RCH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C4 | C2 | sing | 1.53Å | 1.55Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | N5 | sing | 1.47Å | 1.49Å | |
| N5 | C6 | sing | 1.35Å | 1.37Å | |
| C6 | O7 | doub | 1.21Å | 1.22Å | |
| C6 | C8 | sing | 1.48Å | 1.50Å | |
| C14 | C8 | doub | 1.40Å | 1.41Å | Aromatic |
| C14 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.50Å | |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | N11 | doub | 1.32Å | 1.32Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| N11 | C10 | sing | 1.33Å | 1.33Å | Aromatic |
| C10 | C15 | sing | 1.43Å | 1.42Å | |
| C15 | C16 | trip | 1.17Å | 1.16Å | |
| C16 | C17 | sing | 1.43Å | 1.42Å | |
| C17 | C25 | doub | 1.40Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.37Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.37Å | Aromatic |
| C24 | C23 | doub | 1.39Å | 1.41Å | Aromatic |
| C19 | C23 | sing | 1.42Å | 1.41Å | Aromatic |
| C19 | O20 | sing | 1.34Å | 1.32Å | Aromatic |
| C23 | C22 | sing | 1.45Å | 1.46Å | Aromatic |
| O20 | C21 | sing | 1.34Å | 1.32Å | Aromatic |
| C22 | C21 | doub | 1.37Å | 1.38Å | Aromatic |
| C22 | C26 | sing | 1.47Å | 1.47Å | |
| C21 | C39 | sing | 1.50Å | 1.50Å | |
| C40 | C39 | sing | 1.53Å | 1.54Å | |
| O27 | C26 | doub | 1.22Å | 1.22Å | |
| C26 | C28 | sing | 1.48Å | 1.50Å | |
| C39 | C41 | sing | 1.53Å | 1.53Å | |
| C39 | C38 | sing | 1.50Å | 1.51Å | |
| C28 | C38 | doub | 1.40Å | 1.41Å | Aromatic |
| C28 | C29 | sing | 1.40Å | 1.40Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | doub | 1.37Å | 1.37Å | Aromatic |
| C37 | C31 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.40Å | Aromatic |
| C31 | N32 | sing | 1.39Å | 1.40Å | |
| N32 | S33 | sing | 1.66Å | 1.66Å | |
| C34 | S33 | sing | 1.81Å | 1.81Å | |
| S33 | O36 | doub | 1.42Å | 1.42Å | |
| S33 | O35 | doub | 1.42Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C24 | H11 | sing | 1.08Å | 1.08Å | |
| C30 | H12 | sing | 1.08Å | 1.08Å | |
| C34 | H13 | sing | 1.09Å | 1.10Å | |
| C34 | H14 | sing | 1.09Å | 1.10Å | |
| C34 | H15 | sing | 1.09Å | 1.10Å | |
| C37 | H16 | sing | 1.08Å | 1.08Å | |
| C40 | H17 | sing | 1.09Å | 1.10Å | |
| C40 | H18 | sing | 1.09Å | 1.10Å | |
| C40 | H19 | sing | 1.09Å | 1.10Å | |
| N5 | H20 | sing | 0.97Å | 1.00Å | |
| C9 | H21 | sing | 1.08Å | 1.08Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.08Å | 1.08Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H27 | sing | 1.08Å | 1.08Å | |
| N32 | H28 | sing | 0.97Å | 1.00Å | |
| C41 | H29 | sing | 1.09Å | 1.10Å | |
| C41 | H30 | sing | 1.09Å | 1.10Å | |
| C41 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C4 | 109.4° | 109.5° |
| C1 | C2 | C3 | 109.5° | 109.5° |
| C1 | C2 | N5 | 107.9° | 109.4° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C4 | C2 | C3 | 110.4° | 109.5° |
| C4 | C2 | N5 | 111.7° | 109.5° |
| C2 | C4 | H7 | 109.5° | 109.5° |
| C2 | C4 | H8 | 109.4° | 109.5° |
| C2 | C4 | H9 | 109.5° | 109.5° |
| C3 | C2 | N5 | 107.9° | 109.5° |
| C2 | C3 | H4 | 109.5° | 109.5° |
| C2 | C3 | H5 | 109.4° | 109.4° |
| C2 | C3 | H6 | 109.4° | 109.4° |
| C2 | N5 | C6 | 125.4° | 120.0° |
| C2 | N5 | H20 | 117.3° | 120.0° |
| N5 | C6 | O7 | 121.2° | 120.0° |
| N5 | C6 | C8 | 119.3° | 120.0° |
| C6 | N5 | H20 | 117.3° | 120.0° |
| O7 | C6 | C8 | 119.5° | 120.0° |
| C6 | C8 | C14 | 124.6° | 120.8° |
| C6 | C8 | C9 | 119.2° | 120.9° |
| C8 | C14 | C12 | 119.8° | 119.3° |
| C14 | C8 | C9 | 116.2° | 118.3° |
| C8 | C14 | H25 | 120.1° | 120.4° |
| C14 | C12 | C13 | 119.4° | 119.5° |
| C14 | C12 | N11 | 122.2° | 121.1° |
| C12 | C14 | H25 | 120.1° | 120.3° |
| C13 | C12 | N11 | 118.4° | 119.4° |
| C12 | C13 | H22 | 109.5° | 109.5° |
| C12 | C13 | H23 | 109.5° | 109.4° |
| C12 | C13 | H24 | 109.5° | 109.5° |
| C8 | C9 | C10 | 120.6° | 118.8° |
| C8 | C9 | H21 | 119.7° | 120.5° |
| C12 | N11 | C10 | 120.1° | 121.9° |
| C9 | C10 | N11 | 121.2° | 120.6° |
| C9 | C10 | C15 | 114.7° | 119.7° |
| C10 | C9 | H21 | 119.7° | 120.6° |
| N11 | C10 | C15 | 124.1° | 119.7° |
| C10 | C15 | C16 | 179.5° | 180.0° |
| C15 | C16 | C17 | 179.3° | 180.0° |
| C16 | C17 | C25 | 127.5° | 119.1° |
| C16 | C17 | C18 | 111.1° | 119.1° |
| C25 | C17 | C18 | 121.4° | 121.8° |
| C17 | C25 | C24 | 121.0° | 121.7° |
| C17 | C25 | H26 | 119.5° | 119.1° |
| C17 | C18 | C19 | 117.9° | 116.9° |
| C17 | C18 | H10 | 121.1° | 121.5° |
| C25 | C24 | C23 | 118.0° | 117.2° |
| C25 | C24 | H11 | 121.0° | 121.4° |
| C24 | C25 | H26 | 119.5° | 119.2° |
| C18 | C19 | C23 | 121.7° | 120.6° |
| C18 | C19 | O20 | 129.4° | 131.5° |
| C19 | C18 | H10 | 121.0° | 121.5° |
| C24 | C23 | C19 | 120.0° | 121.7° |
| C24 | C23 | C22 | 136.4° | 133.3° |
| C23 | C24 | H11 | 121.0° | 121.4° |
| C23 | C19 | O20 | 108.9° | 107.9° |
| C19 | C23 | C22 | 103.6° | 105.0° |
| C19 | O20 | C21 | 112.2° | 111.4° |
| C23 | C22 | C21 | 106.7° | 106.7° |
| C23 | C22 | C26 | 132.6° | 131.5° |
| O20 | C21 | C22 | 108.6° | 109.0° |
| O20 | C21 | C39 | 124.7° | 127.6° |
| C21 | C22 | C26 | 120.5° | 121.8° |
| C22 | C21 | C39 | 126.6° | 123.4° |
| C22 | C26 | O27 | 120.8° | 122.1° |
| C22 | C26 | C28 | 116.1° | 115.8° |
| C21 | C39 | C40 | 105.0° | 109.0° |
| C21 | C39 | C41 | 109.8° | 109.0° |
| C21 | C39 | C38 | 111.5° | 112.0° |
| C40 | C39 | C41 | 108.7° | 108.9° |
| C40 | C39 | C38 | 108.7° | 108.9° |
| C39 | C40 | H17 | 109.5° | 109.5° |
| C39 | C40 | H18 | 109.5° | 109.5° |
| C39 | C40 | H19 | 109.4° | 109.5° |
| O27 | C26 | C28 | 123.1° | 122.1° |
| C26 | C28 | C38 | 122.0° | 120.5° |
| C26 | C28 | C29 | 119.1° | 119.0° |
| C41 | C39 | C38 | 112.7° | 109.0° |
| C39 | C41 | H29 | 109.5° | 109.5° |
| C39 | C41 | H30 | 109.5° | 109.5° |
| C39 | C41 | H31 | 109.5° | 109.5° |
| C39 | C38 | C28 | 123.0° | 123.3° |
| C39 | C38 | C37 | 118.3° | 117.9° |
| C38 | C28 | C29 | 118.8° | 120.6° |
| C28 | C38 | C37 | 118.7° | 118.8° |
| C28 | C29 | C30 | 121.6° | 120.1° |
| C28 | C29 | H27 | 119.2° | 120.0° |
| C38 | C37 | C31 | 122.2° | 120.4° |
| C38 | C37 | H16 | 118.9° | 119.8° |
| C29 | C30 | C31 | 120.3° | 119.8° |
| C29 | C30 | H12 | 119.9° | 120.1° |
| C30 | C29 | H27 | 119.2° | 119.9° |
| C37 | C31 | C30 | 118.4° | 120.3° |
| C37 | C31 | N32 | 116.2° | 119.8° |
| C31 | C37 | H16 | 118.9° | 119.8° |
| C30 | C31 | N32 | 125.5° | 119.8° |
| C31 | C30 | H12 | 119.9° | 120.1° |
| C31 | N32 | S33 | 126.3° | 120.0° |
| C31 | N32 | H28 | 105.1° | 120.0° |
| N32 | S33 | C34 | 105.0° | 104.5° |
| N32 | S33 | O36 | 107.0° | 104.3° |
| N32 | S33 | O35 | 102.2° | 104.2° |
| S33 | N32 | H28 | 105.1° | 120.0° |
| C34 | S33 | O36 | 111.4° | 110.5° |
| C34 | S33 | O35 | 110.6° | 110.6° |
| S33 | C34 | H13 | 109.5° | 109.5° |
| S33 | C34 | H14 | 109.4° | 109.5° |
| S33 | C34 | H15 | 109.5° | 109.5° |
| O36 | S33 | O35 | 119.2° | 121.0° |
| H1 | C1 | H2 | 109.4° | 109.6° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H4 | C3 | H6 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.4° |
| H7 | C4 | H9 | 109.5° | 109.5° |
| H8 | C4 | H9 | 109.5° | 109.5° |
| H13 | C34 | H14 | 109.5° | 109.5° |
| H13 | C34 | H15 | 109.5° | 109.4° |
| H14 | C34 | H15 | 109.5° | 109.5° |
| H17 | C40 | H18 | 109.5° | 109.5° |
| H17 | C40 | H19 | 109.5° | 109.5° |
| H18 | C40 | H19 | 109.5° | 109.4° |
| H22 | C13 | H23 | 109.5° | 109.5° |
| H22 | C13 | H24 | 109.4° | 109.5° |
| H23 | C13 | H24 | 109.5° | 109.5° |
| H29 | C41 | H30 | 109.5° | 109.4° |
| H29 | C41 | H31 | 109.5° | 109.5° |
| H30 | C41 | H31 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C4 | C3 | 120.5° | 120.0° |
| C1 | C2 | C4 | N5 | 119.4° | 120.0° |
| C1 | C2 | C3 | N5 | 117.2° | 120.0° |
| C1 | C2 | N5 | C6 | 177.0° | 60.1° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 119.9° |
| C2 | C1 | H2 | H3 | 120.0° | 119.9° |
| C1 | C2 | C3 | H4 | 180.0° | 60.0° |
| C1 | C2 | C3 | H5 | 60.0° | 179.9° |
| C1 | C2 | C3 | H6 | 60.0° | 60.0° |
| C1 | C2 | C4 | H7 | 180.0° | 60.0° |
| C1 | C2 | C4 | H8 | 60.0° | 180.0° |
| C1 | C2 | C4 | H9 | 60.0° | 60.0° |
| C1 | C2 | N5 | H20 | 3.0° | 120.0° |
| C4 | C2 | C3 | N5 | 122.3° | 120.0° |
| C4 | C2 | N5 | C6 | 56.7° | 180.0° |
| C4 | C2 | C1 | H1 | 180.0° | 180.0° |
| C4 | C2 | C1 | H2 | 60.0° | 60.0° |
| C4 | C2 | C1 | H3 | 60.0° | 60.0° |
| C4 | C2 | C3 | H4 | 59.5° | 60.0° |
| C4 | C2 | C3 | H5 | 60.5° | 60.1° |
| C4 | C2 | C3 | H6 | 179.5° | 180.0° |
| C2 | C4 | H7 | H8 | 120.0° | 120.0° |
| C2 | C4 | H7 | H9 | 120.0° | 120.0° |
| C2 | C4 | H8 | H9 | 120.0° | 120.0° |
| C4 | C2 | N5 | H20 | 123.3° | 0.1° |
| C3 | C2 | N5 | C6 | 64.8° | 59.9° |
| C3 | C2 | C1 | H1 | 58.9° | 60.0° |
| C3 | C2 | C1 | H2 | 61.1° | 179.9° |
| C3 | C2 | C1 | H3 | 178.9° | 60.0° |
| C2 | C3 | H4 | H5 | 120.0° | 120.0° |
| C2 | C3 | H4 | H6 | 120.0° | 120.0° |
| C2 | C3 | H5 | H6 | 119.9° | 119.9° |
| C3 | C2 | C4 | H7 | 59.5° | 180.0° |
| C3 | C2 | C4 | H8 | 179.5° | 60.0° |
| C3 | C2 | C4 | H9 | 60.5° | 59.9° |
| C3 | C2 | N5 | H20 | 115.2° | 119.9° |
| C2 | N5 | C6 | H20 | 180.0° | 179.9° |
| C2 | N5 | C6 | O7 | 0.1° | 0.1° |
| C2 | N5 | C6 | C8 | 178.4° | 180.0° |
| N5 | C2 | C1 | H1 | 58.3° | 60.1° |
| N5 | C2 | C1 | H2 | 178.3° | 60.0° |
| N5 | C2 | C1 | H3 | 61.7° | 180.0° |
| N5 | C2 | C3 | H4 | 62.8° | 180.0° |
| N5 | C2 | C3 | H5 | 177.2° | 60.0° |
| N5 | C2 | C3 | H6 | 57.2° | 60.0° |
| N5 | C2 | C4 | H7 | 60.6° | 60.0° |
| N5 | C2 | C4 | H8 | 59.4° | 60.0° |
| N5 | C2 | C4 | H9 | 179.4° | 180.0° |
| N5 | C6 | O7 | C8 | 178.3° | 179.9° |
| N5 | C6 | C8 | C14 | 35.1° | 179.7° |
| N5 | C6 | C8 | C9 | 143.6° | 0.1° |
| O7 | C6 | C8 | C14 | 146.6° | 0.2° |
| O7 | C6 | C8 | C9 | 34.8° | 180.0° |
| O7 | C6 | N5 | H20 | 179.9° | 180.0° |
| C6 | C8 | C14 | C9 | 178.7° | 179.8° |
| C6 | C8 | C14 | C12 | 179.2° | 179.7° |
| C6 | C8 | C9 | C10 | 179.9° | 180.0° |
| C8 | C6 | N5 | H20 | 1.6° | 0.1° |
| C6 | C8 | C9 | H21 | 0.1° | 0.0° |
| C6 | C8 | C14 | H25 | 0.8° | 0.1° |
| C8 | C14 | C12 | H25 | 180.0° | 179.8° |
| C8 | C14 | C12 | C13 | 179.5° | 179.8° |
| C8 | C14 | C12 | N11 | 0.2° | 0.5° |
| C14 | C8 | C9 | C10 | 1.4° | 0.3° |
| C14 | C8 | C9 | H21 | 178.7° | 179.8° |
| C14 | C12 | C13 | N11 | 179.7° | 179.7° |
| C12 | C14 | C8 | C9 | 0.5° | 0.5° |
| C14 | C12 | N11 | C10 | 0.7° | 0.3° |
| C14 | C12 | C13 | H22 | 179.7° | 89.8° |
| C14 | C12 | C13 | H23 | 60.3° | 30.2° |
| C14 | C12 | C13 | H24 | 59.7° | 150.2° |
| C13 | C12 | N11 | C10 | 178.9° | 180.0° |
| C12 | C13 | H22 | H23 | 120.0° | 120.0° |
| C12 | C13 | H22 | H24 | 120.0° | 120.0° |
| C12 | C13 | H23 | H24 | 120.0° | 120.0° |
| C13 | C12 | C14 | H25 | 0.5° | 0.0° |
| C8 | C9 | C10 | H21 | 180.0° | 179.9° |
| C8 | C9 | C10 | N11 | 2.0° | 0.0° |
| C8 | C9 | C10 | C15 | 179.9° | 180.0° |
| C9 | C8 | C14 | H25 | 179.5° | 179.7° |
| C12 | N11 | C10 | C9 | 1.6° | 0.0° |
| C12 | N11 | C10 | C15 | 179.4° | 180.0° |
| N11 | C12 | C13 | H22 | 0.0° | 90.0° |
| N11 | C12 | C13 | H23 | 120.0° | 150.0° |
| N11 | C12 | C13 | H24 | 120.0° | 30.0° |
| N11 | C12 | C14 | H25 | 179.8° | 179.7° |
| C9 | C10 | N11 | C15 | 177.8° | 180.0° |
| C9 | C10 | C15 | C16 | 6.8° | 116.7° |
| N11 | C10 | C15 | C16 | 171.1° | 63.3° |
| N11 | C10 | C9 | H21 | 178.1° | 180.0° |
| C10 | C15 | C16 | C17 | 108.5° | 180.0° |
| C15 | C10 | C9 | H21 | 0.1° | 0.1° |
| C15 | C16 | C17 | C25 | 173.1° | 116.7° |
| C15 | C16 | C17 | C18 | 6.7° | 63.5° |
| C16 | C17 | C25 | C18 | 179.7° | 179.8° |
| C16 | C17 | C25 | C24 | 179.6° | 179.7° |
| C16 | C17 | C18 | C19 | 178.4° | 180.0° |
| C16 | C17 | C18 | H10 | 1.6° | 0.0° |
| C16 | C17 | C25 | H26 | 0.4° | 0.1° |
| C17 | C25 | C24 | H26 | 180.0° | 179.8° |
| C25 | C17 | C18 | C19 | 1.3° | 0.2° |
| C17 | C25 | C24 | C23 | 1.2° | 0.5° |
| C25 | C17 | C18 | H10 | 178.7° | 179.7° |
| C17 | C25 | C24 | H11 | 178.8° | 179.6° |
| C18 | C17 | C25 | C24 | 0.1° | 0.5° |
| C17 | C18 | C19 | H10 | 180.0° | 179.9° |
| C17 | C18 | C19 | C23 | 1.2° | 0.0° |
| C17 | C18 | C19 | O20 | 178.8° | 180.0° |
| C18 | C17 | C25 | H26 | 179.9° | 179.7° |
| C25 | C24 | C23 | H11 | 180.0° | 179.8° |
| C25 | C24 | C23 | C19 | 1.4° | 0.3° |
| C25 | C24 | C23 | C22 | 178.7° | 179.6° |
| C18 | C19 | C23 | C24 | 0.1° | 0.0° |
| C18 | C19 | C23 | O20 | 180.0° | 180.0° |
| C18 | C19 | C23 | C22 | 179.9° | 179.9° |
| C18 | C19 | O20 | C21 | 178.6° | 179.9° |
| C24 | C23 | C19 | C22 | 179.9° | 179.9° |
| C24 | C23 | C19 | O20 | 179.9° | 179.9° |
| C24 | C23 | C22 | C21 | 178.9° | 179.8° |
| C24 | C23 | C22 | C26 | 4.1° | 0.7° |
| C23 | C24 | C25 | H26 | 178.7° | 179.7° |
| C23 | C19 | O20 | C21 | 1.4° | 0.1° |
| C19 | C23 | C22 | C21 | 1.2° | 0.3° |
| C19 | C23 | C22 | C26 | 176.0° | 179.2° |
| C23 | C19 | C18 | H10 | 178.8° | 179.9° |
| C19 | C23 | C24 | H11 | 178.6° | 179.9° |
| O20 | C19 | C23 | C22 | 0.1° | 0.2° |
| C19 | O20 | C21 | C22 | 2.2° | 0.3° |
| C19 | O20 | C21 | C39 | 178.0° | 179.4° |
| O20 | C19 | C18 | H10 | 1.2° | 0.1° |
| C23 | C22 | C21 | O20 | 2.1° | 0.4° |
| C23 | C22 | C21 | C26 | 175.5° | 179.6° |
| C23 | C22 | C21 | C39 | 178.2° | 179.4° |
| C23 | C22 | C26 | O27 | 4.1° | 14.2° |
| C23 | C22 | C26 | C28 | 173.1° | 165.8° |
| C22 | C23 | C24 | H11 | 1.2° | 0.2° |
| O20 | C21 | C22 | C39 | 179.7° | 179.7° |
| O20 | C21 | C22 | C26 | 177.6° | 179.2° |
| O20 | C21 | C39 | C40 | 58.3° | 73.9° |
| O20 | C21 | C39 | C41 | 58.4° | 44.8° |
| O20 | C21 | C39 | C38 | 175.9° | 165.5° |
| C22 | C21 | C39 | C40 | 122.0° | 105.8° |
| C21 | C22 | C26 | O27 | 178.3° | 166.4° |
| C21 | C22 | C26 | C28 | 1.1° | 13.6° |
| C22 | C21 | C39 | C41 | 121.2° | 135.5° |
| C22 | C21 | C39 | C38 | 4.5° | 14.8° |
| C26 | C22 | C21 | C39 | 2.7° | 1.1° |
| C22 | C26 | O27 | C28 | 177.0° | 180.0° |
| C22 | C26 | C28 | C38 | 2.7° | 13.7° |
| C22 | C26 | C28 | C29 | 177.5° | 166.3° |
| C21 | C39 | C40 | C41 | 117.5° | 118.8° |
| C21 | C39 | C40 | C38 | 119.5° | 122.5° |
| C21 | C39 | C41 | C38 | 125.0° | 122.5° |
| C21 | C39 | C38 | C28 | 2.7° | 14.5° |
| C21 | C39 | C38 | C37 | 176.6° | 165.7° |
| C21 | C39 | C40 | H17 | 180.0° | 60.0° |
| C21 | C39 | C40 | H18 | 60.0° | 180.0° |
| C21 | C39 | C40 | H19 | 60.0° | 60.0° |
| C21 | C39 | C41 | H29 | 180.0° | 60.0° |
| C21 | C39 | C41 | H30 | 60.0° | 180.0° |
| C21 | C39 | C41 | H31 | 60.0° | 60.0° |
| C40 | C39 | C41 | C38 | 120.6° | 118.7° |
| C40 | C39 | C38 | C28 | 118.0° | 106.1° |
| C40 | C39 | C38 | C37 | 61.2° | 73.7° |
| C39 | C40 | H17 | H18 | 120.0° | 120.1° |
| C39 | C40 | H17 | H19 | 120.0° | 120.0° |
| C39 | C40 | H18 | H19 | 120.0° | 120.0° |
| C40 | C39 | C41 | H29 | 65.6° | 178.8° |
| C40 | C39 | C41 | H30 | 54.4° | 61.2° |
| C40 | C39 | C41 | H31 | 174.4° | 58.8° |
| O27 | C26 | C28 | C38 | 179.8° | 166.3° |
| O27 | C26 | C28 | C29 | 0.4° | 13.8° |
| C26 | C28 | C38 | C39 | 0.7° | 0.8° |
| C26 | C28 | C38 | C29 | 179.8° | 179.9° |
| C26 | C28 | C38 | C37 | 179.9° | 179.4° |
| C26 | C28 | C29 | C30 | 180.0° | 179.5° |
| C26 | C28 | C29 | H27 | 0.0° | 0.4° |
| C41 | C39 | C38 | C28 | 121.4° | 135.2° |
| C41 | C39 | C38 | C37 | 59.4° | 45.0° |
| C41 | C39 | C40 | H17 | 62.6° | 58.8° |
| C41 | C39 | C40 | H18 | 177.4° | 61.2° |
| C41 | C39 | C40 | H19 | 57.5° | 178.8° |
| C39 | C41 | H29 | H30 | 120.0° | 120.1° |
| C39 | C41 | H29 | H31 | 120.0° | 120.0° |
| C39 | C41 | H30 | H31 | 120.0° | 120.0° |
| C39 | C38 | C28 | C37 | 179.2° | 179.8° |
| C39 | C38 | C28 | C29 | 179.5° | 179.3° |
| C39 | C38 | C37 | C31 | 179.5° | 179.6° |
| C39 | C38 | C37 | H16 | 0.5° | 0.5° |
| C38 | C39 | C40 | H17 | 60.5° | 177.5° |
| C38 | C39 | C40 | H18 | 59.5° | 57.5° |
| C38 | C39 | C40 | H19 | 179.5° | 62.5° |
| C38 | C39 | C41 | H29 | 55.0° | 62.5° |
| C38 | C39 | C41 | H30 | 175.0° | 57.5° |
| C38 | C39 | C41 | H31 | 65.0° | 177.5° |
| C38 | C28 | C29 | C30 | 0.2° | 0.4° |
| C28 | C38 | C37 | C31 | 0.3° | 0.2° |
| C28 | C38 | C37 | H16 | 179.8° | 179.7° |
| C38 | C28 | C29 | H27 | 179.8° | 179.7° |
| C29 | C28 | C38 | C37 | 0.3° | 0.5° |
| C28 | C29 | C30 | H27 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 0.0° | 0.1° |
| C28 | C29 | C30 | H12 | 180.0° | 179.9° |
| C38 | C37 | C31 | H16 | 180.0° | 180.0° |
| C38 | C37 | C31 | C30 | 0.0° | 0.1° |
| C38 | C37 | C31 | N32 | 179.3° | 179.9° |
| C29 | C30 | C31 | C37 | 0.1° | 0.2° |
| C29 | C30 | C31 | H12 | 180.0° | 180.0° |
| C29 | C30 | C31 | N32 | 179.4° | 179.8° |
| C37 | C31 | C30 | N32 | 179.3° | 180.0° |
| C37 | C31 | N32 | S33 | 172.3° | 135.0° |
| C37 | C31 | C30 | H12 | 179.9° | 179.8° |
| C37 | C31 | N32 | H28 | 50.1° | 44.9° |
| C30 | C31 | N32 | S33 | 8.4° | 45.0° |
| C30 | C31 | C37 | H16 | 180.0° | 179.9° |
| C31 | C30 | C29 | H27 | 180.0° | 180.0° |
| C30 | C31 | N32 | H28 | 130.6° | 135.1° |
| C31 | N32 | S33 | H28 | 122.2° | 179.9° |
| C31 | N32 | S33 | C34 | 69.9° | 65.0° |
| C31 | N32 | S33 | O36 | 48.6° | 178.9° |
| C31 | N32 | S33 | O35 | 174.6° | 51.1° |
| N32 | C31 | C30 | H12 | 0.6° | 0.2° |
| N32 | C31 | C37 | H16 | 0.7° | 0.1° |
| N32 | S33 | C34 | O36 | 115.4° | 111.7° |
| N32 | S33 | C34 | O35 | 109.6° | 111.6° |
| N32 | S33 | O36 | O35 | 115.1° | 116.7° |
| N32 | S33 | C34 | H13 | 180.0° | 60.0° |
| N32 | S33 | C34 | H14 | 60.0° | 180.0° |
| N32 | S33 | C34 | H15 | 60.0° | 60.0° |
| C34 | S33 | O36 | O35 | 130.7° | 131.5° |
| S33 | C34 | H13 | H14 | 120.0° | 120.0° |
| S33 | C34 | H13 | H15 | 120.0° | 120.0° |
| S33 | C34 | H14 | H15 | 120.0° | 120.0° |
| C34 | S33 | N32 | H28 | 52.4° | 115.0° |
| O36 | S33 | C34 | H13 | 64.6° | 51.6° |
| O36 | S33 | C34 | H14 | 55.4° | 68.3° |
| O36 | S33 | C34 | H15 | 175.4° | 171.6° |
| O36 | S33 | N32 | H28 | 170.8° | 1.1° |
| O35 | S33 | C34 | H13 | 70.4° | 171.6° |
| O35 | S33 | C34 | H14 | 169.6° | 68.4° |
| O35 | S33 | C34 | H15 | 49.6° | 51.6° |
| O35 | S33 | N32 | H28 | 63.1° | 129.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | H5 | H6 | 120.0° | 120.1° |
| H7 | C4 | H8 | H9 | 120.0° | 120.0° |
| H11 | C24 | C25 | H26 | 1.2° | 0.2° |
| H12 | C30 | C29 | H27 | 0.0° | 0.0° |
| H13 | C34 | H14 | H15 | 120.0° | 119.9° |
| H17 | C40 | H18 | H19 | 120.0° | 120.0° |
| H22 | C13 | H23 | H24 | 120.0° | 120.0° |
| H29 | C41 | H30 | H31 | 120.0° | 119.9° |
