HWY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C24 | sing | 1.55Å | 1.57Å | |
| C25 | C26 | sing | 1.54Å | 1.50Å | |
| C15 | C13 | sing | 1.53Å | 1.50Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C24 | C31 | sing | 1.55Å | 1.50Å | |
| C24 | O23 | sing | 1.45Å | 1.40Å | |
| C26 | C30 | sing | 1.55Å | 1.50Å | |
| C26 | O27 | sing | 1.46Å | 1.46Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C31 | C30 | sing | 1.54Å | 1.55Å | |
| C30 | N29 | sing | 1.47Å | 1.47Å | |
| O22 | C21 | doub | 1.21Å | 1.24Å | |
| O23 | C21 | sing | 1.35Å | 1.40Å | |
| O27 | C28 | sing | 1.34Å | 1.36Å | |
| C12 | N11 | sing | 1.47Å | 1.47Å | |
| C21 | N20 | sing | 1.35Å | 1.26Å | |
| N29 | C28 | sing | 1.34Å | 1.32Å | |
| N29 | C41 | sing | 1.40Å | 1.42Å | |
| O10 | S8 | doub | 1.42Å | 1.43Å | |
| C28 | O51 | doub | 1.22Å | 1.21Å | |
| N11 | S8 | sing | 1.66Å | 1.67Å | |
| N11 | C16 | sing | 1.47Å | 1.49Å | |
| N20 | C19 | sing | 1.46Å | 1.42Å | |
| C46 | C41 | doub | 1.39Å | 1.38Å | Aromatic |
| C46 | C45 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | C19 | sing | 1.53Å | 1.59Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C17 | O18 | sing | 1.43Å | 1.46Å | |
| C6 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.35Å | Aromatic |
| C41 | C42 | sing | 1.39Å | 1.38Å | Aromatic |
| S8 | C5 | sing | 1.76Å | 1.69Å | |
| S8 | O9 | doub | 1.42Å | 1.44Å | |
| C19 | C32 | sing | 1.53Å | 1.51Å | |
| C7 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.42Å | Aromatic |
| C45 | C44 | doub | 1.38Å | 1.37Å | Aromatic |
| C42 | C43 | doub | 1.38Å | 1.41Å | Aromatic |
| C40 | O39 | sing | 1.43Å | 1.43Å | |
| C37 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C38 | sing | 1.51Å | 1.49Å | |
| C2 | O39 | sing | 1.36Å | 1.38Å | |
| C2 | C3 | doub | 1.39Å | 1.35Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.41Å | Aromatic |
| C38 | C33 | doub | 1.38Å | 1.37Å | Aromatic |
| C44 | C43 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C30 | H12 | sing | 1.09Å | 1.10Å | |
| C46 | H13 | sing | 1.08Å | 1.08Å | |
| C45 | H14 | sing | 1.08Å | 1.08Å | |
| C44 | H15 | sing | 1.08Å | 1.08Å | |
| C43 | H16 | sing | 1.08Å | 1.08Å | |
| C42 | H17 | sing | 1.08Å | 1.08Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| N20 | H22 | sing | 0.97Å | 1.00Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C37 | H25 | sing | 1.08Å | 1.08Å | |
| C36 | H26 | sing | 1.08Å | 1.08Å | |
| C35 | H27 | sing | 1.08Å | 1.08Å | |
| C34 | H28 | sing | 1.08Å | 1.08Å | |
| C33 | H29 | sing | 1.08Å | 1.08Å | |
| O18 | H30 | sing | 0.97Å | 0.95Å | |
| C13 | H31 | sing | 1.09Å | 1.10Å | |
| C15 | H32 | sing | 1.09Å | 1.10Å | |
| C15 | H33 | sing | 1.09Å | 1.10Å | |
| C15 | H34 | sing | 1.09Å | 1.10Å | |
| C4 | H35 | sing | 1.08Å | 1.08Å | |
| C3 | H36 | sing | 1.08Å | 1.08Å | |
| C6 | H37 | sing | 1.08Å | 1.08Å | |
| C7 | H38 | sing | 1.08Å | 1.08Å | |
| C40 | H39 | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H41 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C25 | C26 | 103.2° | 104.3° |
| C25 | C24 | C31 | 105.0° | 102.8° |
| C25 | C24 | O23 | 105.8° | 110.7° |
| C25 | C24 | H10 | 111.5° | 110.9° |
| C24 | C25 | H18 | 111.0° | 110.5° |
| C24 | C25 | H19 | 111.0° | 110.5° |
| C25 | C26 | C30 | 111.4° | 106.4° |
| C25 | C26 | O27 | 106.9° | 109.3° |
| C25 | C26 | H11 | 110.7° | 112.7° |
| C26 | C25 | H18 | 111.0° | 110.4° |
| C26 | C25 | H19 | 111.0° | 110.4° |
| C15 | C13 | C14 | 109.1° | 109.5° |
| C15 | C13 | C12 | 104.9° | 109.5° |
| C15 | C13 | H31 | 111.6° | 109.4° |
| C13 | C15 | H32 | 109.5° | 109.5° |
| C13 | C15 | H33 | 109.5° | 109.4° |
| C13 | C15 | H34 | 109.4° | 109.4° |
| C14 | C13 | C12 | 109.2° | 109.5° |
| C13 | C14 | H3 | 109.5° | 109.4° |
| C13 | C14 | H4 | 109.5° | 109.5° |
| C13 | C14 | H5 | 109.5° | 109.5° |
| C14 | C13 | H31 | 111.0° | 109.5° |
| C31 | C24 | O23 | 107.3° | 110.8° |
| C24 | C31 | C30 | 108.4° | 104.3° |
| C31 | C24 | H10 | 112.5° | 110.7° |
| C24 | C31 | H20 | 109.8° | 110.4° |
| C24 | C31 | H21 | 109.7° | 110.5° |
| C24 | O23 | C21 | 118.8° | 117.0° |
| O23 | C24 | H10 | 114.2° | 110.7° |
| C30 | C26 | O27 | 105.8° | 103.8° |
| C26 | C30 | C31 | 104.0° | 106.4° |
| C26 | C30 | N29 | 101.1° | 103.7° |
| C30 | C26 | H11 | 110.7° | 112.1° |
| C26 | C30 | H12 | 112.2° | 112.1° |
| C26 | O27 | C28 | 108.8° | 109.6° |
| O27 | C26 | H11 | 111.3° | 112.0° |
| C13 | C12 | N11 | 113.2° | 109.4° |
| C13 | C12 | H1 | 108.5° | 109.4° |
| C13 | C12 | H2 | 108.5° | 109.5° |
| C12 | C13 | H31 | 110.8° | 109.5° |
| C31 | C30 | N29 | 114.5° | 109.3° |
| C31 | C30 | H12 | 111.5° | 112.8° |
| C30 | C31 | H20 | 109.8° | 110.4° |
| C30 | C31 | H21 | 109.7° | 110.5° |
| C30 | N29 | C28 | 112.5° | 109.0° |
| C30 | N29 | C41 | 124.9° | 125.5° |
| N29 | C30 | H12 | 112.7° | 112.1° |
| O22 | C21 | O23 | 110.9° | 120.0° |
| O22 | C21 | N20 | 130.4° | 119.9° |
| O23 | C21 | N20 | 118.4° | 120.0° |
| O27 | C28 | N29 | 110.1° | 113.9° |
| O27 | C28 | O51 | 116.9° | 123.0° |
| C12 | N11 | S8 | 115.8° | 120.0° |
| C12 | N11 | C16 | 117.4° | 120.0° |
| N11 | C12 | H1 | 108.5° | 109.5° |
| N11 | C12 | H2 | 108.5° | 109.5° |
| C21 | N20 | C19 | 124.4° | 120.0° |
| C21 | N20 | H22 | 117.8° | 119.9° |
| C28 | N29 | C41 | 122.6° | 125.4° |
| N29 | C28 | O51 | 133.0° | 123.1° |
| N29 | C41 | C46 | 117.5° | 120.0° |
| N29 | C41 | C42 | 122.2° | 120.1° |
| O10 | S8 | N11 | 103.7° | 106.4° |
| O10 | S8 | C5 | 107.8° | 106.4° |
| O10 | S8 | O9 | 120.6° | 123.1° |
| S8 | N11 | C16 | 115.2° | 120.0° |
| N11 | S8 | C5 | 111.1° | 107.2° |
| N11 | S8 | O9 | 106.8° | 106.4° |
| N11 | C16 | C17 | 108.0° | 109.5° |
| N11 | C16 | H6 | 109.8° | 109.4° |
| N11 | C16 | H7 | 109.9° | 109.5° |
| N20 | C19 | C17 | 113.3° | 109.5° |
| N20 | C19 | C32 | 107.8° | 109.5° |
| N20 | C19 | H9 | 106.9° | 109.5° |
| C19 | N20 | H22 | 117.8° | 120.1° |
| C41 | C46 | C45 | 120.1° | 119.9° |
| C46 | C41 | C42 | 120.3° | 119.8° |
| C41 | C46 | H13 | 120.0° | 120.0° |
| C46 | C45 | C44 | 119.1° | 120.0° |
| C45 | C46 | H13 | 120.0° | 120.0° |
| C46 | C45 | H14 | 120.5° | 120.0° |
| C19 | C17 | C16 | 112.8° | 109.4° |
| C19 | C17 | O18 | 103.0° | 109.5° |
| C17 | C19 | C32 | 116.9° | 109.5° |
| C19 | C17 | H8 | 109.6° | 109.4° |
| C17 | C19 | H9 | 105.2° | 109.5° |
| C16 | C17 | O18 | 109.5° | 109.5° |
| C17 | C16 | H6 | 109.8° | 109.5° |
| C17 | C16 | H7 | 109.8° | 109.5° |
| C16 | C17 | H8 | 110.2° | 109.5° |
| O18 | C17 | H8 | 111.5° | 109.5° |
| C17 | O18 | H30 | 109.5° | 114.0° |
| C7 | C6 | C5 | 122.2° | 120.0° |
| C6 | C7 | C2 | 117.9° | 120.0° |
| C7 | C6 | H37 | 118.9° | 120.0° |
| C6 | C7 | H38 | 121.1° | 120.0° |
| C6 | C5 | S8 | 120.0° | 119.9° |
| C6 | C5 | C4 | 118.1° | 120.1° |
| C5 | C6 | H37 | 118.9° | 119.9° |
| C41 | C42 | C43 | 119.8° | 119.9° |
| C41 | C42 | H17 | 120.1° | 120.0° |
| C5 | S8 | O9 | 106.7° | 106.4° |
| S8 | C5 | C4 | 121.8° | 120.0° |
| C19 | C32 | C38 | 111.3° | 109.5° |
| C32 | C19 | H9 | 106.0° | 109.5° |
| C19 | C32 | H23 | 109.0° | 109.4° |
| C19 | C32 | H24 | 109.0° | 109.5° |
| C7 | C2 | O39 | 123.0° | 120.0° |
| C7 | C2 | C3 | 120.7° | 119.9° |
| C2 | C7 | H38 | 121.0° | 120.0° |
| C5 | C4 | C3 | 119.1° | 120.0° |
| C5 | C4 | H35 | 120.4° | 119.9° |
| C45 | C44 | C43 | 121.4° | 120.1° |
| C44 | C45 | H14 | 120.5° | 120.0° |
| C45 | C44 | H15 | 119.3° | 119.9° |
| C42 | C43 | C44 | 119.4° | 120.1° |
| C42 | C43 | H16 | 120.3° | 119.9° |
| C43 | C42 | H17 | 120.1° | 120.1° |
| C40 | O39 | C2 | 116.8° | 117.0° |
| O39 | C40 | H39 | 109.5° | 109.5° |
| O39 | C40 | H40 | 109.5° | 109.5° |
| O39 | C40 | H41 | 109.5° | 109.4° |
| C36 | C37 | C38 | 120.9° | 120.1° |
| C37 | C36 | C35 | 119.8° | 119.9° |
| C36 | C37 | H25 | 119.6° | 119.9° |
| C37 | C36 | H26 | 120.1° | 120.1° |
| C37 | C38 | C32 | 117.7° | 120.0° |
| C37 | C38 | C33 | 118.8° | 120.0° |
| C38 | C37 | H25 | 119.5° | 120.0° |
| C32 | C38 | C33 | 123.6° | 120.0° |
| C38 | C32 | H23 | 109.0° | 109.5° |
| C38 | C32 | H24 | 109.0° | 109.4° |
| O39 | C2 | C3 | 116.1° | 120.1° |
| C2 | C3 | C4 | 121.9° | 120.0° |
| C2 | C3 | H36 | 119.1° | 120.0° |
| C36 | C35 | C34 | 118.5° | 120.0° |
| C35 | C36 | H26 | 120.1° | 120.0° |
| C36 | C35 | H27 | 120.8° | 120.0° |
| C38 | C33 | C34 | 120.7° | 120.0° |
| C38 | C33 | H29 | 119.6° | 120.0° |
| C43 | C44 | H15 | 119.3° | 120.0° |
| C44 | C43 | H16 | 120.3° | 120.0° |
| C35 | C34 | C33 | 121.1° | 120.0° |
| C34 | C35 | H27 | 120.7° | 120.0° |
| C35 | C34 | H28 | 119.4° | 120.0° |
| C3 | C4 | H35 | 120.4° | 120.0° |
| C4 | C3 | H36 | 119.0° | 120.0° |
| C33 | C34 | H28 | 119.4° | 120.0° |
| C34 | C33 | H29 | 119.6° | 120.0° |
| H1 | C12 | H2 | 109.5° | 109.5° |
| H3 | C14 | H4 | 109.5° | 109.5° |
| H3 | C14 | H5 | 109.5° | 109.5° |
| H4 | C14 | H5 | 109.5° | 109.5° |
| H6 | C16 | H7 | 109.5° | 109.5° |
| H18 | C25 | H19 | 109.5° | 110.5° |
| H20 | C31 | H21 | 109.4° | 110.5° |
| H23 | C32 | H24 | 109.4° | 109.5° |
| H32 | C15 | H33 | 109.5° | 109.5° |
| H32 | C15 | H34 | 109.5° | 109.5° |
| H33 | C15 | H34 | 109.5° | 109.5° |
| H39 | C40 | H40 | 109.4° | 109.5° |
| H39 | C40 | H41 | 109.4° | 109.5° |
| H40 | C40 | H41 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C25 | C26 | H18 | 119.0° | 118.7° |
| C24 | C25 | C26 | H19 | 119.0° | 118.7° |
| C25 | C24 | C31 | O23 | 112.2° | 118.3° |
| C25 | C24 | C31 | H10 | 121.4° | 118.5° |
| C25 | C24 | O23 | H10 | 123.0° | 123.4° |
| C24 | C25 | C26 | C30 | 22.3° | 23.7° |
| C24 | C25 | C26 | O27 | 92.8° | 135.2° |
| C25 | C24 | C31 | C30 | 24.8° | 38.2° |
| C25 | C24 | O23 | C21 | 160.3° | 96.7° |
| C24 | C25 | C26 | H11 | 145.9° | 99.6° |
| C24 | C25 | H18 | H19 | 122.9° | 122.6° |
| C25 | C24 | C31 | H20 | 144.7° | 80.5° |
| C25 | C24 | C31 | H21 | 95.0° | 156.9° |
| C26 | C25 | C24 | C31 | 28.2° | 38.2° |
| C26 | C25 | C24 | O23 | 85.0° | 156.5° |
| C25 | C26 | C30 | O27 | 115.8° | 115.3° |
| C25 | C26 | C30 | H11 | 123.6° | 123.7° |
| C25 | C26 | O27 | H11 | 121.0° | 125.6° |
| C25 | C26 | C30 | C31 | 7.5° | 0.0° |
| C25 | C26 | C30 | N29 | 126.5° | 115.2° |
| C25 | C26 | O27 | C28 | 124.5° | 113.2° |
| C26 | C25 | C24 | H10 | 150.3° | 80.2° |
| C25 | C26 | C30 | H12 | 113.2° | 123.7° |
| C26 | C25 | H18 | H19 | 122.9° | 122.5° |
| C15 | C13 | C14 | C12 | 114.1° | 120.0° |
| C15 | C13 | C14 | H31 | 123.3° | 120.0° |
| C15 | C13 | C12 | H31 | 120.5° | 120.0° |
| C15 | C13 | C12 | N11 | 179.6° | 65.5° |
| C15 | C13 | C12 | H1 | 59.0° | 174.5° |
| C15 | C13 | C12 | H2 | 59.8° | 54.5° |
| C15 | C13 | C14 | H3 | 180.0° | 60.0° |
| C15 | C13 | C14 | H4 | 60.0° | 60.0° |
| C15 | C13 | C14 | H5 | 60.0° | 180.0° |
| C13 | C15 | H32 | H33 | 120.0° | 120.0° |
| C13 | C15 | H32 | H34 | 120.0° | 120.0° |
| C13 | C15 | H33 | H34 | 120.0° | 120.0° |
| C14 | C13 | C12 | H31 | 122.7° | 120.0° |
| C14 | C13 | C12 | N11 | 63.6° | 174.5° |
| C14 | C13 | C12 | H1 | 175.9° | 54.5° |
| C14 | C13 | C12 | H2 | 57.0° | 65.5° |
| C13 | C14 | H3 | H4 | 120.0° | 120.0° |
| C13 | C14 | H3 | H5 | 120.0° | 120.0° |
| C13 | C14 | H4 | H5 | 120.0° | 120.0° |
| C14 | C13 | C15 | H32 | 180.0° | 60.0° |
| C14 | C13 | C15 | H33 | 60.0° | 60.0° |
| C14 | C13 | C15 | H34 | 60.0° | 180.0° |
| C31 | C24 | O23 | H10 | 125.3° | 123.2° |
| C24 | C31 | C30 | C26 | 11.3° | 23.7° |
| C24 | C31 | C30 | H20 | 119.9° | 118.7° |
| C24 | C31 | C30 | H21 | 119.8° | 118.7° |
| C24 | C31 | C30 | N29 | 98.1° | 135.1° |
| C31 | C24 | O23 | C21 | 88.0° | 150.0° |
| C24 | C31 | C30 | H12 | 132.4° | 99.6° |
| C31 | C24 | C25 | H18 | 90.7° | 156.8° |
| C31 | C24 | C25 | H19 | 147.2° | 80.5° |
| C24 | C31 | H20 | H21 | 120.5° | 122.6° |
| O23 | C24 | C31 | C30 | 87.4° | 156.5° |
| C24 | O23 | C21 | O22 | 7.1° | 0.0° |
| C24 | O23 | C21 | N20 | 177.8° | 180.0° |
| O23 | C24 | C25 | H18 | 156.0° | 84.9° |
| O23 | C24 | C25 | H19 | 34.0° | 37.8° |
| O23 | C24 | C31 | H20 | 32.5° | 37.8° |
| O23 | C24 | C31 | H21 | 152.7° | 84.8° |
| C30 | C26 | O27 | H11 | 120.2° | 121.1° |
| C26 | C30 | C31 | N29 | 109.4° | 111.4° |
| C26 | C30 | C31 | H12 | 121.1° | 123.3° |
| C26 | C30 | N29 | H12 | 120.0° | 121.1° |
| C30 | C26 | O27 | C28 | 5.7° | 0.1° |
| C26 | C30 | N29 | C28 | 13.3° | 0.0° |
| C26 | C30 | N29 | C41 | 164.9° | 179.9° |
| C30 | C26 | C25 | H18 | 96.7° | 142.4° |
| C30 | C26 | C25 | H19 | 141.3° | 95.0° |
| C26 | C30 | C31 | H20 | 131.2° | 95.0° |
| C26 | C30 | C31 | H21 | 108.5° | 142.4° |
| O27 | C26 | C30 | C31 | 108.2° | 115.3° |
| O27 | C26 | C30 | N29 | 10.8° | 0.0° |
| C26 | O27 | C28 | N29 | 2.7° | 0.1° |
| C26 | O27 | C28 | O51 | 179.0° | 180.0° |
| O27 | C26 | C30 | H12 | 131.1° | 121.0° |
| O27 | C26 | C25 | H18 | 148.2° | 106.1° |
| O27 | C26 | C25 | H19 | 26.2° | 16.5° |
| C13 | C12 | N11 | H1 | 120.6° | 120.0° |
| C13 | C12 | N11 | H2 | 120.6° | 120.0° |
| C13 | C12 | N11 | S8 | 144.2° | 108.1° |
| C13 | C12 | N11 | C16 | 74.3° | 71.9° |
| C13 | C12 | H1 | H2 | 118.3° | 120.0° |
| C12 | C13 | C14 | H3 | 65.9° | 60.0° |
| C12 | C13 | C14 | H4 | 54.1° | 180.0° |
| C12 | C13 | C14 | H5 | 174.1° | 60.0° |
| C12 | C13 | C15 | H32 | 63.1° | 180.0° |
| C12 | C13 | C15 | H33 | 176.9° | 60.0° |
| C12 | C13 | C15 | H34 | 56.9° | 60.0° |
| C31 | C30 | N29 | H12 | 128.9° | 125.8° |
| C31 | C30 | N29 | C28 | 97.9° | 113.2° |
| C31 | C30 | N29 | C41 | 84.0° | 66.7° |
| C30 | C31 | C24 | H10 | 146.2° | 80.4° |
| C31 | C30 | C26 | H11 | 131.1° | 123.7° |
| C30 | C31 | H20 | H21 | 120.5° | 122.6° |
| C30 | N29 | C28 | O27 | 10.6° | 0.0° |
| C30 | N29 | C28 | C41 | 178.2° | 179.9° |
| C30 | N29 | C28 | O51 | 171.5° | 180.0° |
| C30 | N29 | C41 | C46 | 18.8° | 0.3° |
| C30 | N29 | C41 | C42 | 163.2° | 180.0° |
| N29 | C30 | C26 | H11 | 109.9° | 121.1° |
| N29 | C30 | C31 | H20 | 21.8° | 16.4° |
| N29 | C30 | C31 | H21 | 142.1° | 106.2° |
| O22 | C21 | O23 | N20 | 175.1° | 179.9° |
| O22 | C21 | N20 | C19 | 3.5° | 0.1° |
| O22 | C21 | N20 | H22 | 176.5° | 180.0° |
| O23 | C21 | N20 | C19 | 177.5° | 180.0° |
| C21 | O23 | C24 | H10 | 37.3° | 26.8° |
| O23 | C21 | N20 | H22 | 2.5° | 0.1° |
| O27 | C28 | N29 | O51 | 177.9° | 180.0° |
| O27 | C28 | N29 | C41 | 167.6° | 179.9° |
| C28 | O27 | C26 | H11 | 114.5° | 121.2° |
| C12 | N11 | S8 | O10 | 59.8° | 23.6° |
| C12 | N11 | S8 | C16 | 142.4° | 179.9° |
| C12 | N11 | C16 | C17 | 99.1° | 85.6° |
| C12 | N11 | S8 | C5 | 55.7° | 90.0° |
| C12 | N11 | S8 | O9 | 171.8° | 156.5° |
| N11 | C12 | H1 | H2 | 118.3° | 120.0° |
| C12 | N11 | C16 | H6 | 20.6° | 154.5° |
| C12 | N11 | C16 | H7 | 141.1° | 34.4° |
| N11 | C12 | C13 | H31 | 59.1° | 54.5° |
| C21 | N20 | C19 | H22 | 180.0° | 179.9° |
| C21 | N20 | C19 | C17 | 104.3° | 155.0° |
| C21 | N20 | C19 | C32 | 124.7° | 85.0° |
| C21 | N20 | C19 | H9 | 11.1° | 35.0° |
| C28 | N29 | C41 | C46 | 163.2° | 179.8° |
| C28 | N29 | C41 | C42 | 14.8° | 0.1° |
| C28 | N29 | C30 | H12 | 133.3° | 121.1° |
| C41 | N29 | C28 | O51 | 10.3° | 0.1° |
| N29 | C41 | C46 | C42 | 178.0° | 179.7° |
| N29 | C41 | C46 | C45 | 179.8° | 180.0° |
| N29 | C41 | C42 | C43 | 179.3° | 179.7° |
| C41 | N29 | C30 | H12 | 44.9° | 59.0° |
| N29 | C41 | C46 | H13 | 0.2° | 0.0° |
| N29 | C41 | C42 | H17 | 0.6° | 0.0° |
| O10 | S8 | N11 | C5 | 115.5° | 113.6° |
| O10 | S8 | N11 | O9 | 128.4° | 132.9° |
| O10 | S8 | N11 | C16 | 157.8° | 156.5° |
| O10 | S8 | C5 | C6 | 27.3° | 23.3° |
| O10 | S8 | C5 | O9 | 130.9° | 132.9° |
| O10 | S8 | C5 | C4 | 157.3° | 156.4° |
| S8 | N11 | C16 | C17 | 119.1° | 94.4° |
| N11 | S8 | C5 | C6 | 85.7° | 90.3° |
| N11 | S8 | C5 | O9 | 116.1° | 113.5° |
| N11 | S8 | C5 | C4 | 89.7° | 90.0° |
| S8 | N11 | C12 | H1 | 95.2° | 131.9° |
| S8 | N11 | C12 | H2 | 23.6° | 11.9° |
| S8 | N11 | C16 | H6 | 121.1° | 25.6° |
| S8 | N11 | C16 | H7 | 0.7° | 145.6° |
| N11 | C16 | C17 | C19 | 72.9° | 174.2° |
| N11 | C16 | C17 | H6 | 119.8° | 120.0° |
| N11 | C16 | C17 | H7 | 119.8° | 120.0° |
| N11 | C16 | C17 | O18 | 173.0° | 65.8° |
| C16 | N11 | S8 | C5 | 86.6° | 89.9° |
| C16 | N11 | S8 | O9 | 29.4° | 23.6° |
| C16 | N11 | C12 | H1 | 46.3° | 48.0° |
| C16 | N11 | C12 | H2 | 165.2° | 168.1° |
| N11 | C16 | H6 | H7 | 120.7° | 120.0° |
| N11 | C16 | C17 | H8 | 50.0° | 54.2° |
| N20 | C19 | C17 | C32 | 126.3° | 120.0° |
| N20 | C19 | C17 | H9 | 116.4° | 120.0° |
| N20 | C19 | C17 | C16 | 168.5° | 175.0° |
| N20 | C19 | C17 | O18 | 73.5° | 65.0° |
| N20 | C19 | C32 | H9 | 114.2° | 120.0° |
| N20 | C19 | C32 | C38 | 56.9° | 65.0° |
| N20 | C19 | C17 | H8 | 45.3° | 55.0° |
| N20 | C19 | C32 | H23 | 63.4° | 55.0° |
| N20 | C19 | C32 | H24 | 177.2° | 175.1° |
| C41 | C46 | C45 | H13 | 180.0° | 179.9° |
| C41 | C46 | C45 | C44 | 1.2° | 0.1° |
| C46 | C41 | C42 | C43 | 2.7° | 0.6° |
| C41 | C46 | C45 | H14 | 178.8° | 180.0° |
| C46 | C41 | C42 | H17 | 177.3° | 179.8° |
| C45 | C46 | C41 | C42 | 1.8° | 0.2° |
| C46 | C45 | C44 | H14 | 180.0° | 179.9° |
| C46 | C45 | C44 | C43 | 1.7° | 0.0° |
| C46 | C45 | C44 | H15 | 178.3° | 180.0° |
| C19 | C17 | C16 | O18 | 114.1° | 120.0° |
| C19 | C17 | C16 | H8 | 122.9° | 120.0° |
| C19 | C17 | O18 | H8 | 117.5° | 120.0° |
| C17 | C19 | C32 | H9 | 116.8° | 120.0° |
| C17 | C19 | C32 | C38 | 174.2° | 175.0° |
| C19 | C17 | C16 | H6 | 167.3° | 54.2° |
| C19 | C17 | C16 | H7 | 46.9° | 65.8° |
| C17 | C19 | N20 | H22 | 75.7° | 25.0° |
| C17 | C19 | C32 | H23 | 65.5° | 65.0° |
| C17 | C19 | C32 | H24 | 53.8° | 55.0° |
| C19 | C17 | O18 | H30 | 180.0° | 60.0° |
| C16 | C17 | O18 | H8 | 122.2° | 120.1° |
| C16 | C17 | C19 | C32 | 65.2° | 65.0° |
| C17 | C16 | H6 | H7 | 120.6° | 120.0° |
| C16 | C17 | C19 | H9 | 52.1° | 55.0° |
| C16 | C17 | O18 | H30 | 59.7° | 60.0° |
| O18 | C17 | C19 | C32 | 52.8° | 55.0° |
| O18 | C17 | C16 | H6 | 53.2° | 174.2° |
| O18 | C17 | C16 | H7 | 67.2° | 54.2° |
| O18 | C17 | C19 | H9 | 170.1° | 175.0° |
| C7 | C6 | C5 | H37 | 180.0° | 179.9° |
| C7 | C6 | C5 | S8 | 174.1° | 180.0° |
| C6 | C7 | C2 | H38 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 1.5° | 0.2° |
| C6 | C7 | C2 | O39 | 173.1° | 180.0° |
| C6 | C7 | C2 | C3 | 1.7° | 0.4° |
| C6 | C5 | S8 | C4 | 175.4° | 179.8° |
| C6 | C5 | S8 | O9 | 158.2° | 156.2° |
| C5 | C6 | C7 | C2 | 0.5° | 0.1° |
| C6 | C5 | C4 | C3 | 2.3° | 0.3° |
| C6 | C5 | C4 | H35 | 177.7° | 179.8° |
| C5 | C6 | C7 | H38 | 179.5° | 180.0° |
| C41 | C42 | C43 | H17 | 180.0° | 179.6° |
| C41 | C42 | C43 | C44 | 3.1° | 0.7° |
| C42 | C41 | C46 | H13 | 178.2° | 179.7° |
| C41 | C42 | C43 | H16 | 176.9° | 179.7° |
| S8 | C5 | C4 | C3 | 173.2° | 180.0° |
| S8 | C5 | C4 | H35 | 6.8° | 0.0° |
| S8 | C5 | C6 | H37 | 6.0° | 0.1° |
| O9 | S8 | C5 | C4 | 26.4° | 23.5° |
| C19 | C32 | C38 | C37 | 74.8° | 89.8° |
| C19 | C32 | C38 | H23 | 120.3° | 120.0° |
| C19 | C32 | C38 | H24 | 120.3° | 120.0° |
| C19 | C32 | C38 | C33 | 106.6° | 90.0° |
| C32 | C19 | C17 | H8 | 171.6° | 175.0° |
| C32 | C19 | N20 | H22 | 55.3° | 95.0° |
| C19 | C32 | H23 | H24 | 119.1° | 120.0° |
| C7 | C2 | O39 | C40 | 3.6° | 180.0° |
| C7 | C2 | O39 | C3 | 175.0° | 179.6° |
| C7 | C2 | C3 | C4 | 0.9° | 0.3° |
| C7 | C2 | C3 | H36 | 179.1° | 179.7° |
| C2 | C7 | C6 | H37 | 179.5° | 180.0° |
| C5 | C4 | C3 | C2 | 1.2° | 0.0° |
| C5 | C4 | C3 | H35 | 180.0° | 179.9° |
| C5 | C4 | C3 | H36 | 178.8° | 179.9° |
| C4 | C5 | C6 | H37 | 178.5° | 179.7° |
| C45 | C44 | C43 | C42 | 2.6° | 0.4° |
| C45 | C44 | C43 | H15 | 180.0° | 179.9° |
| C44 | C45 | C46 | H13 | 178.8° | 180.0° |
| C45 | C44 | C43 | H16 | 177.4° | 180.0° |
| C42 | C43 | C44 | H16 | 180.0° | 179.6° |
| C42 | C43 | C44 | H15 | 177.4° | 179.7° |
| C40 | O39 | C2 | C3 | 178.7° | 0.4° |
| O39 | C40 | H39 | H40 | 120.0° | 120.0° |
| O39 | C40 | H39 | H41 | 120.0° | 120.0° |
| O39 | C40 | H40 | H41 | 120.0° | 119.9° |
| C36 | C37 | C38 | H25 | 180.0° | 179.9° |
| C36 | C37 | C38 | C32 | 179.8° | 180.0° |
| C37 | C36 | C35 | H26 | 180.0° | 180.0° |
| C36 | C37 | C38 | C33 | 1.6° | 0.2° |
| C37 | C36 | C35 | C34 | 1.8° | 0.0° |
| C37 | C36 | C35 | H27 | 178.2° | 179.9° |
| C37 | C38 | C32 | C33 | 178.6° | 179.8° |
| C38 | C37 | C36 | C35 | 1.4° | 0.0° |
| C37 | C38 | C33 | C34 | 4.1° | 0.4° |
| C37 | C38 | C32 | H23 | 164.9° | 150.3° |
| C37 | C38 | C32 | H24 | 45.5° | 30.2° |
| C38 | C37 | C36 | H26 | 178.6° | 180.0° |
| C37 | C38 | C33 | H29 | 175.9° | 179.7° |
| C32 | C38 | C33 | C34 | 177.4° | 179.8° |
| C38 | C32 | C19 | H9 | 57.4° | 55.0° |
| C38 | C32 | H23 | H24 | 119.1° | 120.0° |
| C32 | C38 | C37 | H25 | 0.2° | 0.1° |
| C32 | C38 | C33 | H29 | 2.6° | 0.1° |
| O39 | C2 | C3 | C4 | 174.3° | 179.9° |
| O39 | C2 | C3 | H36 | 5.7° | 0.2° |
| O39 | C2 | C7 | H38 | 6.9° | 0.1° |
| C2 | O39 | C40 | H39 | 180.0° | 180.0° |
| C2 | O39 | C40 | H40 | 60.0° | 59.9° |
| C2 | O39 | C40 | H41 | 60.0° | 60.0° |
| C2 | C3 | C4 | H36 | 180.0° | 179.9° |
| C2 | C3 | C4 | H35 | 178.8° | 179.9° |
| C3 | C2 | C7 | H38 | 178.3° | 179.7° |
| C36 | C35 | C34 | H27 | 180.0° | 180.0° |
| C36 | C35 | C34 | C33 | 0.7° | 0.2° |
| C35 | C36 | C37 | H25 | 178.6° | 180.0° |
| C36 | C35 | C34 | H28 | 179.3° | 180.0° |
| C38 | C33 | C34 | C35 | 3.7° | 0.4° |
| C38 | C33 | C34 | H29 | 180.0° | 179.8° |
| C33 | C38 | C32 | H23 | 13.7° | 29.9° |
| C33 | C38 | C32 | H24 | 133.1° | 150.0° |
| C33 | C38 | C37 | H25 | 178.4° | 179.7° |
| C38 | C33 | C34 | H28 | 176.3° | 179.7° |
| C43 | C44 | C45 | H14 | 178.3° | 179.9° |
| C44 | C43 | C42 | H17 | 176.9° | 179.7° |
| C35 | C34 | C33 | H28 | 180.0° | 179.8° |
| C34 | C35 | C36 | H26 | 178.2° | 180.0° |
| C35 | C34 | C33 | H29 | 176.3° | 179.7° |
| C33 | C34 | C35 | H27 | 179.3° | 179.8° |
| H1 | C12 | C13 | H31 | 61.5° | 65.5° |
| H2 | C12 | C13 | H31 | 179.7° | 174.5° |
| H3 | C14 | H4 | H5 | 120.0° | 120.0° |
| H3 | C14 | C13 | H31 | 56.7° | 180.0° |
| H4 | C14 | C13 | H31 | 176.7° | 60.0° |
| H5 | C14 | C13 | H31 | 63.3° | 60.0° |
| H6 | C16 | C17 | H8 | 69.8° | 65.7° |
| H7 | C16 | C17 | H8 | 169.8° | 174.2° |
| H8 | C17 | C19 | H9 | 71.1° | 65.0° |
| H8 | C17 | O18 | H30 | 62.6° | 180.0° |
| H9 | C19 | N20 | H22 | 168.9° | 145.0° |
| H9 | C19 | C32 | H23 | 177.6° | 175.0° |
| H9 | C19 | C32 | H24 | 63.0° | 65.0° |
| H10 | C24 | C25 | H18 | 31.3° | 38.4° |
| H10 | C24 | C25 | H19 | 90.7° | 161.1° |
| H10 | C24 | C31 | H20 | 93.9° | 161.0° |
| H10 | C24 | C31 | H21 | 26.4° | 38.4° |
| H11 | C26 | C30 | H12 | 10.4° | 0.0° |
| H11 | C26 | C25 | H18 | 26.9° | 19.1° |
| H11 | C26 | C25 | H19 | 95.1° | 141.7° |
| H12 | C30 | C31 | H20 | 107.7° | 141.8° |
| H12 | C30 | C31 | H21 | 12.6° | 19.1° |
| H13 | C46 | C45 | H14 | 1.2° | 0.1° |
| H14 | C45 | C44 | H15 | 1.7° | 0.0° |
| H15 | C44 | C43 | H16 | 2.6° | 0.0° |
| H16 | C43 | C42 | H17 | 3.1° | 0.0° |
| H25 | C37 | C36 | H26 | 1.4° | 0.1° |
| H26 | C36 | C35 | H27 | 1.8° | 0.0° |
| H27 | C35 | C34 | H28 | 0.7° | 0.0° |
| H28 | C34 | C33 | H29 | 3.7° | 0.1° |
| H31 | C13 | C15 | H32 | 57.0° | 60.0° |
| H31 | C13 | C15 | H33 | 63.1° | 180.0° |
| H31 | C13 | C15 | H34 | 177.0° | 60.0° |
| H32 | C15 | H33 | H34 | 120.0° | 120.0° |
| H35 | C4 | C3 | H36 | 1.2° | 0.0° |
| H37 | C6 | C7 | H38 | 0.5° | 0.1° |
| H39 | C40 | H40 | H41 | 119.9° | 120.0° |
