6KQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C56 | C57 | sing | 1.53Å | 1.53Å | |
| C56 | C55 | sing | 1.53Å | 1.53Å | |
| C57 | C60 | sing | 1.53Å | 1.53Å | |
| C57 | C58 | sing | 1.53Å | 1.53Å | |
| C60 | C53 | sing | 1.53Å | 1.54Å | |
| C58 | C51 | sing | 1.53Å | 1.54Å | |
| C55 | C54 | sing | 1.53Å | 1.53Å | |
| C55 | C59 | sing | 1.53Å | 1.53Å | |
| C54 | C53 | sing | 1.53Å | 1.54Å | |
| C53 | C52 | sing | 1.53Å | 1.53Å | |
| C59 | C51 | sing | 1.53Å | 1.52Å | |
| C51 | C52 | sing | 1.53Å | 1.52Å | |
| C51 | C32 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| O39 | C2 | sing | 1.36Å | 1.36Å | |
| O39 | C40 | sing | 1.43Å | 1.42Å | |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| O9 | S8 | doub | 1.42Å | 1.50Å | |
| C7 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C19 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | S8 | sing | 1.76Å | 1.76Å | |
| S8 | O10 | doub | 1.42Å | 1.50Å | |
| S8 | N11 | sing | 1.66Å | 1.64Å | |
| C19 | N20 | sing | 1.46Å | 1.46Å | |
| C19 | C17 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.55Å | 1.54Å | |
| C30 | C31 | sing | 1.55Å | 1.53Å | |
| C16 | N11 | sing | 1.47Å | 1.45Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C29 | O28 | sing | 1.44Å | 1.42Å | |
| N11 | C42 | sing | 1.46Å | 1.44Å | |
| N20 | C21 | sing | 1.35Å | 1.34Å | |
| C17 | O18 | sing | 1.43Å | 1.43Å | |
| O22 | C21 | doub | 1.22Å | 1.22Å | |
| C21 | O23 | sing | 1.35Å | 1.35Å | |
| C31 | C24 | sing | 1.55Å | 1.54Å | |
| C31 | C27 | sing | 1.55Å | 1.52Å | |
| O28 | C27 | sing | 1.43Å | 1.43Å | |
| C42 | C48 | sing | 1.51Å | 1.53Å | |
| O23 | C24 | sing | 1.45Å | 1.43Å | |
| C24 | C25 | sing | 1.55Å | 1.54Å | |
| C27 | O26 | sing | 1.43Å | 1.43Å | |
| C48 | C47 | doub | 1.38Å | 1.39Å | Aromatic |
| C48 | C43 | sing | 1.38Å | 1.39Å | Aromatic |
| C47 | C46 | sing | 1.38Å | 1.39Å | Aromatic |
| C43 | C44 | doub | 1.38Å | 1.39Å | Aromatic |
| O26 | C25 | sing | 1.44Å | 1.44Å | |
| C46 | C45 | doub | 1.38Å | 1.39Å | Aromatic |
| C44 | C45 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| O18 | H7 | sing | 0.97Å | 0.95Å | |
| C29 | H8 | sing | 1.09Å | 1.10Å | |
| C29 | H9 | sing | 1.09Å | 1.10Å | |
| C30 | H10 | sing | 1.09Å | 1.10Å | |
| C30 | H11 | sing | 1.09Å | 1.10Å | |
| C31 | H12 | sing | 1.09Å | 1.10Å | |
| C32 | H13 | sing | 1.09Å | 1.10Å | |
| C32 | H14 | sing | 1.09Å | 1.10Å | |
| C40 | H15 | sing | 1.09Å | 1.10Å | |
| C40 | H16 | sing | 1.09Å | 1.10Å | |
| C40 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.08Å | 1.08Å | |
| C42 | H19 | sing | 1.09Å | 1.10Å | |
| C42 | H20 | sing | 1.09Å | 1.10Å | |
| C43 | H21 | sing | 1.08Å | 1.08Å | |
| C44 | H22 | sing | 1.08Å | 1.08Å | |
| C45 | H23 | sing | 1.08Å | 1.08Å | |
| C46 | H24 | sing | 1.08Å | 1.08Å | |
| C47 | H25 | sing | 1.08Å | 1.08Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| N20 | H27 | sing | 0.97Å | 1.00Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C52 | H32 | sing | 1.09Å | 1.10Å | |
| C52 | H33 | sing | 1.09Å | 1.10Å | |
| C53 | H34 | sing | 1.09Å | 1.10Å | |
| C54 | H35 | sing | 1.09Å | 1.10Å | |
| C54 | H36 | sing | 1.09Å | 1.10Å | |
| C55 | H37 | sing | 1.09Å | 1.10Å | |
| C56 | H38 | sing | 1.09Å | 1.10Å | |
| C56 | H39 | sing | 1.09Å | 1.10Å | |
| C57 | H40 | sing | 1.09Å | 1.10Å | |
| C58 | H41 | sing | 1.09Å | 1.10Å | |
| C58 | H42 | sing | 1.09Å | 1.10Å | |
| C59 | H43 | sing | 1.09Å | 1.10Å | |
| C59 | H44 | sing | 1.09Å | 1.10Å | |
| C60 | H45 | sing | 1.09Å | 1.10Å | |
| C60 | H46 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C57 | C56 | C55 | 109.2° | 109.5° |
| C56 | C57 | C60 | 111.7° | 109.5° |
| C56 | C57 | C58 | 109.3° | 109.4° |
| C57 | C56 | H38 | 109.5° | 109.5° |
| C57 | C56 | H39 | 109.5° | 109.4° |
| C56 | C57 | H40 | 109.0° | 109.4° |
| C56 | C55 | C54 | 109.0° | 109.4° |
| C56 | C55 | C59 | 109.2° | 109.4° |
| C56 | C55 | H37 | 109.9° | 109.5° |
| C55 | C56 | H38 | 109.6° | 109.5° |
| C55 | C56 | H39 | 109.6° | 109.4° |
| C60 | C57 | C58 | 108.7° | 109.4° |
| C57 | C60 | C53 | 108.8° | 109.5° |
| C60 | C57 | H40 | 109.0° | 109.5° |
| C57 | C60 | H45 | 109.6° | 109.5° |
| C57 | C60 | H46 | 109.6° | 109.5° |
| C57 | C58 | C51 | 108.8° | 109.5° |
| C58 | C57 | H40 | 109.0° | 109.5° |
| C57 | C58 | H41 | 109.7° | 109.4° |
| C57 | C58 | H42 | 109.6° | 109.4° |
| C60 | C53 | C54 | 108.7° | 109.5° |
| C60 | C53 | C52 | 108.4° | 109.5° |
| C60 | C53 | H34 | 109.7° | 109.5° |
| C53 | C60 | H45 | 109.7° | 109.4° |
| C53 | C60 | H46 | 109.7° | 109.4° |
| C58 | C51 | C59 | 109.4° | 109.5° |
| C58 | C51 | C52 | 109.0° | 109.5° |
| C58 | C51 | C32 | 108.0° | 109.5° |
| C51 | C58 | H41 | 109.6° | 109.5° |
| C51 | C58 | H42 | 109.6° | 109.5° |
| C54 | C55 | C59 | 108.8° | 109.5° |
| C55 | C54 | C53 | 110.8° | 109.5° |
| C55 | C54 | H35 | 109.1° | 109.4° |
| C55 | C54 | H36 | 109.1° | 109.5° |
| C54 | C55 | H37 | 110.0° | 109.5° |
| C55 | C59 | C51 | 109.8° | 109.5° |
| C59 | C55 | H37 | 109.9° | 109.5° |
| C55 | C59 | H43 | 109.4° | 109.4° |
| C55 | C59 | H44 | 109.4° | 109.5° |
| C54 | C53 | C52 | 110.5° | 109.5° |
| C54 | C53 | H34 | 109.7° | 109.4° |
| C53 | C54 | H35 | 109.1° | 109.5° |
| C53 | C54 | H36 | 109.1° | 109.5° |
| C53 | C52 | C51 | 109.2° | 109.5° |
| C53 | C52 | H32 | 109.6° | 109.5° |
| C53 | C52 | H33 | 109.6° | 109.4° |
| C52 | C53 | H34 | 109.8° | 109.5° |
| C59 | C51 | C52 | 111.1° | 109.4° |
| C59 | C51 | C32 | 109.8° | 109.5° |
| C51 | C59 | H43 | 109.4° | 109.5° |
| C51 | C59 | H44 | 109.4° | 109.5° |
| C52 | C51 | C32 | 109.5° | 109.5° |
| C51 | C52 | H32 | 109.6° | 109.5° |
| C51 | C52 | H33 | 109.5° | 109.4° |
| C51 | C32 | C19 | 119.2° | 109.5° |
| C51 | C32 | H13 | 107.0° | 109.5° |
| C51 | C32 | H14 | 107.0° | 109.4° |
| C4 | C3 | C2 | 120.2° | 120.0° |
| C3 | C4 | C5 | 118.3° | 120.0° |
| C3 | C4 | H1 | 120.9° | 119.9° |
| C4 | C3 | H18 | 119.9° | 120.1° |
| C3 | C2 | O39 | 118.3° | 120.1° |
| C3 | C2 | C7 | 121.0° | 119.9° |
| C2 | C3 | H18 | 119.9° | 120.0° |
| C2 | O39 | C40 | 112.2° | 117.0° |
| O39 | C2 | C7 | 120.6° | 120.0° |
| O39 | C40 | H15 | 109.5° | 109.5° |
| O39 | C40 | H16 | 109.4° | 109.5° |
| O39 | C40 | H17 | 109.5° | 109.5° |
| C4 | C5 | C6 | 121.3° | 120.2° |
| C4 | C5 | S8 | 118.4° | 119.9° |
| C5 | C4 | H1 | 120.9° | 120.0° |
| C2 | C7 | C6 | 118.5° | 119.9° |
| C2 | C7 | H3 | 120.7° | 120.1° |
| O9 | S8 | C5 | 108.7° | 106.4° |
| O9 | S8 | O10 | 112.1° | 123.2° |
| O9 | S8 | N11 | 109.6° | 106.4° |
| C7 | C6 | C5 | 119.7° | 120.0° |
| C7 | C6 | H2 | 120.1° | 120.0° |
| C6 | C7 | H3 | 120.8° | 120.0° |
| C32 | C19 | N20 | 105.8° | 109.5° |
| C32 | C19 | C17 | 111.7° | 109.5° |
| C19 | C32 | H13 | 107.0° | 109.5° |
| C19 | C32 | H14 | 107.0° | 109.5° |
| C32 | C19 | H26 | 109.3° | 109.5° |
| C6 | C5 | S8 | 119.7° | 119.9° |
| C5 | C6 | H2 | 120.1° | 120.0° |
| C5 | S8 | O10 | 109.1° | 106.4° |
| C5 | S8 | N11 | 109.6° | 107.2° |
| O10 | S8 | N11 | 107.8° | 106.4° |
| S8 | N11 | C16 | 114.2° | 120.0° |
| S8 | N11 | C42 | 113.1° | 120.0° |
| N20 | C19 | C17 | 110.3° | 109.5° |
| C19 | N20 | C21 | 123.9° | 120.0° |
| N20 | C19 | H26 | 110.4° | 109.5° |
| C19 | N20 | H27 | 118.1° | 120.1° |
| C19 | C17 | C16 | 111.9° | 109.4° |
| C19 | C17 | O18 | 111.0° | 109.4° |
| C19 | C17 | H6 | 107.7° | 109.4° |
| C17 | C19 | H26 | 109.4° | 109.5° |
| C29 | C30 | C31 | 102.5° | 101.0° |
| C30 | C29 | O28 | 104.6° | 105.1° |
| C30 | C29 | H8 | 110.7° | 110.3° |
| C30 | C29 | H9 | 110.7° | 110.4° |
| C29 | C30 | H10 | 111.2° | 111.1° |
| C29 | C30 | H11 | 111.2° | 111.1° |
| C30 | C31 | C24 | 111.2° | 108.5° |
| C30 | C31 | C27 | 104.0° | 102.3° |
| C31 | C30 | H10 | 111.2° | 111.2° |
| C31 | C30 | H11 | 111.2° | 111.1° |
| C30 | C31 | H12 | 112.1° | 113.6° |
| N11 | C16 | C17 | 109.5° | 109.4° |
| C16 | N11 | C42 | 116.8° | 120.0° |
| N11 | C16 | H4 | 109.5° | 109.5° |
| N11 | C16 | H5 | 109.5° | 109.5° |
| C16 | C17 | O18 | 109.2° | 109.5° |
| C17 | C16 | H4 | 109.5° | 109.5° |
| C17 | C16 | H5 | 109.5° | 109.5° |
| C16 | C17 | H6 | 107.7° | 109.5° |
| C29 | O28 | C27 | 108.3° | 110.2° |
| O28 | C29 | H8 | 110.7° | 110.3° |
| O28 | C29 | H9 | 110.7° | 110.3° |
| N11 | C42 | C48 | 111.9° | 109.5° |
| N11 | C42 | H19 | 108.9° | 109.5° |
| N11 | C42 | H20 | 108.8° | 109.5° |
| N20 | C21 | O22 | 123.7° | 120.0° |
| N20 | C21 | O23 | 114.8° | 120.0° |
| C21 | N20 | H27 | 118.1° | 120.0° |
| O18 | C17 | H6 | 109.2° | 109.5° |
| C17 | O18 | H7 | 109.5° | 114.1° |
| O22 | C21 | O23 | 121.5° | 120.0° |
| C21 | O23 | C24 | 116.6° | 117.0° |
| C24 | C31 | C27 | 104.6° | 102.9° |
| C31 | C24 | O23 | 107.4° | 111.0° |
| C31 | C24 | C25 | 99.3° | 101.5° |
| C24 | C31 | H12 | 112.0° | 113.6° |
| C31 | C24 | H28 | 113.4° | 111.0° |
| C31 | C27 | O28 | 108.1° | 107.2° |
| C31 | C27 | O26 | 107.0° | 107.5° |
| C27 | C31 | H12 | 112.3° | 114.8° |
| C31 | C27 | H31 | 109.5° | 110.7° |
| O28 | C27 | O26 | 110.6° | 109.2° |
| O28 | C27 | H31 | 110.7° | 110.7° |
| C42 | C48 | C47 | 120.6° | 120.0° |
| C42 | C48 | C43 | 120.3° | 120.0° |
| C48 | C42 | H19 | 108.8° | 109.4° |
| C48 | C42 | H20 | 108.9° | 109.5° |
| O23 | C24 | C25 | 106.8° | 111.0° |
| O23 | C24 | H28 | 115.2° | 110.9° |
| C24 | C25 | O26 | 103.2° | 105.0° |
| C25 | C24 | H28 | 113.4° | 111.0° |
| C24 | C25 | H29 | 111.0° | 110.4° |
| C24 | C25 | H30 | 111.0° | 110.3° |
| C27 | O26 | C25 | 106.9° | 110.0° |
| O26 | C27 | H31 | 110.8° | 111.3° |
| C47 | C48 | C43 | 119.1° | 119.9° |
| C48 | C47 | C46 | 120.3° | 120.1° |
| C48 | C47 | H25 | 119.9° | 120.0° |
| C48 | C43 | C44 | 120.5° | 120.0° |
| C48 | C43 | H21 | 119.7° | 120.0° |
| C47 | C46 | C45 | 120.7° | 120.0° |
| C47 | C46 | H24 | 119.7° | 120.0° |
| C46 | C47 | H25 | 119.8° | 119.9° |
| C43 | C44 | C45 | 120.5° | 120.0° |
| C44 | C43 | H21 | 119.7° | 120.0° |
| C43 | C44 | H22 | 119.8° | 120.0° |
| O26 | C25 | H29 | 111.0° | 110.3° |
| O26 | C25 | H30 | 111.0° | 110.4° |
| C46 | C45 | C44 | 118.9° | 120.0° |
| C46 | C45 | H23 | 120.5° | 120.0° |
| C45 | C46 | H24 | 119.7° | 120.0° |
| C45 | C44 | H22 | 119.8° | 120.0° |
| C44 | C45 | H23 | 120.6° | 120.0° |
| H4 | C16 | H5 | 109.5° | 109.5° |
| H8 | C29 | H9 | 109.5° | 110.3° |
| H10 | C30 | H11 | 109.5° | 111.0° |
| H13 | C32 | H14 | 109.5° | 109.5° |
| H15 | C40 | H16 | 109.5° | 109.4° |
| H15 | C40 | H17 | 109.4° | 109.5° |
| H16 | C40 | H17 | 109.5° | 109.4° |
| H19 | C42 | H20 | 109.5° | 109.5° |
| H29 | C25 | H30 | 109.4° | 110.3° |
| H32 | C52 | H33 | 109.5° | 109.5° |
| H35 | C54 | H36 | 109.5° | 109.5° |
| H38 | C56 | H39 | 109.4° | 109.5° |
| H41 | C58 | H42 | 109.5° | 109.5° |
| H43 | C59 | H44 | 109.5° | 109.4° |
| H45 | C60 | H46 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C57 | C56 | C55 | H38 | 120.0° | 120.1° |
| C57 | C56 | C55 | H39 | 120.0° | 120.0° |
| C56 | C57 | C60 | C58 | 120.7° | 120.0° |
| C56 | C57 | C60 | H40 | 120.5° | 120.0° |
| C56 | C57 | C58 | H40 | 119.1° | 119.9° |
| C56 | C57 | C60 | C53 | 59.1° | 60.0° |
| C56 | C57 | C58 | C51 | 61.0° | 60.0° |
| C57 | C56 | C55 | C54 | 58.5° | 60.0° |
| C57 | C56 | C55 | C59 | 60.2° | 60.0° |
| C57 | C56 | C55 | H37 | 179.2° | 180.0° |
| C57 | C56 | H38 | H39 | 120.1° | 120.0° |
| C56 | C57 | C58 | H41 | 58.8° | 179.9° |
| C56 | C57 | C58 | H42 | 179.1° | 60.0° |
| C56 | C57 | C60 | H45 | 179.0° | 60.0° |
| C56 | C57 | C60 | H46 | 60.8° | 180.0° |
| C55 | C56 | C57 | C60 | 59.1° | 59.9° |
| C55 | C56 | C57 | C58 | 61.3° | 60.0° |
| C56 | C55 | C54 | C59 | 119.0° | 119.9° |
| C56 | C55 | C54 | H37 | 120.6° | 120.0° |
| C56 | C55 | C59 | H37 | 120.6° | 120.0° |
| C56 | C55 | C54 | C53 | 60.6° | 60.0° |
| C56 | C55 | C59 | C51 | 59.9° | 60.0° |
| C56 | C55 | C54 | H35 | 59.6° | 180.0° |
| C56 | C55 | C54 | H36 | 179.2° | 60.0° |
| C55 | C56 | H38 | H39 | 120.2° | 119.9° |
| C55 | C56 | C57 | H40 | 179.6° | 180.0° |
| C56 | C55 | C59 | H43 | 179.9° | 60.1° |
| C56 | C55 | C59 | H44 | 60.2° | 180.0° |
| C60 | C57 | C58 | H40 | 118.7° | 120.0° |
| C57 | C60 | C53 | H45 | 119.9° | 120.0° |
| C57 | C60 | C53 | H46 | 119.9° | 120.1° |
| C60 | C57 | C58 | C51 | 61.1° | 60.0° |
| C57 | C60 | C53 | C54 | 58.5° | 60.0° |
| C57 | C60 | C53 | C52 | 61.7° | 60.0° |
| C57 | C60 | C53 | H34 | 178.5° | 180.0° |
| C60 | C57 | C56 | H38 | 60.9° | 180.0° |
| C60 | C57 | C56 | H39 | 179.1° | 60.0° |
| C60 | C57 | C58 | H41 | 179.0° | 60.0° |
| C60 | C57 | C58 | H42 | 58.7° | 180.0° |
| C57 | C60 | H45 | H46 | 120.3° | 120.0° |
| C58 | C57 | C60 | C53 | 61.6° | 60.0° |
| C57 | C58 | C51 | H41 | 119.9° | 120.0° |
| C57 | C58 | C51 | H42 | 119.9° | 120.0° |
| C57 | C58 | C51 | C59 | 60.3° | 60.0° |
| C57 | C58 | C51 | C52 | 61.3° | 60.0° |
| C57 | C58 | C51 | C32 | 179.8° | 180.0° |
| C58 | C57 | C56 | H38 | 178.7° | 60.0° |
| C58 | C57 | C56 | H39 | 58.7° | 180.0° |
| C57 | C58 | H41 | H42 | 120.3° | 119.9° |
| C58 | C57 | C60 | H45 | 58.3° | 180.0° |
| C58 | C57 | C60 | H46 | 178.5° | 60.0° |
| C60 | C53 | C54 | C55 | 60.7° | 60.0° |
| C60 | C53 | C54 | C52 | 118.8° | 120.0° |
| C60 | C53 | C54 | H34 | 120.0° | 120.0° |
| C60 | C53 | C52 | H34 | 119.8° | 120.0° |
| C60 | C53 | C52 | C51 | 61.9° | 60.0° |
| C60 | C53 | C52 | H32 | 58.0° | 180.0° |
| C60 | C53 | C52 | H33 | 178.1° | 60.0° |
| C60 | C53 | C54 | H35 | 59.5° | 180.0° |
| C60 | C53 | C54 | H36 | 179.1° | 60.0° |
| C53 | C60 | C57 | H40 | 179.7° | 180.0° |
| C53 | C60 | H45 | H46 | 120.3° | 119.9° |
| C58 | C51 | C59 | C55 | 60.0° | 60.0° |
| C58 | C51 | C52 | C53 | 61.8° | 60.0° |
| C58 | C51 | C59 | C52 | 120.4° | 120.0° |
| C58 | C51 | C59 | C32 | 118.4° | 120.0° |
| C58 | C51 | C52 | C32 | 117.9° | 120.0° |
| C58 | C51 | C32 | C19 | 160.2° | 68.5° |
| C58 | C51 | C32 | H13 | 38.8° | 171.5° |
| C58 | C51 | C32 | H14 | 78.4° | 51.5° |
| C58 | C51 | C52 | H32 | 58.1° | 180.0° |
| C58 | C51 | C52 | H33 | 178.2° | 60.0° |
| C51 | C58 | C57 | H40 | 179.9° | 180.0° |
| C51 | C58 | H41 | H42 | 120.3° | 120.1° |
| C58 | C51 | C59 | H43 | 180.0° | 60.0° |
| C58 | C51 | C59 | H44 | 60.0° | 180.0° |
| C54 | C55 | C59 | H37 | 120.5° | 120.0° |
| C55 | C54 | C53 | H35 | 120.2° | 119.9° |
| C55 | C54 | C53 | H36 | 120.2° | 120.1° |
| C55 | C54 | C53 | C52 | 58.1° | 60.0° |
| C54 | C55 | C59 | C51 | 59.0° | 60.0° |
| C55 | C54 | C53 | H34 | 179.3° | 180.0° |
| C55 | C54 | H35 | H36 | 119.4° | 120.0° |
| C54 | C55 | C56 | H38 | 61.5° | 180.0° |
| C54 | C55 | C56 | H39 | 178.4° | 60.0° |
| C54 | C55 | C59 | H43 | 61.0° | 180.0° |
| C54 | C55 | C59 | H44 | 179.0° | 60.0° |
| C59 | C55 | C54 | C53 | 58.3° | 59.9° |
| C55 | C59 | C51 | H43 | 120.0° | 120.0° |
| C55 | C59 | C51 | H44 | 120.0° | 120.0° |
| C55 | C59 | C51 | C52 | 60.4° | 60.0° |
| C55 | C59 | C51 | C32 | 178.4° | 180.0° |
| C59 | C55 | C54 | H35 | 178.5° | 60.0° |
| C59 | C55 | C54 | H36 | 61.9° | 180.0° |
| C59 | C55 | C56 | H38 | 179.8° | 60.1° |
| C59 | C55 | C56 | H39 | 59.7° | 180.0° |
| C55 | C59 | H43 | H44 | 119.9° | 120.0° |
| C54 | C53 | C52 | H34 | 121.1° | 119.9° |
| C54 | C53 | C52 | C51 | 57.1° | 60.1° |
| C54 | C53 | C52 | H32 | 177.1° | 60.0° |
| C54 | C53 | C52 | H33 | 62.8° | 180.0° |
| C53 | C54 | H35 | H36 | 119.4° | 120.0° |
| C53 | C54 | C55 | H37 | 178.7° | 180.0° |
| C54 | C53 | C60 | H45 | 178.4° | 60.0° |
| C54 | C53 | C60 | H46 | 61.4° | 179.9° |
| C53 | C52 | C51 | C59 | 58.8° | 60.0° |
| C53 | C52 | C51 | H32 | 120.0° | 120.1° |
| C53 | C52 | C51 | H33 | 120.0° | 119.9° |
| C53 | C52 | C51 | C32 | 179.8° | 180.0° |
| C53 | C52 | H32 | H33 | 120.2° | 120.0° |
| C52 | C53 | C54 | H35 | 178.3° | 59.9° |
| C52 | C53 | C54 | H36 | 62.1° | 179.9° |
| C52 | C53 | C60 | H45 | 58.2° | 180.0° |
| C52 | C53 | C60 | H46 | 178.5° | 60.0° |
| C59 | C51 | C52 | C32 | 121.4° | 120.0° |
| C59 | C51 | C32 | C19 | 40.9° | 51.5° |
| C59 | C51 | C32 | H13 | 80.5° | 68.5° |
| C59 | C51 | C32 | H14 | 162.3° | 171.5° |
| C59 | C51 | C52 | H32 | 178.8° | 60.0° |
| C59 | C51 | C52 | H33 | 61.2° | 180.0° |
| C51 | C59 | C55 | H37 | 179.5° | 180.0° |
| C59 | C51 | C58 | H41 | 59.6° | 180.0° |
| C59 | C51 | C58 | H42 | 179.8° | 60.0° |
| C51 | C59 | H43 | H44 | 119.9° | 120.0° |
| C52 | C51 | C32 | C19 | 81.3° | 171.4° |
| C52 | C51 | C32 | H13 | 157.3° | 51.5° |
| C52 | C51 | C32 | H14 | 40.1° | 68.5° |
| C51 | C52 | H32 | H33 | 120.1° | 119.9° |
| C51 | C52 | C53 | H34 | 178.2° | 180.0° |
| C52 | C51 | C58 | H41 | 178.8° | 60.0° |
| C52 | C51 | C58 | H42 | 58.6° | 179.9° |
| C52 | C51 | C59 | H43 | 59.6° | 180.0° |
| C52 | C51 | C59 | H44 | 179.6° | 60.0° |
| C51 | C32 | C19 | H13 | 121.4° | 120.0° |
| C51 | C32 | C19 | H14 | 121.4° | 120.0° |
| C51 | C32 | C19 | N20 | 65.7° | 68.7° |
| C51 | C32 | C19 | C17 | 174.2° | 171.3° |
| C51 | C32 | H13 | H14 | 115.6° | 119.9° |
| C51 | C32 | C19 | H26 | 53.1° | 51.3° |
| C32 | C51 | C52 | H32 | 59.8° | 60.0° |
| C32 | C51 | C52 | H33 | 60.3° | 60.0° |
| C32 | C51 | C58 | H41 | 59.9° | 60.0° |
| C32 | C51 | C58 | H42 | 60.3° | 60.0° |
| C32 | C51 | C59 | H43 | 61.6° | 60.0° |
| C32 | C51 | C59 | H44 | 58.3° | 60.0° |
| C4 | C3 | C2 | H18 | 180.0° | 180.0° |
| C4 | C3 | C2 | O39 | 177.1° | 179.7° |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C4 | C3 | C2 | C7 | 1.3° | 0.1° |
| C3 | C4 | C5 | C6 | 11.7° | 0.2° |
| C3 | C4 | C5 | S8 | 177.5° | 179.8° |
| C3 | C2 | O39 | C7 | 178.4° | 179.8° |
| C3 | C2 | O39 | C40 | 174.8° | 0.3° |
| C2 | C3 | C4 | C5 | 8.3° | 0.1° |
| C3 | C2 | C7 | C6 | 2.6° | 0.2° |
| C2 | C3 | C4 | H1 | 171.7° | 179.7° |
| C3 | C2 | C7 | H3 | 177.3° | 179.7° |
| O39 | C2 | C7 | C6 | 179.0° | 180.0° |
| O39 | C2 | C7 | H3 | 1.0° | 0.0° |
| C2 | O39 | C40 | H15 | 180.0° | 60.0° |
| C2 | O39 | C40 | H16 | 60.0° | 180.0° |
| C2 | O39 | C40 | H17 | 60.0° | 60.1° |
| O39 | C2 | C3 | H18 | 2.9° | 0.3° |
| C40 | O39 | C2 | C7 | 6.8° | 180.0° |
| O39 | C40 | H15 | H16 | 120.0° | 120.0° |
| O39 | C40 | H15 | H17 | 120.0° | 120.1° |
| O39 | C40 | H16 | H17 | 120.0° | 120.0° |
| C4 | C5 | S8 | O9 | 28.6° | 156.3° |
| C4 | C5 | C6 | C7 | 7.9° | 0.5° |
| C4 | C5 | C6 | S8 | 170.7° | 180.0° |
| C4 | C5 | S8 | O10 | 151.1° | 23.3° |
| C4 | C5 | S8 | N11 | 91.1° | 90.2° |
| C4 | C5 | C6 | H2 | 172.1° | 180.0° |
| C5 | C4 | C3 | H18 | 171.7° | 179.9° |
| C2 | C7 | C6 | H3 | 180.0° | 179.9° |
| C2 | C7 | C6 | C5 | 0.6° | 0.5° |
| C2 | C7 | C6 | H2 | 179.4° | 180.0° |
| C7 | C2 | C3 | H18 | 178.7° | 180.0° |
| O9 | S8 | C5 | C6 | 142.3° | 23.7° |
| O9 | S8 | C5 | O10 | 122.5° | 133.0° |
| O9 | S8 | C5 | N11 | 119.8° | 113.5° |
| O9 | S8 | O10 | N11 | 120.7° | 122.9° |
| O9 | S8 | N11 | C16 | 29.8° | 162.8° |
| O9 | S8 | N11 | C42 | 166.6° | 17.2° |
| C7 | C6 | C5 | H2 | 180.0° | 179.5° |
| C7 | C6 | C5 | S8 | 178.5° | 179.5° |
| C32 | C19 | N20 | C17 | 120.9° | 120.0° |
| C32 | C19 | N20 | H26 | 118.1° | 120.0° |
| C32 | C19 | C17 | H26 | 121.1° | 120.0° |
| C32 | C19 | C17 | C16 | 66.9° | 65.0° |
| C32 | C19 | N20 | C21 | 131.7° | 134.3° |
| C32 | C19 | C17 | O18 | 55.5° | 55.0° |
| C32 | C19 | C17 | H6 | 175.0° | 175.0° |
| C19 | C32 | H13 | H14 | 115.6° | 120.0° |
| C32 | C19 | N20 | H27 | 48.3° | 45.6° |
| C6 | C5 | S8 | O10 | 19.8° | 156.7° |
| C6 | C5 | S8 | N11 | 97.9° | 89.8° |
| C6 | C5 | C4 | H1 | 168.3° | 180.0° |
| C5 | C6 | C7 | H3 | 179.4° | 179.4° |
| C5 | S8 | O10 | N11 | 118.9° | 114.1° |
| C5 | S8 | N11 | C16 | 89.4° | 83.7° |
| C5 | S8 | N11 | C42 | 47.4° | 96.3° |
| S8 | C5 | C4 | H1 | 2.5° | 0.0° |
| S8 | C5 | C6 | H2 | 1.5° | 0.0° |
| O10 | S8 | N11 | C16 | 152.0° | 29.9° |
| O10 | S8 | N11 | C42 | 71.2° | 150.1° |
| S8 | N11 | C16 | C42 | 135.1° | 180.0° |
| S8 | N11 | C16 | C17 | 120.4° | 95.0° |
| S8 | N11 | C42 | C48 | 99.6° | 99.1° |
| S8 | N11 | C16 | H4 | 119.6° | 25.0° |
| S8 | N11 | C16 | H5 | 0.3° | 145.0° |
| S8 | N11 | C42 | H19 | 20.7° | 20.9° |
| S8 | N11 | C42 | H20 | 140.0° | 140.9° |
| N20 | C19 | C17 | H26 | 121.6° | 120.0° |
| N20 | C19 | C17 | C16 | 175.8° | 175.0° |
| C19 | N20 | C21 | H27 | 180.0° | 179.9° |
| N20 | C19 | C17 | O18 | 61.9° | 65.0° |
| C19 | N20 | C21 | O22 | 0.3° | 5.6° |
| C19 | N20 | C21 | O23 | 178.1° | 174.4° |
| N20 | C19 | C17 | H6 | 57.6° | 55.0° |
| N20 | C19 | C32 | H13 | 172.9° | 51.3° |
| N20 | C19 | C32 | H14 | 55.7° | 171.3° |
| C19 | C17 | C16 | N11 | 76.2° | 175.0° |
| C19 | C17 | C16 | O18 | 123.4° | 120.0° |
| C19 | C17 | C16 | H6 | 118.2° | 120.0° |
| C17 | C19 | N20 | C21 | 107.4° | 105.7° |
| C19 | C17 | O18 | H6 | 118.6° | 120.0° |
| C19 | C17 | C16 | H4 | 163.8° | 65.0° |
| C19 | C17 | C16 | H5 | 43.8° | 55.0° |
| C19 | C17 | O18 | H7 | 180.0° | 60.0° |
| C17 | C19 | C32 | H13 | 52.9° | 68.7° |
| C17 | C19 | C32 | H14 | 64.4° | 51.3° |
| C17 | C19 | N20 | H27 | 72.6° | 74.4° |
| C29 | C30 | C31 | H10 | 118.9° | 118.0° |
| C29 | C30 | C31 | H11 | 118.9° | 117.9° |
| C30 | C29 | O28 | H8 | 119.2° | 118.8° |
| C30 | C29 | O28 | H9 | 119.2° | 119.0° |
| C29 | C30 | C31 | C24 | 88.8° | 142.3° |
| C29 | C30 | C31 | C27 | 23.3° | 34.1° |
| C30 | C29 | O28 | C27 | 33.5° | 24.6° |
| C30 | C29 | H8 | H9 | 122.3° | 122.2° |
| C29 | C30 | H10 | H11 | 123.3° | 124.1° |
| C29 | C30 | C31 | H12 | 144.9° | 90.2° |
| C31 | C30 | C29 | O28 | 34.9° | 36.6° |
| C30 | C31 | C24 | C27 | 111.7° | 107.9° |
| C30 | C31 | C24 | H12 | 126.3° | 127.5° |
| C30 | C31 | C27 | H12 | 121.5° | 123.5° |
| C30 | C31 | C27 | O28 | 4.4° | 21.2° |
| C30 | C31 | C24 | O23 | 30.1° | 41.3° |
| C30 | C31 | C24 | C25 | 141.0° | 76.7° |
| C30 | C31 | C27 | O26 | 123.6° | 96.1° |
| C31 | C30 | C29 | H8 | 84.3° | 82.3° |
| C31 | C30 | C29 | H9 | 154.1° | 155.5° |
| C31 | C30 | H10 | H11 | 123.2° | 124.2° |
| C30 | C31 | C24 | H28 | 98.4° | 165.2° |
| C30 | C31 | C27 | H31 | 116.3° | 142.1° |
| N11 | C16 | C17 | H4 | 120.0° | 120.0° |
| N11 | C16 | C17 | H5 | 120.0° | 120.0° |
| N11 | C16 | C17 | O18 | 160.4° | 65.0° |
| C16 | N11 | C42 | C48 | 124.8° | 80.9° |
| N11 | C16 | H4 | H5 | 120.0° | 120.0° |
| N11 | C16 | C17 | H6 | 42.0° | 55.0° |
| C16 | N11 | C42 | H19 | 114.9° | 159.2° |
| C16 | N11 | C42 | H20 | 4.4° | 39.1° |
| C17 | C16 | N11 | C42 | 104.5° | 85.0° |
| C16 | C17 | O18 | H6 | 117.5° | 120.1° |
| C17 | C16 | H4 | H5 | 120.0° | 120.0° |
| C16 | C17 | O18 | H7 | 56.1° | 59.9° |
| C16 | C17 | C19 | H26 | 54.2° | 55.0° |
| C29 | O28 | C27 | C31 | 18.4° | 2.0° |
| C29 | O28 | C27 | O26 | 98.4° | 118.2° |
| O28 | C29 | H8 | H9 | 122.3° | 122.1° |
| O28 | C29 | C30 | H10 | 84.0° | 154.6° |
| O28 | C29 | C30 | H11 | 153.7° | 81.4° |
| C29 | O28 | C27 | H31 | 138.4° | 118.9° |
| N11 | C42 | C48 | H19 | 120.4° | 120.0° |
| N11 | C42 | C48 | H20 | 120.4° | 120.0° |
| N11 | C42 | C48 | C47 | 38.5° | 96.6° |
| N11 | C42 | C48 | C43 | 140.7° | 83.9° |
| C42 | N11 | C16 | H4 | 15.5° | 155.0° |
| C42 | N11 | C16 | H5 | 135.4° | 35.0° |
| N11 | C42 | H19 | H20 | 118.9° | 120.1° |
| N20 | C21 | O22 | O23 | 178.3° | 180.0° |
| N20 | C21 | O23 | C24 | 172.3° | 180.0° |
| C21 | N20 | C19 | H26 | 13.6° | 14.3° |
| O18 | C17 | C16 | H4 | 40.4° | 55.0° |
| O18 | C17 | C16 | H5 | 79.6° | 175.0° |
| O18 | C17 | C19 | H26 | 176.6° | 175.0° |
| O22 | C21 | O23 | C24 | 9.2° | 0.0° |
| O22 | C21 | N20 | H27 | 179.7° | 174.4° |
| C21 | O23 | C24 | C31 | 122.2° | 150.0° |
| C21 | O23 | C24 | C25 | 132.1° | 97.9° |
| O23 | C21 | N20 | H27 | 1.9° | 5.5° |
| C21 | O23 | C24 | H28 | 5.2° | 26.0° |
| C24 | C31 | C27 | H12 | 121.8° | 123.9° |
| C24 | C31 | C27 | O28 | 112.4° | 133.7° |
| C31 | C24 | O23 | C25 | 105.7° | 112.1° |
| C31 | C24 | O23 | H28 | 127.4° | 124.0° |
| C31 | C24 | C25 | H28 | 120.6° | 118.1° |
| C24 | C31 | C27 | O26 | 6.8° | 16.4° |
| C31 | C24 | C25 | O26 | 42.5° | 36.3° |
| C24 | C31 | C30 | H10 | 152.3° | 99.7° |
| C24 | C31 | C30 | H11 | 30.0° | 24.4° |
| C31 | C24 | C25 | H29 | 76.6° | 155.1° |
| C31 | C24 | C25 | H30 | 161.5° | 82.7° |
| C24 | C31 | C27 | H31 | 126.9° | 105.4° |
| C31 | C27 | O28 | O26 | 116.8° | 116.2° |
| C31 | C27 | O28 | H31 | 120.0° | 120.9° |
| C27 | C31 | C24 | O23 | 81.6° | 149.2° |
| C27 | C31 | C24 | C25 | 29.3° | 31.1° |
| C31 | C27 | O26 | H31 | 119.3° | 121.4° |
| C31 | C27 | O26 | C25 | 21.1° | 6.8° |
| C27 | C31 | C30 | H10 | 95.6° | 152.0° |
| C27 | C31 | C30 | H11 | 142.1° | 83.8° |
| C27 | C31 | C24 | H28 | 149.9° | 86.9° |
| O28 | C27 | O26 | H31 | 123.2° | 122.6° |
| O28 | C27 | O26 | C25 | 138.7° | 109.2° |
| C27 | O28 | C29 | H8 | 85.7° | 94.2° |
| C27 | O28 | C29 | H9 | 152.8° | 143.7° |
| O28 | C27 | C31 | H12 | 125.9° | 102.4° |
| C42 | C48 | C47 | C43 | 179.2° | 179.5° |
| C42 | C48 | C47 | C46 | 178.5° | 180.0° |
| C42 | C48 | C43 | C44 | 177.8° | 180.0° |
| C48 | C42 | H19 | H20 | 118.9° | 119.9° |
| C42 | C48 | C43 | H21 | 2.2° | 0.3° |
| C42 | C48 | C47 | H25 | 1.5° | 0.2° |
| O23 | C24 | C25 | H28 | 128.0° | 123.8° |
| O23 | C24 | C25 | O26 | 68.9° | 154.3° |
| O23 | C24 | C31 | H12 | 156.4° | 86.2° |
| O23 | C24 | C25 | H29 | 172.0° | 86.8° |
| O23 | C24 | C25 | H30 | 50.1° | 35.3° |
| C24 | C25 | O26 | C27 | 40.6° | 27.4° |
| C24 | C25 | O26 | H29 | 119.0° | 118.9° |
| C24 | C25 | O26 | H30 | 119.0° | 118.9° |
| C25 | C24 | C31 | H12 | 92.6° | 155.8° |
| C24 | C25 | H29 | H30 | 122.9° | 122.2° |
| O26 | C27 | C31 | H12 | 115.0° | 140.3° |
| C27 | O26 | C25 | H29 | 78.4° | 146.3° |
| C27 | O26 | C25 | H30 | 159.6° | 91.5° |
| C48 | C47 | C46 | H25 | 180.0° | 179.7° |
| C47 | C48 | C43 | C44 | 1.4° | 0.6° |
| C48 | C47 | C46 | C45 | 1.3° | 0.3° |
| C47 | C48 | C42 | H19 | 158.9° | 23.4° |
| C47 | C48 | C42 | H20 | 81.8° | 143.3° |
| C47 | C48 | C43 | H21 | 178.6° | 179.7° |
| C48 | C47 | C46 | H24 | 178.7° | 179.7° |
| C43 | C48 | C47 | C46 | 0.7° | 0.6° |
| C48 | C43 | C44 | H21 | 180.0° | 179.7° |
| C48 | C43 | C44 | C45 | 0.1° | 0.3° |
| C43 | C48 | C42 | H19 | 20.3° | 156.1° |
| C43 | C48 | C42 | H20 | 99.0° | 36.1° |
| C48 | C43 | C44 | H22 | 179.9° | 179.7° |
| C43 | C48 | C47 | H25 | 179.3° | 179.7° |
| C47 | C46 | C45 | H24 | 180.0° | 180.0° |
| C47 | C46 | C45 | C44 | 2.6° | 0.0° |
| C47 | C46 | C45 | H23 | 177.4° | 180.0° |
| C43 | C44 | C45 | C46 | 1.9° | 0.0° |
| C43 | C44 | C45 | H22 | 180.0° | 180.0° |
| C43 | C44 | C45 | H23 | 178.1° | 180.0° |
| O26 | C25 | C24 | H28 | 163.1° | 81.8° |
| O26 | C25 | H29 | H30 | 122.9° | 122.3° |
| C25 | O26 | C27 | H31 | 98.2° | 128.2° |
| C46 | C45 | C44 | H23 | 180.0° | 180.0° |
| C46 | C45 | C44 | H22 | 178.1° | 180.0° |
| C45 | C46 | C47 | H25 | 178.7° | 180.0° |
| C45 | C44 | C43 | H21 | 179.9° | 180.0° |
| C44 | C45 | C46 | H24 | 177.4° | 180.0° |
| H1 | C4 | C3 | H18 | 8.3° | 0.3° |
| H2 | C6 | C7 | H3 | 0.6° | 0.1° |
| H4 | C16 | C17 | H6 | 78.0° | 175.0° |
| H5 | C16 | C17 | H6 | 162.0° | 64.9° |
| H6 | C17 | O18 | H7 | 61.4° | 180.0° |
| H6 | C17 | C19 | H26 | 63.9° | 65.0° |
| H8 | C29 | C30 | H10 | 156.8° | 35.7° |
| H8 | C29 | C30 | H11 | 34.5° | 159.7° |
| H9 | C29 | C30 | H10 | 35.2° | 86.5° |
| H9 | C29 | C30 | H11 | 87.1° | 37.6° |
| H10 | C30 | C31 | H12 | 26.0° | 27.8° |
| H11 | C30 | C31 | H12 | 96.3° | 151.9° |
| H12 | C31 | C24 | H28 | 28.0° | 37.7° |
| H12 | C31 | C27 | H31 | 5.1° | 18.5° |
| H13 | C32 | C19 | H26 | 68.3° | 171.3° |
| H14 | C32 | C19 | H26 | 174.5° | 68.7° |
| H15 | C40 | H16 | H17 | 120.0° | 120.0° |
| H21 | C43 | C44 | H22 | 0.1° | 0.0° |
| H22 | C44 | C45 | H23 | 2.0° | 0.0° |
| H23 | C45 | C46 | H24 | 2.6° | 0.0° |
| H24 | C46 | C47 | H25 | 1.3° | 0.0° |
| H26 | C19 | N20 | H27 | 166.4° | 165.6° |
| H28 | C24 | C25 | H29 | 44.1° | 37.0° |
| H28 | C24 | C25 | H30 | 77.9° | 159.2° |
| H32 | C52 | C53 | H34 | 61.8° | 60.0° |
| H33 | C52 | C53 | H34 | 58.3° | 60.1° |
| H34 | C53 | C54 | H35 | 60.5° | 60.0° |
| H34 | C53 | C54 | H36 | 59.1° | 60.0° |
| H34 | C53 | C60 | H45 | 61.6° | 60.0° |
| H34 | C53 | C60 | H46 | 58.6° | 60.0° |
| H35 | C54 | C55 | H37 | 61.1° | 60.0° |
| H36 | C54 | C55 | H37 | 58.5° | 60.0° |
| H37 | C55 | C56 | H38 | 59.2° | 60.0° |
| H37 | C55 | C56 | H39 | 60.9° | 60.0° |
| H37 | C55 | C59 | H43 | 59.5° | 59.9° |
| H37 | C55 | C59 | H44 | 60.5° | 60.0° |
| H38 | C56 | C57 | H40 | 59.6° | 60.0° |
| H39 | C56 | C57 | H40 | 60.4° | 60.1° |
| H40 | C57 | C58 | H41 | 60.3° | 60.0° |
| H40 | C57 | C58 | H42 | 60.0° | 60.0° |
| H40 | C57 | C60 | H45 | 60.4° | 60.0° |
| H40 | C57 | C60 | H46 | 59.8° | 60.0° |
