G77
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C13 | sing | 1.53Å | 1.54Å | |
| C27 | C31 | sing | 1.55Å | 1.53Å | |
| C27 | C28 | sing | 1.56Å | 1.51Å | |
| C27 | C26 | sing | 1.54Å | 1.51Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C30 | C31 | sing | 1.58Å | 1.53Å | |
| C30 | O29 | sing | 1.44Å | 1.42Å | |
| C31 | C24 | sing | 1.53Å | 1.52Å | |
| C28 | O29 | sing | 1.43Å | 1.41Å | |
| C28 | O42 | sing | 1.43Å | 1.42Å | |
| C26 | C41 | sing | 1.55Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C24 | O23 | sing | 1.45Å | 1.44Å | |
| C24 | C25 | sing | 1.52Å | 1.52Å | |
| O22 | C21 | doub | 1.22Å | 1.25Å | |
| O42 | C41 | sing | 1.44Å | 1.43Å | |
| C12 | N11 | sing | 1.46Å | 1.45Å | |
| O23 | C21 | sing | 1.35Å | 1.35Å | |
| C41 | C25 | sing | 1.54Å | 1.50Å | |
| C21 | N20 | sing | 1.35Å | 1.34Å | |
| O10 | S8 | doub | 1.42Å | 1.48Å | |
| C57 | C56 | sing | 1.53Å | 1.51Å | |
| C57 | C55 | sing | 1.53Å | 1.52Å | |
| N11 | S8 | sing | 1.66Å | 1.64Å | |
| N11 | C16 | sing | 1.47Å | 1.44Å | |
| N20 | C19 | sing | 1.47Å | 1.47Å | |
| S51 | C3 | sing | 1.76Å | 1.74Å | Aromatic |
| S51 | C53 | sing | 1.76Å | 1.74Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C17 | O18 | sing | 1.43Å | 1.42Å | |
| S8 | C5 | sing | 1.76Å | 1.74Å | |
| S8 | O9 | doub | 1.42Å | 1.45Å | |
| C56 | C55 | sing | 1.53Å | 1.52Å | |
| C19 | C32 | sing | 1.53Å | 1.53Å | |
| C55 | N54 | sing | 1.47Å | 1.46Å | |
| C3 | C2 | sing | 1.40Å | 1.35Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C53 | N54 | sing | 1.38Å | 1.31Å | |
| C53 | N52 | doub | 1.29Å | 1.32Å | Aromatic |
| F62 | C36 | sing | 1.35Å | 1.38Å | |
| C37 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | N52 | sing | 1.35Å | 1.35Å | Aromatic |
| C2 | C7 | doub | 1.41Å | 1.36Å | Aromatic |
| C32 | C38 | sing | 1.51Å | 1.53Å | |
| C38 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.37Å | 1.40Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | F61 | sing | 1.35Å | 1.38Å | |
| N54 | H1 | sing | 0.97Å | 1.00Å | |
| C55 | H2 | sing | 1.09Å | 1.10Å | |
| C56 | H3 | sing | 1.09Å | 1.10Å | |
| C56 | H4 | sing | 1.09Å | 1.10Å | |
| C57 | H5 | sing | 1.09Å | 1.10Å | |
| C57 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| O18 | H22 | sing | 0.97Å | 0.95Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| N20 | H24 | sing | 0.97Å | 1.00Å | |
| C32 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| C33 | H27 | sing | 1.08Å | 1.08Å | |
| C35 | H28 | sing | 1.08Å | 1.08Å | |
| C37 | H29 | sing | 1.08Å | 1.08Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| C41 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C13 | C14 | 111.7° | 109.5° |
| C15 | C13 | C12 | 109.5° | 109.5° |
| C15 | C13 | H12 | 108.4° | 109.4° |
| C13 | C15 | H16 | 109.5° | 109.5° |
| C13 | C15 | H17 | 109.5° | 109.4° |
| C13 | C15 | H18 | 109.5° | 109.5° |
| C31 | C27 | C28 | 105.7° | 99.8° |
| C31 | C27 | C26 | 112.5° | 111.6° |
| C27 | C31 | C30 | 101.6° | 97.0° |
| C27 | C31 | C24 | 115.6° | 112.2° |
| C31 | C27 | H35 | 112.1° | 113.4° |
| C27 | C31 | H39 | 108.9° | 114.3° |
| C28 | C27 | C26 | 101.0° | 103.0° |
| C27 | C28 | O29 | 104.4° | 105.9° |
| C27 | C28 | O42 | 106.5° | 105.3° |
| C28 | C27 | H35 | 112.4° | 113.9° |
| C27 | C28 | H36 | 112.3° | 111.0° |
| C27 | C26 | C41 | 97.7° | 99.9° |
| C27 | C26 | H33 | 112.3° | 111.4° |
| C27 | C26 | H34 | 112.3° | 111.4° |
| C26 | C27 | H35 | 112.4° | 113.9° |
| C14 | C13 | C12 | 110.1° | 109.5° |
| C14 | C13 | H12 | 108.4° | 109.5° |
| C13 | C14 | H13 | 109.5° | 109.5° |
| C13 | C14 | H14 | 109.5° | 109.5° |
| C13 | C14 | H15 | 109.5° | 109.4° |
| C31 | C30 | O29 | 104.7° | 102.1° |
| C30 | C31 | C24 | 112.5° | 101.8° |
| C31 | C30 | H37 | 110.6° | 110.8° |
| C31 | C30 | H38 | 110.6° | 110.9° |
| C30 | C31 | H39 | 109.0° | 115.6° |
| C30 | O29 | C28 | 113.7° | 109.3° |
| O29 | C30 | H37 | 110.6° | 110.9° |
| O29 | C30 | H38 | 110.6° | 110.9° |
| C31 | C24 | O23 | 109.5° | 108.4° |
| C31 | C24 | C25 | 111.1° | 114.7° |
| C31 | C24 | H30 | 110.4° | 108.3° |
| C24 | C31 | H39 | 109.0° | 114.1° |
| O29 | C28 | O42 | 105.0° | 111.7° |
| O29 | C28 | H36 | 114.0° | 111.0° |
| C28 | O42 | C41 | 107.7° | 110.9° |
| O42 | C28 | H36 | 113.9° | 111.7° |
| C26 | C41 | O42 | 102.5° | 105.5° |
| C26 | C41 | C25 | 111.9° | 103.6° |
| C41 | C26 | H33 | 112.3° | 111.3° |
| C41 | C26 | H34 | 112.3° | 111.3° |
| C26 | C41 | H40 | 109.9° | 112.7° |
| C13 | C12 | N11 | 113.6° | 109.5° |
| C13 | C12 | H10 | 108.4° | 109.4° |
| C13 | C12 | H11 | 108.4° | 109.4° |
| C12 | C13 | H12 | 108.5° | 109.5° |
| O23 | C24 | C25 | 103.6° | 108.4° |
| C24 | O23 | C21 | 120.6° | 117.0° |
| O23 | C24 | H30 | 111.6° | 108.4° |
| C24 | C25 | C41 | 116.1° | 108.7° |
| C25 | C24 | H30 | 110.5° | 108.4° |
| C24 | C25 | H31 | 107.8° | 109.6° |
| C24 | C25 | H32 | 107.8° | 109.6° |
| O22 | C21 | O23 | 120.3° | 120.0° |
| O22 | C21 | N20 | 125.4° | 120.0° |
| O42 | C41 | C25 | 111.0° | 108.8° |
| O42 | C41 | H40 | 111.2° | 113.1° |
| C12 | N11 | S8 | 114.7° | 120.0° |
| C12 | N11 | C16 | 120.5° | 120.0° |
| N11 | C12 | H10 | 108.4° | 109.5° |
| N11 | C12 | H11 | 108.4° | 109.5° |
| O23 | C21 | N20 | 114.1° | 120.0° |
| C41 | C25 | H31 | 107.8° | 109.6° |
| C41 | C25 | H32 | 107.8° | 109.7° |
| C25 | C41 | H40 | 110.2° | 112.5° |
| C21 | N20 | C19 | 125.6° | 120.0° |
| C21 | N20 | H24 | 117.2° | 120.0° |
| O10 | S8 | N11 | 104.6° | 106.4° |
| O10 | S8 | C5 | 108.4° | 106.4° |
| O10 | S8 | O9 | 117.0° | 123.1° |
| C56 | C57 | C55 | 60.3° | 60.0° |
| C57 | C56 | C55 | 60.2° | 60.0° |
| C57 | C56 | H3 | 120.0° | 117.5° |
| C57 | C56 | H4 | 120.0° | 117.5° |
| C56 | C57 | H5 | 119.9° | 117.5° |
| C56 | C57 | H6 | 120.0° | 117.5° |
| C57 | C55 | C56 | 59.6° | 60.0° |
| C57 | C55 | N54 | 113.1° | 117.5° |
| C57 | C55 | H2 | 118.0° | 117.5° |
| C55 | C57 | H5 | 120.0° | 117.6° |
| C55 | C57 | H6 | 120.0° | 117.5° |
| S8 | N11 | C16 | 115.0° | 120.0° |
| N11 | S8 | C5 | 108.9° | 107.2° |
| N11 | S8 | O9 | 107.5° | 106.4° |
| N11 | C16 | C17 | 110.2° | 109.5° |
| N11 | C16 | H19 | 109.3° | 109.5° |
| N11 | C16 | H20 | 109.3° | 109.4° |
| N20 | C19 | C17 | 105.8° | 109.4° |
| N20 | C19 | C32 | 111.3° | 109.4° |
| N20 | C19 | H23 | 109.8° | 109.5° |
| C19 | N20 | H24 | 117.2° | 120.0° |
| C3 | S51 | C53 | 91.8° | 90.4° |
| S51 | C3 | C4 | 128.9° | 131.2° |
| S51 | C3 | C2 | 106.9° | 108.4° |
| S51 | C53 | N54 | 124.7° | 124.8° |
| S51 | C53 | N52 | 110.0° | 110.4° |
| C3 | C4 | C5 | 117.6° | 120.2° |
| C4 | C3 | C2 | 124.0° | 120.4° |
| C3 | C4 | H7 | 121.2° | 119.9° |
| C4 | C5 | S8 | 119.1° | 120.0° |
| C4 | C5 | C6 | 120.4° | 120.0° |
| C5 | C4 | H7 | 121.2° | 119.9° |
| C19 | C17 | C16 | 112.8° | 109.4° |
| C19 | C17 | O18 | 114.7° | 109.5° |
| C17 | C19 | C32 | 112.1° | 109.5° |
| C19 | C17 | H21 | 106.4° | 109.5° |
| C17 | C19 | H23 | 109.0° | 109.5° |
| C16 | C17 | O18 | 108.4° | 109.5° |
| C17 | C16 | H19 | 109.3° | 109.5° |
| C17 | C16 | H20 | 109.3° | 109.5° |
| C16 | C17 | H21 | 106.5° | 109.5° |
| O18 | C17 | H21 | 107.7° | 109.5° |
| C17 | O18 | H22 | 109.5° | 114.0° |
| C5 | S8 | O9 | 110.2° | 106.4° |
| S8 | C5 | C6 | 120.4° | 120.0° |
| C56 | C55 | N54 | 114.9° | 117.5° |
| C56 | C55 | H2 | 117.9° | 117.5° |
| C55 | C56 | H3 | 120.0° | 117.5° |
| C55 | C56 | H4 | 120.0° | 117.5° |
| C19 | C32 | C38 | 106.9° | 109.5° |
| C32 | C19 | H23 | 108.9° | 109.5° |
| C19 | C32 | H25 | 110.1° | 109.5° |
| C19 | C32 | H26 | 110.1° | 109.5° |
| C55 | N54 | C53 | 124.7° | 120.0° |
| C55 | N54 | H1 | 105.5° | 120.1° |
| N54 | C55 | H2 | 119.4° | 115.6° |
| C3 | C2 | N52 | 117.3° | 112.8° |
| C3 | C2 | C7 | 119.1° | 118.4° |
| C5 | C6 | C7 | 118.2° | 120.6° |
| C5 | C6 | H8 | 120.9° | 119.7° |
| N54 | C53 | N52 | 125.3° | 124.8° |
| C53 | N54 | H1 | 105.6° | 120.0° |
| C53 | N52 | C2 | 113.8° | 117.9° |
| F62 | C36 | C37 | 118.3° | 120.0° |
| F62 | C36 | C35 | 119.3° | 120.0° |
| C36 | C37 | C38 | 118.9° | 120.0° |
| C37 | C36 | C35 | 122.5° | 120.0° |
| C36 | C37 | H29 | 120.5° | 120.0° |
| C37 | C38 | C32 | 116.9° | 119.9° |
| C37 | C38 | C33 | 119.9° | 120.1° |
| C38 | C37 | H29 | 120.6° | 120.0° |
| C36 | C35 | C34 | 118.1° | 119.9° |
| C36 | C35 | H28 | 121.0° | 120.1° |
| N52 | C2 | C7 | 123.7° | 128.8° |
| C2 | C7 | C6 | 120.4° | 120.5° |
| C2 | C7 | H9 | 119.8° | 119.7° |
| C32 | C38 | C33 | 123.3° | 120.0° |
| C38 | C32 | H25 | 110.1° | 109.5° |
| C38 | C32 | H26 | 110.1° | 109.4° |
| C38 | C33 | C34 | 119.6° | 120.0° |
| C38 | C33 | H27 | 120.2° | 120.0° |
| C35 | C34 | C33 | 120.8° | 120.0° |
| C35 | C34 | F61 | 118.1° | 120.0° |
| C34 | C35 | H28 | 121.0° | 120.0° |
| C7 | C6 | H8 | 120.9° | 119.8° |
| C6 | C7 | H9 | 119.8° | 119.8° |
| C33 | C34 | F61 | 121.1° | 120.0° |
| C34 | C33 | H27 | 120.2° | 120.0° |
| H3 | C56 | H4 | 109.5° | 115.6° |
| H5 | C57 | H6 | 109.5° | 115.5° |
| H10 | C12 | H11 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| H13 | C14 | H15 | 109.4° | 109.5° |
| H14 | C14 | H15 | 109.5° | 109.5° |
| H16 | C15 | H17 | 109.5° | 109.4° |
| H16 | C15 | H18 | 109.5° | 109.5° |
| H17 | C15 | H18 | 109.5° | 109.5° |
| H19 | C16 | H20 | 109.4° | 109.5° |
| H25 | C32 | H26 | 109.5° | 109.5° |
| H31 | C25 | H32 | 109.5° | 109.7° |
| H33 | C26 | H34 | 109.5° | 111.2° |
| H37 | C30 | H38 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C13 | C14 | C12 | 122.0° | 120.0° |
| C15 | C13 | C14 | H12 | 119.4° | 119.9° |
| C15 | C13 | C12 | H12 | 118.2° | 120.0° |
| C15 | C13 | C12 | N11 | 173.1° | 63.3° |
| C15 | C13 | C12 | H10 | 52.4° | 176.7° |
| C15 | C13 | C12 | H11 | 66.3° | 56.7° |
| C15 | C13 | C14 | H13 | 180.0° | 60.1° |
| C15 | C13 | C14 | H14 | 60.0° | 60.0° |
| C15 | C13 | C14 | H15 | 60.0° | 180.0° |
| C13 | C15 | H16 | H17 | 120.0° | 119.9° |
| C13 | C15 | H16 | H18 | 120.0° | 120.0° |
| C13 | C15 | H17 | H18 | 120.0° | 120.0° |
| C31 | C27 | C28 | C26 | 117.3° | 115.0° |
| C31 | C27 | C28 | H35 | 122.7° | 121.2° |
| C31 | C27 | C26 | H35 | 127.7° | 130.0° |
| C27 | C31 | C30 | C24 | 124.2° | 114.5° |
| C27 | C31 | C30 | H39 | 114.8° | 121.3° |
| C27 | C31 | C30 | O29 | 28.8° | 47.4° |
| C27 | C31 | C24 | H39 | 123.0° | 132.0° |
| C31 | C27 | C28 | O29 | 21.0° | 31.2° |
| C31 | C27 | C28 | O42 | 89.7° | 87.2° |
| C31 | C27 | C26 | C41 | 67.7° | 68.5° |
| C27 | C31 | C24 | O23 | 147.1° | 84.1° |
| C27 | C31 | C24 | C25 | 33.3° | 37.2° |
| C27 | C31 | C24 | H30 | 89.7° | 158.5° |
| C31 | C27 | C26 | H33 | 50.3° | 49.1° |
| C31 | C27 | C26 | H34 | 174.3° | 173.8° |
| C31 | C27 | C28 | H36 | 145.0° | 151.8° |
| C27 | C31 | C30 | H37 | 90.4° | 165.5° |
| C27 | C31 | C30 | H38 | 148.0° | 70.8° |
| C28 | C27 | C26 | H35 | 120.0° | 123.8° |
| C28 | C27 | C31 | C30 | 30.5° | 46.3° |
| C27 | C28 | O29 | C30 | 2.2° | 0.8° |
| C28 | C27 | C31 | C24 | 91.6° | 59.6° |
| C27 | C28 | O29 | O42 | 111.8° | 114.1° |
| C27 | C28 | O29 | H36 | 122.9° | 120.6° |
| C27 | C28 | O42 | H36 | 124.3° | 120.6° |
| C28 | C27 | C26 | C41 | 44.6° | 37.6° |
| C27 | C28 | O42 | C41 | 2.6° | 5.1° |
| C28 | C27 | C26 | H33 | 162.6° | 155.3° |
| C28 | C27 | C26 | H34 | 73.4° | 80.0° |
| C28 | C27 | C31 | H39 | 145.4° | 168.5° |
| C26 | C27 | C31 | C30 | 139.9° | 154.5° |
| C26 | C27 | C31 | C24 | 17.8° | 48.6° |
| C26 | C27 | C28 | O29 | 138.3° | 146.2° |
| C26 | C27 | C28 | O42 | 27.6° | 27.8° |
| C27 | C26 | C41 | H33 | 118.0° | 117.7° |
| C27 | C26 | C41 | H34 | 118.0° | 117.7° |
| C27 | C26 | C41 | O42 | 47.4° | 35.6° |
| C27 | C26 | C41 | C25 | 71.6° | 78.6° |
| C27 | C26 | H33 | H34 | 125.5° | 124.8° |
| C26 | C27 | C28 | H36 | 97.7° | 93.3° |
| C26 | C27 | C31 | H39 | 105.2° | 83.3° |
| C27 | C26 | C41 | H40 | 165.6° | 159.5° |
| C14 | C13 | C12 | H12 | 118.5° | 120.0° |
| C14 | C13 | C12 | N11 | 63.7° | 176.7° |
| C14 | C13 | C12 | H10 | 175.7° | 56.6° |
| C14 | C13 | C12 | H11 | 56.9° | 63.3° |
| C13 | C14 | H13 | H14 | 120.0° | 120.1° |
| C13 | C14 | H13 | H15 | 120.0° | 119.9° |
| C13 | C14 | H14 | H15 | 120.0° | 120.0° |
| C14 | C13 | C15 | H16 | 180.0° | 52.2° |
| C14 | C13 | C15 | H17 | 60.0° | 67.7° |
| C14 | C13 | C15 | H18 | 60.0° | 172.3° |
| C31 | C30 | O29 | H37 | 119.2° | 118.1° |
| C31 | C30 | O29 | H38 | 119.2° | 118.2° |
| C30 | C31 | C24 | H39 | 121.0° | 125.3° |
| C31 | C30 | O29 | C28 | 17.5° | 29.7° |
| C30 | C31 | C24 | O23 | 31.1° | 18.6° |
| C30 | C31 | C24 | C25 | 82.8° | 140.0° |
| C30 | C31 | C24 | H30 | 154.3° | 98.8° |
| C30 | C31 | C27 | H35 | 92.3° | 75.2° |
| C31 | C30 | H37 | H38 | 122.2° | 123.6° |
| O29 | C30 | C31 | C24 | 95.4° | 67.1° |
| C30 | O29 | C28 | O42 | 109.6° | 113.3° |
| C30 | O29 | C28 | H36 | 125.1° | 121.4° |
| O29 | C30 | H37 | H38 | 122.2° | 123.7° |
| O29 | C30 | C31 | H39 | 143.6° | 168.6° |
| C31 | C24 | O23 | C25 | 118.6° | 125.1° |
| C31 | C24 | O23 | H30 | 122.5° | 117.4° |
| C31 | C24 | C25 | H30 | 122.9° | 121.2° |
| C31 | C24 | O23 | C21 | 122.8° | 144.9° |
| C31 | C24 | C25 | C41 | 30.1° | 49.0° |
| C31 | C24 | C25 | H31 | 90.8° | 168.7° |
| C31 | C24 | C25 | H32 | 151.1° | 70.9° |
| C24 | C31 | C27 | H35 | 145.6° | 178.9° |
| C24 | C31 | C30 | H37 | 145.4° | 51.1° |
| C24 | C31 | C30 | H38 | 23.8° | 174.7° |
| O29 | C28 | O42 | H36 | 125.3° | 124.9° |
| O29 | C28 | O42 | C41 | 107.7° | 119.6° |
| O29 | C28 | C27 | H35 | 101.7° | 89.9° |
| C28 | O29 | C30 | H37 | 101.7° | 147.8° |
| C28 | O29 | C30 | H38 | 136.7° | 88.5° |
| C28 | O42 | C41 | C26 | 31.8° | 19.6° |
| C28 | O42 | C41 | C25 | 87.8° | 91.0° |
| O42 | C28 | C27 | H35 | 147.6° | 151.7° |
| C28 | O42 | C41 | H40 | 149.1° | 143.3° |
| C26 | C41 | C25 | C24 | 24.0° | 70.7° |
| C26 | C41 | O42 | C25 | 119.6° | 110.6° |
| C26 | C41 | O42 | H40 | 117.3° | 123.7° |
| C26 | C41 | C25 | H40 | 122.6° | 122.0° |
| C26 | C41 | C25 | H31 | 145.0° | 169.6° |
| C26 | C41 | C25 | H32 | 96.9° | 49.1° |
| C41 | C26 | H33 | H34 | 125.5° | 124.7° |
| C41 | C26 | C27 | H35 | 164.6° | 161.5° |
| C13 | C12 | N11 | H10 | 120.6° | 120.0° |
| C13 | C12 | N11 | H11 | 120.6° | 120.0° |
| C13 | C12 | N11 | S8 | 142.7° | 114.3° |
| C13 | C12 | N11 | C16 | 73.1° | 65.8° |
| C13 | C12 | H10 | H11 | 118.1° | 119.9° |
| C12 | C13 | C14 | H13 | 58.1° | 60.0° |
| C12 | C13 | C14 | H14 | 62.0° | 180.0° |
| C12 | C13 | C14 | H15 | 178.0° | 60.0° |
| C12 | C13 | C15 | H16 | 57.7° | 172.3° |
| C12 | C13 | C15 | H17 | 177.7° | 52.3° |
| C12 | C13 | C15 | H18 | 62.3° | 67.7° |
| O23 | C24 | C25 | H30 | 119.6° | 117.4° |
| C24 | O23 | C21 | O22 | 25.0° | 0.0° |
| O23 | C24 | C25 | C41 | 147.6° | 72.4° |
| C24 | O23 | C21 | N20 | 159.6° | 180.0° |
| O23 | C24 | C25 | H31 | 26.6° | 47.4° |
| O23 | C24 | C25 | H32 | 91.5° | 167.7° |
| O23 | C24 | C31 | H39 | 89.9° | 143.9° |
| C24 | C25 | C41 | O42 | 89.8° | 41.2° |
| C25 | C24 | O23 | C21 | 118.6° | 90.0° |
| C24 | C25 | C41 | H31 | 121.0° | 119.7° |
| C24 | C25 | C41 | H32 | 120.9° | 119.8° |
| C24 | C25 | H31 | H32 | 117.0° | 120.3° |
| C25 | C24 | C31 | H39 | 156.2° | 94.8° |
| C24 | C25 | C41 | H40 | 146.6° | 167.3° |
| O22 | C21 | O23 | N20 | 175.4° | 179.9° |
| O22 | C21 | N20 | C19 | 19.7° | 0.0° |
| O22 | C21 | N20 | H24 | 160.4° | 180.0° |
| O42 | C41 | C25 | H40 | 123.6° | 126.1° |
| O42 | C41 | C25 | H31 | 31.1° | 78.6° |
| O42 | C41 | C25 | H32 | 149.2° | 161.0° |
| O42 | C41 | C26 | H33 | 165.4° | 153.3° |
| O42 | C41 | C26 | H34 | 70.6° | 82.1° |
| C41 | O42 | C28 | H36 | 127.0° | 115.5° |
| C12 | N11 | S8 | O10 | 54.8° | 17.6° |
| C12 | N11 | S8 | C16 | 146.2° | 179.9° |
| C12 | N11 | C16 | C17 | 100.4° | 85.0° |
| C12 | N11 | S8 | C5 | 60.8° | 96.0° |
| C12 | N11 | S8 | O9 | 179.8° | 150.5° |
| N11 | C12 | H10 | H11 | 118.1° | 120.0° |
| N11 | C12 | C13 | H12 | 54.9° | 56.6° |
| C12 | N11 | C16 | H19 | 19.7° | 35.1° |
| C12 | N11 | C16 | H20 | 139.4° | 155.0° |
| O23 | C21 | N20 | C19 | 165.2° | 179.9° |
| O23 | C21 | N20 | H24 | 14.7° | 0.0° |
| C21 | O23 | C24 | H30 | 0.2° | 27.5° |
| C41 | C25 | C24 | H30 | 92.8° | 170.2° |
| C41 | C25 | H31 | H32 | 117.0° | 120.5° |
| C25 | C41 | C26 | H33 | 46.4° | 39.1° |
| C25 | C41 | C26 | H34 | 170.4° | 163.7° |
| C21 | N20 | C19 | H24 | 180.0° | 180.0° |
| C21 | N20 | C19 | C17 | 129.7° | 155.0° |
| C21 | N20 | C19 | C32 | 108.4° | 85.0° |
| C21 | N20 | C19 | H23 | 12.2° | 35.0° |
| O10 | S8 | N11 | C5 | 115.7° | 113.5° |
| O10 | S8 | N11 | O9 | 125.0° | 132.9° |
| O10 | S8 | N11 | C16 | 158.9° | 162.4° |
| O10 | S8 | C5 | C4 | 23.6° | 17.0° |
| O10 | S8 | C5 | O9 | 129.2° | 132.9° |
| O10 | S8 | C5 | C6 | 160.0° | 163.0° |
| C56 | C57 | C55 | H5 | 109.5° | 107.5° |
| C56 | C57 | C55 | H6 | 109.5° | 107.4° |
| C57 | C56 | C55 | H3 | 109.6° | 107.5° |
| C57 | C56 | C55 | H4 | 109.5° | 107.5° |
| C56 | C57 | C55 | N54 | 106.3° | 107.5° |
| C56 | C57 | C55 | H2 | 107.7° | 107.5° |
| C57 | C56 | H3 | H4 | 144.6° | 145.7° |
| C56 | C57 | H5 | H6 | 144.6° | 145.6° |
| C57 | C55 | N54 | H2 | 145.6° | 145.7° |
| C57 | C55 | N54 | C53 | 72.4° | 136.0° |
| C57 | C55 | N54 | H1 | 49.7° | 43.7° |
| C55 | C57 | H5 | H6 | 144.6° | 145.8° |
| N11 | S8 | C5 | C4 | 89.6° | 96.6° |
| S8 | N11 | C16 | C17 | 115.5° | 95.0° |
| N11 | S8 | C5 | O9 | 117.6° | 113.6° |
| N11 | S8 | C5 | C6 | 86.8° | 83.4° |
| S8 | N11 | C12 | H10 | 96.7° | 125.8° |
| S8 | N11 | C12 | H11 | 22.1° | 5.7° |
| S8 | N11 | C16 | H19 | 124.4° | 145.0° |
| S8 | N11 | C16 | H20 | 4.7° | 25.0° |
| N11 | C16 | C17 | C19 | 70.9° | 175.0° |
| N11 | C16 | C17 | H19 | 120.1° | 120.0° |
| N11 | C16 | C17 | H20 | 120.1° | 119.9° |
| N11 | C16 | C17 | O18 | 161.1° | 65.0° |
| C16 | N11 | S8 | C5 | 85.4° | 84.1° |
| C16 | N11 | S8 | O9 | 33.9° | 29.5° |
| C16 | N11 | C12 | H10 | 47.6° | 54.2° |
| C16 | N11 | C12 | H11 | 166.4° | 174.2° |
| N11 | C16 | H19 | H20 | 119.7° | 119.9° |
| N11 | C16 | C17 | H21 | 45.4° | 55.0° |
| N20 | C19 | C17 | C32 | 121.4° | 120.0° |
| N20 | C19 | C17 | H23 | 118.0° | 120.0° |
| N20 | C19 | C17 | C16 | 167.2° | 175.0° |
| N20 | C19 | C17 | O18 | 68.1° | 65.0° |
| N20 | C19 | C32 | H23 | 121.1° | 120.0° |
| N20 | C19 | C32 | C38 | 55.8° | 65.0° |
| N20 | C19 | C17 | H21 | 50.8° | 55.1° |
| N20 | C19 | C32 | H25 | 63.8° | 55.0° |
| N20 | C19 | C32 | H26 | 175.3° | 175.0° |
| S51 | C3 | C4 | C2 | 175.8° | 180.0° |
| S51 | C3 | C4 | C5 | 179.7° | 180.0° |
| C3 | S51 | C53 | N54 | 178.7° | 180.0° |
| C3 | S51 | C53 | N52 | 0.5° | 0.0° |
| S51 | C3 | C2 | N52 | 3.8° | 0.0° |
| S51 | C3 | C2 | C7 | 176.3° | 180.0° |
| S51 | C3 | C4 | H7 | 0.3° | 0.0° |
| C53 | S51 | C3 | C4 | 178.7° | 180.0° |
| S51 | C53 | N54 | C55 | 4.7° | 179.7° |
| C53 | S51 | C3 | C2 | 2.3° | 0.0° |
| S51 | C53 | N54 | N52 | 177.9° | 180.0° |
| S51 | C53 | N52 | C2 | 1.5° | 0.0° |
| S51 | C53 | N54 | H1 | 117.3° | 0.0° |
| C3 | C4 | C5 | H7 | 180.0° | 180.0° |
| C3 | C4 | C5 | S8 | 173.3° | 180.0° |
| C3 | C4 | C5 | C6 | 3.2° | 0.0° |
| C4 | C3 | C2 | N52 | 179.6° | 179.9° |
| C4 | C3 | C2 | C7 | 0.3° | 0.0° |
| C4 | C5 | S8 | C6 | 176.5° | 180.0° |
| C4 | C5 | S8 | O9 | 152.7° | 149.9° |
| C5 | C4 | C3 | C2 | 3.9° | 0.0° |
| C4 | C5 | C6 | C7 | 1.4° | 0.0° |
| C4 | C5 | C6 | H8 | 178.6° | 180.0° |
| C19 | C17 | C16 | O18 | 128.1° | 120.0° |
| C19 | C17 | C16 | H21 | 116.3° | 120.0° |
| C19 | C17 | O18 | H21 | 118.2° | 120.1° |
| C17 | C19 | C32 | H23 | 120.7° | 120.1° |
| C17 | C19 | C32 | C38 | 174.0° | 175.0° |
| C19 | C17 | C16 | H19 | 169.0° | 65.0° |
| C19 | C17 | C16 | H20 | 49.2° | 55.1° |
| C19 | C17 | O18 | H22 | 180.0° | 60.0° |
| C17 | C19 | N20 | H24 | 50.4° | 25.0° |
| C17 | C19 | C32 | H25 | 54.4° | 65.0° |
| C17 | C19 | C32 | H26 | 66.5° | 55.1° |
| C16 | C17 | O18 | H21 | 114.9° | 120.0° |
| C16 | C17 | C19 | C32 | 71.4° | 65.0° |
| C17 | C16 | H19 | H20 | 119.7° | 120.0° |
| C16 | C17 | O18 | H22 | 53.0° | 60.0° |
| C16 | C17 | C19 | H23 | 49.2° | 55.1° |
| O18 | C17 | C19 | C32 | 53.4° | 55.0° |
| O18 | C17 | C16 | H19 | 40.9° | 55.0° |
| O18 | C17 | C16 | H20 | 78.8° | 175.1° |
| O18 | C17 | C19 | H23 | 174.0° | 175.0° |
| S8 | C5 | C6 | C7 | 177.8° | 180.0° |
| S8 | C5 | C4 | H7 | 6.7° | 0.0° |
| S8 | C5 | C6 | H8 | 2.2° | 0.0° |
| O9 | S8 | C5 | C6 | 30.8° | 30.1° |
| C56 | C55 | N54 | H2 | 148.6° | 145.7° |
| C56 | C55 | N54 | C53 | 138.2° | 155.4° |
| C56 | C55 | N54 | H1 | 16.1° | 25.0° |
| C55 | C56 | H3 | H4 | 144.6° | 145.7° |
| C19 | C32 | C38 | C37 | 78.4° | 90.0° |
| C19 | C32 | C38 | H25 | 119.6° | 120.0° |
| C19 | C32 | C38 | H26 | 119.6° | 120.0° |
| C19 | C32 | C38 | C33 | 102.9° | 90.5° |
| C32 | C19 | C17 | H21 | 172.3° | 175.0° |
| C32 | C19 | N20 | H24 | 71.6° | 95.0° |
| C19 | C32 | H25 | H26 | 121.2° | 120.0° |
| C55 | N54 | C53 | H1 | 122.0° | 179.7° |
| C55 | N54 | C53 | N52 | 173.2° | 0.3° |
| N54 | C55 | C56 | H3 | 6.4° | 145.0° |
| N54 | C55 | C56 | H4 | 147.3° | 0.0° |
| N54 | C55 | C57 | H5 | 144.2° | 0.0° |
| N54 | C55 | C57 | H6 | 3.3° | 145.1° |
| C3 | C2 | N52 | C53 | 3.6° | 0.0° |
| C3 | C2 | N52 | C7 | 179.9° | 179.9° |
| C3 | C2 | C7 | C6 | 5.1° | 0.0° |
| C2 | C3 | C4 | H7 | 176.1° | 180.0° |
| C3 | C2 | C7 | H9 | 174.9° | 180.0° |
| C5 | C6 | C7 | C2 | 5.6° | 0.0° |
| C5 | C6 | C7 | H8 | 180.0° | 179.9° |
| C6 | C5 | C4 | H7 | 176.8° | 180.0° |
| C5 | C6 | C7 | H9 | 174.4° | 180.0° |
| N54 | C53 | N52 | C2 | 176.7° | 180.0° |
| C53 | N54 | C55 | H2 | 73.2° | 9.7° |
| C53 | N52 | C2 | C7 | 176.5° | 180.0° |
| N52 | C53 | N54 | H1 | 64.8° | 180.0° |
| F62 | C36 | C37 | C35 | 179.9° | 180.0° |
| F62 | C36 | C37 | C38 | 177.7° | 179.8° |
| F62 | C36 | C35 | C34 | 175.5° | 179.9° |
| F62 | C36 | C35 | H28 | 4.5° | 0.1° |
| F62 | C36 | C37 | H29 | 2.3° | 0.0° |
| C36 | C37 | C38 | H29 | 180.0° | 179.8° |
| C36 | C37 | C38 | C32 | 178.4° | 180.0° |
| C36 | C37 | C38 | C33 | 2.9° | 0.5° |
| C37 | C36 | C35 | C34 | 4.7° | 0.0° |
| C37 | C36 | C35 | H28 | 175.4° | 180.0° |
| C38 | C37 | C36 | C35 | 2.4° | 0.3° |
| C37 | C38 | C32 | C33 | 178.6° | 179.5° |
| C37 | C38 | C33 | C34 | 6.0° | 0.5° |
| C37 | C38 | C32 | H25 | 162.0° | 30.0° |
| C37 | C38 | C32 | H26 | 41.2° | 150.0° |
| C37 | C38 | C33 | H27 | 174.1° | 179.7° |
| C36 | C35 | C34 | H28 | 180.0° | 180.0° |
| C36 | C35 | C34 | C33 | 1.5° | 0.1° |
| C36 | C35 | C34 | F61 | 178.0° | 180.0° |
| C35 | C36 | C37 | H29 | 177.6° | 179.9° |
| N52 | C2 | C7 | C6 | 174.7° | 179.9° |
| N52 | C2 | C7 | H9 | 5.3° | 0.1° |
| C2 | C7 | C6 | H9 | 180.0° | 180.0° |
| C2 | C7 | C6 | H8 | 174.4° | 179.9° |
| C32 | C38 | C33 | C34 | 175.4° | 180.0° |
| C38 | C32 | C19 | H23 | 65.4° | 55.0° |
| C38 | C32 | H25 | H26 | 121.2° | 120.0° |
| C32 | C38 | C33 | H27 | 4.6° | 0.2° |
| C32 | C38 | C37 | H29 | 1.6° | 0.2° |
| C38 | C33 | C34 | C35 | 3.7° | 0.2° |
| C38 | C33 | C34 | H27 | 180.0° | 179.8° |
| C38 | C33 | C34 | F61 | 176.8° | 179.7° |
| C33 | C38 | C32 | H25 | 16.7° | 149.5° |
| C33 | C38 | C32 | H26 | 137.5° | 29.5° |
| C33 | C38 | C37 | H29 | 177.0° | 179.7° |
| C35 | C34 | C33 | F61 | 179.5° | 179.9° |
| C35 | C34 | C33 | H27 | 176.3° | 180.0° |
| C33 | C34 | C35 | H28 | 178.5° | 180.0° |
| F61 | C34 | C33 | H27 | 3.2° | 0.1° |
| F61 | C34 | C35 | H28 | 2.0° | 0.0° |
| H1 | N54 | C55 | H2 | 164.8° | 170.6° |
| H2 | C55 | C56 | H3 | 142.7° | 0.1° |
| H2 | C55 | C56 | H4 | 1.8° | 145.0° |
| H2 | C55 | C57 | H5 | 1.9° | 145.0° |
| H2 | C55 | C57 | H6 | 142.8° | 0.1° |
| H3 | C56 | C57 | H5 | 140.9° | 145.0° |
| H3 | C56 | C57 | H6 | 0.1° | 0.0° |
| H4 | C56 | C57 | H5 | 0.0° | 0.1° |
| H4 | C56 | C57 | H6 | 140.9° | 145.0° |
| H8 | C6 | C7 | H9 | 5.6° | 0.1° |
| H10 | C12 | C13 | H12 | 65.8° | 63.4° |
| H11 | C12 | C13 | H12 | 175.5° | 176.6° |
| H12 | C13 | C14 | H13 | 60.5° | 180.0° |
| H12 | C13 | C14 | H14 | 179.4° | 59.9° |
| H12 | C13 | C14 | H15 | 59.4° | 60.0° |
| H12 | C13 | C15 | H16 | 60.6° | 67.7° |
| H12 | C13 | C15 | H17 | 59.4° | 172.3° |
| H12 | C13 | C15 | H18 | 179.5° | 52.3° |
| H13 | C14 | H14 | H15 | 119.9° | 120.0° |
| H16 | C15 | H17 | H18 | 120.0° | 120.0° |
| H19 | C16 | C17 | H21 | 74.7° | 175.0° |
| H20 | C16 | C17 | H21 | 165.5° | 65.0° |
| H21 | C17 | O18 | H22 | 61.8° | 180.0° |
| H21 | C17 | C19 | H23 | 67.1° | 64.9° |
| H23 | C19 | N20 | H24 | 167.8° | 145.0° |
| H23 | C19 | C32 | H25 | 175.0° | 175.0° |
| H23 | C19 | C32 | H26 | 54.2° | 65.0° |
| H30 | C24 | C25 | H31 | 146.2° | 70.1° |
| H30 | C24 | C25 | H32 | 28.1° | 50.3° |
| H30 | C24 | C31 | H39 | 33.3° | 26.5° |
| H31 | C25 | C41 | H40 | 92.5° | 47.6° |
| H32 | C25 | C41 | H40 | 25.7° | 72.9° |
| H33 | C26 | C27 | H35 | 77.4° | 80.9° |
| H33 | C26 | C41 | H40 | 76.4° | 82.8° |
| H34 | C26 | C27 | H35 | 46.6° | 43.8° |
| H34 | C26 | C41 | H40 | 47.6° | 41.8° |
| H35 | C27 | C28 | H36 | 22.3° | 30.6° |
| H35 | C27 | C31 | H39 | 22.6° | 47.0° |
| H37 | C30 | C31 | H39 | 24.4° | 73.2° |
| H38 | C30 | C31 | H39 | 97.2° | 50.5° |
