9YA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O38 | C36 | doub | 1.22Å | 1.24Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C15 | C13 | sing | 1.53Å | 1.51Å | |
| C36 | O37 | sing | 1.35Å | 1.25Å | |
| C36 | C33 | sing | 1.47Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C34 | C33 | doub | 1.35Å | 1.33Å | Aromatic |
| C34 | S35 | sing | 1.71Å | 1.82Å | Aromatic |
| C33 | N32 | sing | 1.33Å | 1.40Å | Aromatic |
| N32 | C31 | doub | 1.29Å | 1.26Å | Aromatic |
| S35 | C31 | sing | 1.76Å | 1.80Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.50Å | |
| C31 | N16 | sing | 1.39Å | 1.40Å | |
| C11 | N16 | sing | 1.36Å | 1.36Å | Aromatic |
| C11 | C10 | doub | 1.35Å | 1.36Å | Aromatic |
| N16 | N17 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.51Å | 1.51Å | |
| C10 | C18 | sing | 1.41Å | 1.44Å | Aromatic |
| N17 | C18 | doub | 1.32Å | 1.32Å | Aromatic |
| C09 | C08 | sing | 1.51Å | 1.52Å | |
| C18 | C19 | sing | 1.48Å | 1.48Å | |
| C08 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C40 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C25 | sing | 1.48Å | 1.49Å | |
| C06 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | S02 | sing | 1.76Å | 1.80Å | |
| C30 | C25 | doub | 1.39Å | 1.38Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.38Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| N01 | S02 | sing | 1.66Å | 1.68Å | |
| S02 | O04 | doub | 1.42Å | 1.56Å | |
| S02 | O03 | doub | 1.42Å | 1.56Å | |
| C28 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | H1 | sing | 1.08Å | 1.08Å | |
| C22 | H2 | sing | 1.08Å | 1.08Å | |
| C23 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.08Å | 1.08Å | |
| C07 | H12 | sing | 1.08Å | 1.08Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.08Å | 1.08Å | |
| C26 | H16 | sing | 1.08Å | 1.08Å | |
| C27 | H17 | sing | 1.08Å | 1.08Å | |
| C28 | H18 | sing | 1.08Å | 1.08Å | |
| C29 | H19 | sing | 1.08Å | 1.08Å | |
| C30 | H20 | sing | 1.08Å | 1.08Å | |
| C34 | H21 | sing | 1.08Å | 1.08Å | |
| C39 | H22 | sing | 1.08Å | 1.08Å | |
| C40 | H23 | sing | 1.08Å | 1.08Å | |
| N01 | H24 | sing | 0.97Å | 1.00Å | |
| N01 | H25 | sing | 0.97Å | 1.00Å | |
| O37 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O38 | C36 | O37 | 131.2° | 120.0° |
| O38 | C36 | C33 | 114.0° | 119.9° |
| C15 | C14 | C13 | 59.6° | 60.0° |
| C14 | C15 | C13 | 60.2° | 60.0° |
| C14 | C15 | H7 | 120.0° | 117.5° |
| C14 | C15 | H8 | 120.0° | 117.5° |
| C15 | C14 | H9 | 120.1° | 117.4° |
| C15 | C14 | H10 | 120.1° | 117.5° |
| C14 | C13 | C15 | 60.2° | 60.1° |
| C14 | C13 | C12 | 117.9° | 117.5° |
| C14 | C13 | H6 | 115.8° | 117.5° |
| C13 | C14 | H9 | 120.1° | 117.5° |
| C13 | C14 | H10 | 120.1° | 117.5° |
| C15 | C13 | C12 | 119.9° | 117.5° |
| C15 | C13 | H6 | 115.9° | 117.4° |
| C13 | C15 | H7 | 120.0° | 117.5° |
| C13 | C15 | H8 | 120.0° | 117.6° |
| O37 | C36 | C33 | 114.7° | 120.0° |
| C36 | O37 | H26 | 109.5° | 117.0° |
| C36 | C33 | C34 | 125.1° | 122.6° |
| C36 | C33 | N32 | 119.9° | 122.5° |
| C13 | C12 | C11 | 111.6° | 109.5° |
| C13 | C12 | H4 | 109.0° | 109.5° |
| C13 | C12 | H5 | 109.0° | 109.5° |
| C12 | C13 | H6 | 115.7° | 115.5° |
| C33 | C34 | S35 | 109.5° | 109.2° |
| C34 | C33 | N32 | 115.0° | 115.0° |
| C33 | C34 | H21 | 125.2° | 125.4° |
| C34 | S35 | C31 | 87.4° | 90.7° |
| S35 | C34 | H21 | 125.2° | 125.5° |
| C33 | N32 | C31 | 115.1° | 115.7° |
| N32 | C31 | S35 | 112.9° | 109.5° |
| N32 | C31 | N16 | 125.0° | 125.3° |
| S35 | C31 | N16 | 121.8° | 125.2° |
| C12 | C11 | N16 | 128.1° | 126.1° |
| C12 | C11 | C10 | 124.3° | 126.0° |
| C11 | C12 | H4 | 108.9° | 109.4° |
| C11 | C12 | H5 | 108.9° | 109.5° |
| C31 | N16 | C11 | 126.6° | 126.0° |
| C31 | N16 | N17 | 122.2° | 126.0° |
| N16 | C11 | C10 | 107.7° | 107.9° |
| C11 | N16 | N17 | 110.9° | 108.0° |
| C11 | C10 | C09 | 121.6° | 126.1° |
| C11 | C10 | C18 | 105.2° | 107.9° |
| N16 | N17 | C18 | 105.2° | 108.2° |
| C09 | C10 | C18 | 133.1° | 126.0° |
| C10 | C09 | C08 | 113.2° | 109.5° |
| C10 | C09 | H13 | 108.5° | 109.5° |
| C10 | C09 | H14 | 108.5° | 109.5° |
| C10 | C18 | N17 | 110.9° | 108.1° |
| C10 | C18 | C19 | 131.5° | 125.9° |
| N17 | C18 | C19 | 117.6° | 126.0° |
| C09 | C08 | C39 | 120.4° | 120.0° |
| C09 | C08 | C07 | 120.1° | 120.0° |
| C08 | C09 | H13 | 108.5° | 109.5° |
| C08 | C09 | H14 | 108.5° | 109.5° |
| C18 | C19 | C24 | 120.2° | 120.1° |
| C18 | C19 | C20 | 120.8° | 120.0° |
| C39 | C08 | C07 | 119.5° | 120.0° |
| C08 | C39 | C40 | 120.1° | 120.0° |
| C08 | C39 | H22 | 119.9° | 120.0° |
| C08 | C07 | C06 | 120.5° | 120.0° |
| C08 | C07 | H12 | 119.8° | 120.0° |
| C24 | C19 | C20 | 119.0° | 119.9° |
| C19 | C24 | C23 | 120.3° | 120.1° |
| C19 | C24 | H15 | 119.9° | 119.9° |
| C19 | C20 | C21 | 121.2° | 119.7° |
| C19 | C20 | H1 | 119.4° | 120.1° |
| C24 | C23 | C22 | 120.4° | 120.2° |
| C24 | C23 | H3 | 119.8° | 119.9° |
| C23 | C24 | H15 | 119.9° | 120.0° |
| C39 | C40 | C05 | 119.0° | 120.0° |
| C40 | C39 | H22 | 119.9° | 120.0° |
| C39 | C40 | H23 | 120.5° | 120.1° |
| C07 | C06 | C05 | 118.7° | 120.0° |
| C07 | C06 | H11 | 120.6° | 120.0° |
| C06 | C07 | H12 | 119.7° | 119.9° |
| C20 | C21 | C22 | 119.3° | 119.9° |
| C20 | C21 | C25 | 119.2° | 120.1° |
| C21 | C20 | H1 | 119.4° | 120.1° |
| C23 | C22 | C21 | 119.9° | 120.1° |
| C23 | C22 | H2 | 120.0° | 119.9° |
| C22 | C23 | H3 | 119.8° | 119.9° |
| C40 | C05 | C06 | 122.1° | 120.0° |
| C40 | C05 | S02 | 118.6° | 120.0° |
| C05 | C40 | H23 | 120.5° | 119.9° |
| C22 | C21 | C25 | 121.5° | 120.0° |
| C21 | C22 | H2 | 120.1° | 120.0° |
| C21 | C25 | C30 | 120.3° | 120.1° |
| C21 | C25 | C26 | 121.2° | 120.1° |
| C06 | C05 | S02 | 119.2° | 120.0° |
| C05 | C06 | H11 | 120.6° | 120.0° |
| C05 | S02 | N01 | 105.2° | 107.2° |
| C05 | S02 | O04 | 107.8° | 106.4° |
| C05 | S02 | O03 | 107.2° | 106.4° |
| C25 | C30 | C29 | 121.3° | 119.9° |
| C30 | C25 | C26 | 118.5° | 119.7° |
| C25 | C30 | H20 | 119.3° | 120.1° |
| C30 | C29 | C28 | 120.1° | 120.2° |
| C30 | C29 | H19 | 119.9° | 119.9° |
| C29 | C30 | H20 | 119.4° | 120.1° |
| C25 | C26 | C27 | 119.9° | 119.9° |
| C25 | C26 | H16 | 120.1° | 120.0° |
| C29 | C28 | C27 | 118.6° | 120.2° |
| C29 | C28 | H18 | 120.7° | 119.9° |
| C28 | C29 | H19 | 119.9° | 119.9° |
| C26 | C27 | C28 | 121.6° | 120.1° |
| C27 | C26 | H16 | 120.0° | 120.1° |
| C26 | C27 | H17 | 119.2° | 119.9° |
| N01 | S02 | O04 | 106.0° | 106.4° |
| N01 | S02 | O03 | 114.5° | 106.5° |
| S02 | N01 | H24 | 109.5° | 120.0° |
| S02 | N01 | H25 | 109.5° | 120.0° |
| O04 | S02 | O03 | 115.6° | 123.1° |
| C28 | C27 | H17 | 119.2° | 120.0° |
| C27 | C28 | H18 | 120.7° | 119.9° |
| H4 | C12 | H5 | 109.5° | 109.4° |
| H7 | C15 | H8 | 109.5° | 115.5° |
| H9 | C14 | H10 | 109.4° | 115.6° |
| H13 | C09 | H14 | 109.5° | 109.4° |
| H24 | N01 | H25 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O38 | C36 | O37 | C33 | 176.0° | 180.0° |
| O38 | C36 | C33 | C34 | 5.1° | 0.2° |
| O38 | C36 | C33 | N32 | 173.6° | 180.0° |
| O38 | C36 | O37 | H26 | 0.0° | 0.0° |
| C15 | C14 | C13 | H9 | 109.4° | 107.4° |
| C15 | C14 | C13 | H10 | 109.4° | 107.5° |
| C14 | C15 | C13 | H7 | 109.5° | 107.4° |
| C14 | C15 | C13 | H8 | 109.5° | 107.4° |
| C15 | C14 | C13 | C12 | 110.3° | 107.5° |
| C15 | C14 | C13 | H6 | 106.4° | 107.5° |
| C14 | C15 | H7 | H8 | 144.6° | 145.6° |
| C15 | C14 | H9 | H10 | 144.9° | 145.7° |
| C14 | C13 | C12 | H6 | 143.2° | 145.7° |
| C14 | C13 | C12 | C11 | 152.4° | 119.8° |
| C14 | C13 | C12 | H4 | 32.1° | 120.2° |
| C14 | C13 | C12 | H5 | 87.3° | 0.2° |
| C13 | C14 | H9 | H10 | 144.9° | 145.8° |
| C15 | C13 | C12 | H6 | 146.9° | 145.6° |
| C15 | C13 | C12 | C11 | 82.5° | 171.5° |
| C15 | C13 | C12 | H4 | 37.8° | 51.5° |
| C15 | C13 | C12 | H5 | 157.2° | 68.5° |
| C13 | C15 | H7 | H8 | 144.7° | 145.8° |
| O37 | C36 | C33 | C34 | 178.2° | 179.9° |
| O37 | C36 | C33 | N32 | 3.1° | 0.0° |
| C36 | C33 | C34 | N32 | 178.8° | 179.9° |
| C36 | C33 | C34 | S35 | 178.0° | 179.8° |
| C36 | C33 | N32 | C31 | 179.7° | 180.0° |
| C36 | C33 | C34 | H21 | 2.0° | 0.1° |
| C33 | C36 | O37 | H26 | 176.0° | 180.0° |
| C13 | C12 | C11 | H4 | 120.3° | 120.0° |
| C13 | C12 | C11 | H5 | 120.3° | 120.0° |
| C13 | C12 | C11 | N16 | 93.6° | 82.7° |
| C13 | C12 | C11 | C10 | 88.1° | 97.2° |
| C13 | C12 | H4 | H5 | 119.1° | 120.0° |
| C12 | C13 | C15 | H7 | 143.5° | 0.1° |
| C12 | C13 | C15 | H8 | 2.5° | 145.0° |
| C12 | C13 | C14 | H9 | 1.0° | 145.0° |
| C12 | C13 | C14 | H10 | 140.3° | 0.1° |
| C33 | C34 | S35 | H21 | 180.0° | 179.9° |
| C34 | C33 | N32 | C31 | 0.8° | 0.2° |
| C33 | C34 | S35 | C31 | 1.5° | 0.2° |
| S35 | C34 | C33 | N32 | 0.8° | 0.1° |
| C34 | S35 | C31 | N32 | 2.1° | 0.3° |
| C34 | S35 | C31 | N16 | 175.5° | 179.9° |
| C33 | N32 | C31 | S35 | 2.1° | 0.3° |
| C33 | N32 | C31 | N16 | 175.3° | 179.9° |
| N32 | C33 | C34 | H21 | 179.2° | 180.0° |
| N32 | C31 | S35 | N16 | 173.5° | 179.6° |
| N32 | C31 | N16 | C11 | 24.5° | 180.0° |
| N32 | C31 | N16 | N17 | 161.8° | 0.5° |
| S35 | C31 | N16 | C11 | 148.1° | 0.4° |
| S35 | C31 | N16 | N17 | 25.6° | 180.0° |
| C31 | S35 | C34 | H21 | 178.5° | 179.9° |
| C12 | C11 | N16 | C31 | 5.0° | 0.2° |
| C12 | C11 | N16 | C10 | 178.5° | 179.9° |
| C12 | C11 | N16 | N17 | 179.3° | 179.8° |
| C12 | C11 | C10 | C09 | 0.1° | 0.1° |
| C12 | C11 | C10 | C18 | 179.7° | 179.9° |
| C11 | C12 | H4 | H5 | 119.0° | 120.0° |
| C11 | C12 | C13 | H6 | 64.3° | 25.9° |
| C31 | N16 | C11 | N17 | 174.3° | 179.6° |
| C31 | N16 | C11 | C10 | 176.5° | 179.9° |
| C31 | N16 | N17 | C18 | 177.0° | 179.9° |
| N16 | C11 | C10 | C09 | 178.6° | 180.0° |
| N16 | C11 | C10 | C18 | 1.1° | 0.0° |
| C11 | N16 | N17 | C18 | 2.4° | 0.5° |
| N16 | C11 | C12 | H4 | 26.7° | 37.3° |
| N16 | C11 | C12 | H5 | 146.0° | 157.2° |
| C10 | C11 | N16 | N17 | 2.3° | 0.3° |
| C11 | C10 | C09 | C18 | 179.7° | 179.9° |
| C11 | C10 | C18 | N17 | 0.3° | 0.3° |
| C11 | C10 | C09 | C08 | 109.5° | 93.9° |
| C11 | C10 | C18 | C19 | 179.3° | 180.0° |
| C10 | C11 | C12 | H4 | 151.6° | 142.8° |
| C10 | C11 | C12 | H5 | 32.2° | 22.9° |
| C11 | C10 | C09 | H13 | 11.1° | 26.2° |
| C11 | C10 | C09 | H14 | 130.0° | 146.1° |
| N16 | N17 | C18 | C10 | 1.6° | 0.5° |
| N16 | N17 | C18 | C19 | 179.2° | 179.9° |
| C09 | C10 | C18 | N17 | 179.9° | 179.7° |
| C10 | C09 | C08 | H13 | 120.5° | 120.0° |
| C10 | C09 | C08 | H14 | 120.6° | 120.0° |
| C09 | C10 | C18 | C19 | 1.0° | 0.1° |
| C10 | C09 | C08 | C39 | 160.6° | 79.4° |
| C10 | C09 | C08 | C07 | 18.8° | 100.4° |
| C10 | C09 | H13 | H14 | 118.3° | 119.9° |
| C10 | C18 | N17 | C19 | 179.1° | 179.6° |
| C18 | C10 | C09 | C08 | 70.2° | 86.0° |
| C10 | C18 | C19 | C24 | 162.5° | 43.9° |
| C10 | C18 | C19 | C20 | 16.8° | 136.1° |
| C18 | C10 | C09 | H13 | 169.2° | 153.9° |
| C18 | C10 | C09 | H14 | 50.3° | 34.0° |
| N17 | C18 | C19 | C24 | 16.3° | 135.7° |
| N17 | C18 | C19 | C20 | 164.3° | 44.4° |
| C09 | C08 | C39 | C07 | 179.4° | 179.8° |
| C09 | C08 | C39 | C40 | 178.9° | 180.0° |
| C09 | C08 | C07 | C06 | 179.3° | 179.7° |
| C09 | C08 | C07 | H12 | 0.7° | 0.2° |
| C08 | C09 | H13 | H14 | 118.3° | 120.0° |
| C09 | C08 | C39 | H22 | 1.1° | 0.2° |
| C18 | C19 | C24 | C20 | 179.4° | 180.0° |
| C18 | C19 | C24 | C23 | 179.6° | 179.8° |
| C18 | C19 | C20 | C21 | 179.7° | 180.0° |
| C18 | C19 | C20 | H1 | 0.3° | 0.1° |
| C18 | C19 | C24 | H15 | 0.4° | 0.0° |
| C08 | C39 | C40 | H22 | 180.0° | 179.8° |
| C39 | C08 | C07 | C06 | 0.1° | 0.1° |
| C08 | C39 | C40 | C05 | 1.3° | 0.5° |
| C39 | C08 | C07 | H12 | 179.9° | 180.0° |
| C39 | C08 | C09 | H13 | 78.9° | 160.6° |
| C39 | C08 | C09 | H14 | 40.0° | 40.6° |
| C08 | C39 | C40 | H23 | 178.7° | 180.0° |
| C07 | C08 | C39 | C40 | 0.5° | 0.2° |
| C08 | C07 | C06 | H12 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 0.6° | 0.1° |
| C08 | C07 | C06 | H11 | 179.4° | 180.0° |
| C07 | C08 | C09 | H13 | 101.7° | 19.6° |
| C07 | C08 | C09 | H14 | 139.4° | 139.6° |
| C07 | C08 | C39 | H22 | 179.5° | 180.0° |
| C19 | C24 | C23 | H15 | 180.0° | 179.8° |
| C24 | C19 | C20 | C21 | 0.3° | 0.0° |
| C19 | C24 | C23 | C22 | 0.4° | 0.5° |
| C24 | C19 | C20 | H1 | 179.7° | 180.0° |
| C19 | C24 | C23 | H3 | 179.6° | 180.0° |
| C20 | C19 | C24 | C23 | 0.2° | 0.2° |
| C19 | C20 | C21 | H1 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C19 | C20 | C21 | C25 | 179.2° | 179.7° |
| C20 | C19 | C24 | H15 | 179.8° | 180.0° |
| C24 | C23 | C22 | H3 | 180.0° | 179.5° |
| C24 | C23 | C22 | C21 | 0.9° | 0.5° |
| C24 | C23 | C22 | H2 | 179.1° | 179.5° |
| C39 | C40 | C05 | H23 | 180.0° | 179.5° |
| C39 | C40 | C05 | C06 | 1.8° | 0.5° |
| C39 | C40 | C05 | S02 | 179.1° | 179.8° |
| C07 | C06 | C05 | C40 | 1.4° | 0.2° |
| C07 | C06 | C05 | H11 | 180.0° | 179.9° |
| C07 | C06 | C05 | S02 | 178.7° | 180.0° |
| C20 | C21 | C22 | C23 | 0.7° | 0.3° |
| C20 | C21 | C22 | C25 | 179.0° | 179.7° |
| C20 | C21 | C25 | C30 | 1.2° | 0.0° |
| C20 | C21 | C25 | C26 | 177.4° | 179.7° |
| C20 | C21 | C22 | H2 | 179.2° | 179.7° |
| C23 | C22 | C21 | H2 | 180.0° | 180.0° |
| C23 | C22 | C21 | C25 | 179.8° | 180.0° |
| C22 | C23 | C24 | H15 | 179.6° | 179.7° |
| C40 | C05 | C06 | S02 | 177.3° | 179.8° |
| C40 | C05 | S02 | N01 | 80.7° | 90.3° |
| C40 | C05 | S02 | O04 | 32.0° | 156.2° |
| C40 | C05 | S02 | O03 | 157.1° | 23.3° |
| C40 | C05 | C06 | H11 | 178.6° | 179.7° |
| C05 | C40 | C39 | H22 | 178.7° | 179.7° |
| C22 | C21 | C25 | C30 | 179.8° | 179.7° |
| C22 | C21 | C25 | C26 | 1.7° | 0.0° |
| C22 | C21 | C20 | H1 | 179.8° | 180.0° |
| C21 | C22 | C23 | H3 | 179.1° | 180.0° |
| C21 | C25 | C30 | C26 | 178.6° | 179.7° |
| C21 | C25 | C30 | C29 | 179.3° | 179.7° |
| C21 | C25 | C26 | C27 | 179.8° | 180.0° |
| C25 | C21 | C20 | H1 | 0.8° | 0.3° |
| C25 | C21 | C22 | H2 | 0.2° | 0.0° |
| C21 | C25 | C26 | H16 | 0.2° | 0.0° |
| C21 | C25 | C30 | H20 | 0.7° | 0.0° |
| C06 | C05 | S02 | N01 | 101.9° | 89.9° |
| C06 | C05 | S02 | O04 | 145.4° | 23.5° |
| C06 | C05 | S02 | O03 | 20.3° | 156.4° |
| C05 | C06 | C07 | H12 | 179.5° | 180.0° |
| C06 | C05 | C40 | H23 | 178.2° | 180.0° |
| C05 | S02 | N01 | O04 | 114.0° | 113.5° |
| C05 | S02 | N01 | O03 | 117.4° | 113.6° |
| C05 | S02 | O04 | O03 | 119.9° | 123.0° |
| S02 | C05 | C06 | H11 | 1.3° | 0.0° |
| S02 | C05 | C40 | H23 | 0.9° | 0.3° |
| C05 | S02 | N01 | H24 | 180.0° | 0.1° |
| C05 | S02 | N01 | H25 | 60.0° | 180.0° |
| C25 | C30 | C29 | H20 | 180.0° | 179.7° |
| C25 | C30 | C29 | C28 | 0.3° | 0.6° |
| C30 | C25 | C26 | C27 | 1.2° | 0.3° |
| C30 | C25 | C26 | H16 | 178.8° | 179.7° |
| C25 | C30 | C29 | H19 | 179.7° | 179.6° |
| C29 | C30 | C25 | C26 | 0.7° | 0.6° |
| C30 | C29 | C28 | H19 | 180.0° | 179.8° |
| C30 | C29 | C28 | C27 | 0.4° | 0.3° |
| C30 | C29 | C28 | H18 | 179.6° | 179.7° |
| C25 | C26 | C27 | H16 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 1.3° | 0.0° |
| C25 | C26 | C27 | H17 | 178.7° | 180.0° |
| C26 | C25 | C30 | H20 | 179.3° | 179.8° |
| C29 | C28 | C27 | C26 | 0.9° | 0.0° |
| C29 | C28 | C27 | H18 | 180.0° | 180.0° |
| C29 | C28 | C27 | H17 | 179.1° | 180.0° |
| C28 | C29 | C30 | H20 | 179.7° | 179.8° |
| C26 | C27 | C28 | H17 | 180.0° | 180.0° |
| C26 | C27 | C28 | H18 | 179.1° | 179.9° |
| N01 | S02 | O04 | O03 | 127.9° | 123.0° |
| S02 | N01 | H24 | H25 | 120.0° | 179.9° |
| O04 | S02 | N01 | H24 | 66.0° | 113.6° |
| O04 | S02 | N01 | H25 | 174.0° | 66.5° |
| O03 | S02 | N01 | H24 | 62.6° | 113.5° |
| O03 | S02 | N01 | H25 | 57.4° | 66.4° |
| C28 | C27 | C26 | H16 | 178.7° | 180.0° |
| C27 | C28 | C29 | H19 | 179.6° | 179.9° |
| H2 | C22 | C23 | H3 | 0.9° | 0.0° |
| H3 | C23 | C24 | H15 | 0.4° | 0.2° |
| H4 | C12 | C13 | H6 | 175.4° | 94.1° |
| H5 | C12 | C13 | H6 | 56.0° | 145.9° |
| H6 | C13 | C15 | H7 | 3.3° | 145.0° |
| H6 | C13 | C15 | H8 | 144.3° | 0.1° |
| H6 | C13 | C14 | H9 | 144.2° | 0.0° |
| H6 | C13 | C14 | H10 | 2.9° | 145.1° |
| H7 | C15 | C14 | H9 | 141.1° | 145.0° |
| H7 | C15 | C14 | H10 | 0.1° | 0.0° |
| H8 | C15 | C14 | H9 | 0.1° | 0.1° |
| H8 | C15 | C14 | H10 | 141.1° | 145.0° |
| H11 | C06 | C07 | H12 | 0.5° | 0.1° |
| H16 | C26 | C27 | H17 | 1.3° | 0.0° |
| H17 | C27 | C28 | H18 | 0.9° | 0.1° |
| H18 | C28 | C29 | H19 | 0.4° | 0.0° |
| H19 | C29 | C30 | H20 | 0.3° | 0.0° |
| H22 | C39 | C40 | H23 | 1.3° | 0.2° |
