8° |
| C4 | C3 | C8 | N9 | 19.4° | 173.8° |
| C3 | C4 | C13 | H13 | 49.3° | 176.1° |
| C15 | C16 | C17 | C18 | 1.6° | 0.1° |
| C15 | C16 | C17 | H11 | 180.0° | 179.8° |
| C15 | C16 | C17 | C33 | 179.6° | 180.0° |
| C16 | C15 | C20 | H12 | 179.8° | 179.7° |
| C18 | C17 | C16 | C33 | 178.1° | 179.9° |
| C18 | C17 | C33 | F48 | 69.4° | 120.0° |
| C18 | C17 | C33 | F49 | 48.1° | 0.0° |
| C18 | C17 | C33 | F47 | 167.7° | 120.0° |
| C18 | C17 | C16 | H11 | 178.4° | 179.9° |
| C13 | C34 | H14 | H15 | 120.0° | 120.0° |
| C13 | C34 | H14 | H16 | 120.0° | 120.0° |
| C13 | C34 | H15 | H16 | 120.0° | 119.9° |
| C34 | C13 | C14 | H17 | 49.6° | 60.1° |
| C34 | C13 | C14 | H18 | 70.4° | 60.0° |
| C34 | C13 | C14 | H19 | 169.7° | 180.0° |
| C2 | C3 | C8 | N9 | 159.5° | 6.2° |
| C3 | C2 | N7 | H20 | 179.9° | 0.0° |
| C3 | C2 | N7 | H21 | 60.1° | 180.0° |
| N7 | C2 | C3 | C8 | 0.6° | 0.2° |
| C2 | N7 | H20 | H21 | 120.0° | 180.0° |
| C16 | C17 | C33 | F48 | 108.7° | 59.9° |
| C16 | C17 | C33 | F49 | 133.8° | 179.9° |
| C16 | C17 | C33 | F47 | 14.2° | 60.1° |
| C16 | C17 | C18 | H10 | 177.9° | 179.9° |
| C17 | C33 | F48 | F49 | 119.2° | 120.0° |
| C17 | C33 | F48 | F47 | 122.1° | 120.0° |
| C17 | C33 | F49 | F47 | 122.1° | 120.0° |
| C33 | C17 | C18 | H10 | 0.3° | 0.0° |
| C33 | C17 | C16 | H11 | 0.4° | 0.2° |
| F48 | C33 | F49 | F47 | 122.2° | 120.0° |
| H3 | C55 | H4 | H5 | 119.9° | 120.1° |
| H6 | C40 | C39 | H7 | 0.2° | 0.0° |
| H8 | C42 | C43 | H9 | 1.9° | 0.1° |
| H13 | C13 | C34 | H14 | 65.9° | 172.3° |
| H13 | C13 | C34 | H15 | 174.1° | 52.2° |
| H13 | C13 | C34 | H16 | 54.1° | 67.7° |
| H13 | C13 | C14 | H17 | 64.4° | 59.9° |
| H13 | C13 | C14 | H18 | 175.6° | 180.0° |
| H13 | C13 | C14 | H19 | 55.7° | 60.0° |
| H14 | C34 | H15 | H16 | 120.0° | 120.0° |
| H17 | C14 | H18 | H19 | 120.0° | 120.1° |
| H22 | C12 | H23 | H24 | 120.0° | 120.0° |
