25B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S29 | O38 | doub | 1.42Å | 1.40Å | |
| O37 | S29 | doub | 1.42Å | 1.41Å | |
| C37 | S29 | sing | 1.81Å | 1.68Å | |
| C29 | S29 | sing | 1.76Å | 1.64Å | |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C34 | sing | 1.38Å | 1.36Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.41Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | C34 | doub | 1.38Å | 1.41Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C10 | C37 | sing | 1.53Å | 1.55Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C11 | C10 | sing | 1.53Å | 1.56Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C20 | C11 | sing | 1.53Å | 1.53Å | |
| N12 | C11 | sing | 1.46Å | 1.48Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C23 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C13 | N12 | sing | 1.35Å | 1.33Å | |
| N12 | HN12 | sing | 0.97Å | 1.00Å | |
| O39 | C13 | doub | 1.21Å | 1.31Å | |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C19 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | C15 | sing | 1.53Å | 1.56Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C39 | C19 | sing | 1.51Å | 1.49Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C40 | C39 | sing | 1.47Å | 1.50Å | |
| C39 | O41 | doub | 1.21Å | 1.24Å | |
| C45 | C40 | doub | 1.40Å | 1.40Å | Aromatic |
| C41 | C40 | sing | 1.40Å | 1.38Å | Aromatic |
| C42 | C41 | doub | 1.38Å | 1.41Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C44 | C45 | sing | 1.38Å | 1.39Å | Aromatic |
| C45 | H45 | sing | 1.08Å | 1.08Å | |
| C43 | C44 | doub | 1.39Å | 1.35Å | Aromatic |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| CL22 | C43 | sing | 1.74Å | 1.80Å | |
| C43 | C42 | sing | 1.39Å | 1.37Å | Aromatic |
| C42 | H42 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O38 | S29 | O37 | 107.2° | 121.1° |
| O38 | S29 | C37 | 108.3° | 110.5° |
| O38 | S29 | C29 | 109.3° | 104.2° |
| O37 | S29 | C37 | 111.6° | 110.6° |
| O37 | S29 | C29 | 111.3° | 104.3° |
| C37 | S29 | C29 | 109.1° | 104.5° |
| S29 | C37 | C10 | 117.0° | 109.5° |
| S29 | C37 | H37 | 107.0° | 109.4° |
| S29 | C37 | H37A | 105.3° | 109.5° |
| S29 | C29 | C30 | 121.2° | 120.0° |
| S29 | C29 | C34 | 121.5° | 120.0° |
| C30 | C29 | C34 | 117.2° | 120.0° |
| C29 | C30 | C31 | 121.3° | 120.0° |
| C29 | C30 | H30 | 119.4° | 120.0° |
| C29 | C34 | C33 | 123.0° | 120.0° |
| C29 | C34 | H34 | 118.5° | 120.0° |
| C31 | C30 | H30 | 119.4° | 120.0° |
| C30 | C31 | C32 | 120.8° | 120.0° |
| C30 | C31 | H31 | 119.6° | 120.0° |
| C32 | C31 | H31 | 119.6° | 120.0° |
| C31 | C32 | C33 | 118.3° | 120.0° |
| C31 | C32 | H32 | 120.8° | 120.0° |
| C33 | C32 | H32 | 120.8° | 120.0° |
| C32 | C33 | C34 | 119.3° | 120.0° |
| C32 | C33 | H33 | 120.3° | 120.0° |
| C34 | C33 | H33 | 120.4° | 120.0° |
| C33 | C34 | H34 | 118.5° | 120.0° |
| C10 | C37 | H37 | 107.1° | 109.5° |
| C10 | C37 | H37A | 105.3° | 109.5° |
| C37 | C10 | C11 | 114.6° | 109.4° |
| C37 | C10 | H10 | 107.8° | 109.5° |
| C37 | C10 | H10A | 106.7° | 109.5° |
| H37 | C37 | H37A | 115.5° | 109.5° |
| C11 | C10 | H10 | 107.8° | 109.5° |
| C11 | C10 | H10A | 106.6° | 109.5° |
| C10 | C11 | C20 | 114.2° | 109.5° |
| C10 | C11 | N12 | 104.8° | 109.5° |
| C10 | C11 | H11 | 109.3° | 109.5° |
| H10 | C10 | H10A | 113.5° | 109.5° |
| C20 | C11 | N12 | 108.9° | 109.5° |
| C20 | C11 | H11 | 105.3° | 109.4° |
| C11 | C20 | C21 | 107.8° | 109.5° |
| C11 | C20 | H20 | 110.0° | 109.5° |
| C11 | C20 | H20A | 110.4° | 109.5° |
| N12 | C11 | H11 | 114.6° | 109.5° |
| C11 | N12 | C13 | 125.2° | 120.0° |
| C11 | N12 | HN12 | 117.4° | 120.0° |
| C21 | C20 | H20 | 110.1° | 109.5° |
| C21 | C20 | H20A | 110.4° | 109.5° |
| C20 | C21 | C23 | 111.9° | 109.5° |
| C20 | C21 | H21 | 108.7° | 109.5° |
| C20 | C21 | H21A | 108.1° | 109.5° |
| H20 | C20 | H20A | 108.1° | 109.4° |
| C23 | C21 | H21 | 108.7° | 109.4° |
| C23 | C21 | H21A | 108.1° | 109.4° |
| C21 | C23 | C24 | 110.6° | 109.5° |
| C21 | C23 | H23 | 109.1° | 109.5° |
| C21 | C23 | H23A | 108.8° | 109.4° |
| H21 | C21 | H21A | 111.4° | 109.5° |
| C24 | C23 | H23 | 109.1° | 109.5° |
| C24 | C23 | H23A | 108.9° | 109.5° |
| C23 | C24 | H24 | 109.5° | 109.5° |
| C23 | C24 | H24A | 109.5° | 109.5° |
| C23 | C24 | H24B | 109.5° | 109.5° |
| H23 | C23 | H23A | 110.3° | 109.4° |
| H24 | C24 | H24A | 109.5° | 109.5° |
| H24 | C24 | H24B | 109.5° | 109.4° |
| H24A | C24 | H24B | 109.5° | 109.5° |
| C13 | N12 | HN12 | 117.4° | 120.0° |
| N12 | C13 | O39 | 120.7° | 120.0° |
| N12 | C13 | C14 | 120.2° | 120.0° |
| O39 | C13 | C14 | 119.0° | 120.0° |
| C13 | C14 | C19 | 112.0° | 109.5° |
| C13 | C14 | C15 | 111.0° | 109.5° |
| C13 | C14 | H14 | 107.1° | 109.5° |
| C19 | C14 | C15 | 110.9° | 109.5° |
| C19 | C14 | H14 | 107.3° | 109.5° |
| C14 | C19 | C18 | 107.9° | 109.5° |
| C14 | C19 | C39 | 111.5° | 109.5° |
| C14 | C19 | H19 | 109.7° | 109.5° |
| C15 | C14 | H14 | 108.3° | 109.5° |
| C14 | C15 | C16 | 111.8° | 109.4° |
| C14 | C15 | H15 | 108.7° | 109.4° |
| C14 | C15 | H15A | 108.2° | 109.5° |
| C16 | C15 | H15 | 108.7° | 109.5° |
| C16 | C15 | H15A | 108.2° | 109.5° |
| C15 | C16 | C17 | 110.4° | 109.5° |
| C15 | C16 | H16 | 109.2° | 109.5° |
| C15 | C16 | H16A | 108.9° | 109.5° |
| H15 | C15 | H15A | 111.3° | 109.5° |
| C17 | C16 | H16 | 109.2° | 109.4° |
| C17 | C16 | H16A | 109.0° | 109.5° |
| C16 | C17 | C18 | 111.3° | 109.4° |
| C16 | C17 | H17 | 108.9° | 109.5° |
| C16 | C17 | H17A | 108.5° | 109.5° |
| H16 | C16 | H16A | 110.2° | 109.5° |
| C18 | C17 | H17 | 108.9° | 109.5° |
| C18 | C17 | H17A | 108.5° | 109.5° |
| C17 | C18 | C19 | 115.1° | 109.5° |
| C17 | C18 | H18 | 107.6° | 109.5° |
| C17 | C18 | H18A | 106.4° | 109.5° |
| H17 | C17 | H17A | 110.9° | 109.5° |
| C19 | C18 | H18 | 107.6° | 109.4° |
| C19 | C18 | H18A | 106.3° | 109.5° |
| C18 | C19 | C39 | 110.9° | 109.5° |
| C18 | C19 | H19 | 110.3° | 109.5° |
| H18 | C18 | H18A | 114.0° | 109.5° |
| C39 | C19 | H19 | 106.6° | 109.5° |
| C19 | C39 | C40 | 120.0° | 120.0° |
| C19 | C39 | O41 | 123.2° | 120.0° |
| C40 | C39 | O41 | 116.5° | 120.0° |
| C39 | C40 | C45 | 118.4° | 120.1° |
| C39 | C40 | C41 | 120.5° | 120.2° |
| C45 | C40 | C41 | 120.6° | 119.7° |
| C40 | C45 | C44 | 119.8° | 119.8° |
| C40 | C45 | H45 | 120.1° | 120.1° |
| C40 | C41 | C42 | 118.9° | 119.8° |
| C40 | C41 | H41 | 120.6° | 120.1° |
| C42 | C41 | H41 | 120.5° | 120.1° |
| C41 | C42 | C43 | 118.6° | 120.2° |
| C41 | C42 | H42 | 120.7° | 119.9° |
| C44 | C45 | H45 | 120.1° | 120.1° |
| C45 | C44 | C43 | 118.5° | 120.2° |
| C45 | C44 | H44 | 120.8° | 119.9° |
| C43 | C44 | H44 | 120.8° | 119.9° |
| C44 | C43 | CL22 | 117.5° | 119.8° |
| C44 | C43 | C42 | 123.5° | 120.3° |
| CL22 | C43 | C42 | 118.9° | 119.8° |
| C43 | C42 | H42 | 120.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O38 | S29 | O37 | C37 | 118.4° | 131.5° |
| O38 | S29 | O37 | C29 | 119.5° | 116.7° |
| O38 | S29 | C37 | C29 | 118.8° | 111.6° |
| O38 | S29 | C29 | C30 | 115.1° | 26.4° |
| O38 | S29 | C29 | C34 | 64.0° | 153.9° |
| O38 | S29 | C37 | C10 | 83.4° | 68.4° |
| O38 | S29 | C37 | H37 | 36.6° | 171.6° |
| O38 | S29 | C37 | H37A | 160.1° | 51.6° |
| O37 | S29 | C37 | C29 | 123.4° | 111.7° |
| O37 | S29 | C29 | C30 | 3.1° | 154.2° |
| O37 | S29 | C29 | C34 | 177.8° | 26.1° |
| O37 | S29 | C37 | C10 | 34.4° | 68.4° |
| O37 | S29 | C37 | H37 | 154.4° | 51.6° |
| O37 | S29 | C37 | H37A | 82.1° | 171.6° |
| C37 | S29 | C29 | C30 | 126.7° | 89.7° |
| C37 | S29 | C29 | C34 | 54.2° | 90.0° |
| S29 | C37 | C10 | H37 | 120.0° | 120.0° |
| S29 | C37 | C10 | H37A | 116.5° | 120.0° |
| S29 | C37 | H37 | H37A | 116.9° | 120.0° |
| S29 | C37 | C10 | C11 | 110.6° | 180.0° |
| S29 | C37 | C10 | H10 | 9.4° | 60.0° |
| S29 | C37 | C10 | H10A | 131.7° | 60.0° |
| S29 | C29 | C30 | C34 | 179.2° | 179.7° |
| S29 | C29 | C30 | C31 | 179.9° | 180.0° |
| S29 | C29 | C30 | H30 | 0.1° | 0.1° |
| S29 | C29 | C34 | C33 | 180.0° | 179.8° |
| S29 | C29 | C34 | H34 | 0.0° | 0.0° |
| C29 | S29 | C37 | C10 | 157.8° | 180.0° |
| C29 | S29 | C37 | H37 | 82.2° | 60.0° |
| C29 | S29 | C37 | H37A | 41.3° | 60.0° |
| C29 | C30 | C31 | H30 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.7° | 0.1° |
| C29 | C30 | C31 | H31 | 179.3° | 180.0° |
| C30 | C29 | C34 | C33 | 0.8° | 0.5° |
| C30 | C29 | C34 | H34 | 179.2° | 179.7° |
| C34 | C29 | C30 | C31 | 0.8° | 0.4° |
| C34 | C29 | C30 | H30 | 179.2° | 179.8° |
| C29 | C34 | C33 | C32 | 0.8° | 0.4° |
| C29 | C34 | C33 | H34 | 180.0° | 179.8° |
| C29 | C34 | C33 | H33 | 179.2° | 179.7° |
| C30 | C31 | C32 | H31 | 180.0° | 179.9° |
| C30 | C31 | C32 | C33 | 0.7° | 0.0° |
| C30 | C31 | C32 | H32 | 179.3° | 180.0° |
| H30 | C30 | C31 | C32 | 179.3° | 180.0° |
| H30 | C30 | C31 | H31 | 0.7° | 0.1° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.7° | 0.1° |
| C31 | C32 | C33 | H33 | 179.3° | 179.9° |
| H31 | C31 | C32 | C33 | 179.3° | 179.9° |
| H31 | C31 | C32 | H32 | 0.7° | 0.1° |
| C32 | C33 | C34 | H33 | 180.0° | 179.9° |
| C32 | C33 | C34 | H34 | 179.2° | 179.8° |
| H32 | C32 | C33 | C34 | 179.3° | 179.8° |
| H32 | C32 | C33 | H33 | 0.7° | 0.1° |
| H33 | C33 | C34 | H34 | 0.8° | 0.2° |
| C10 | C37 | H37 | H37A | 116.9° | 120.0° |
| C37 | C10 | C11 | H10 | 120.0° | 120.0° |
| C37 | C10 | C11 | H10A | 117.8° | 120.0° |
| C37 | C10 | H10 | H10A | 117.9° | 120.0° |
| C37 | C10 | C11 | C20 | 47.7° | 175.0° |
| C37 | C10 | C11 | N12 | 71.4° | 65.0° |
| C37 | C10 | C11 | H11 | 165.3° | 55.0° |
| H37 | C37 | C10 | C11 | 129.4° | 60.0° |
| H37 | C37 | C10 | H10 | 110.6° | 180.0° |
| H37 | C37 | C10 | H10A | 11.7° | 60.0° |
| H37A | C37 | C10 | C11 | 6.0° | 60.0° |
| H37A | C37 | C10 | H10 | 125.9° | 60.0° |
| H37A | C37 | C10 | H10A | 111.8° | 180.0° |
| C11 | C10 | H10 | H10A | 117.9° | 120.0° |
| C10 | C11 | C20 | N12 | 116.7° | 120.0° |
| C10 | C11 | C20 | H11 | 119.9° | 120.0° |
| C10 | C11 | N12 | H11 | 119.8° | 120.0° |
| C10 | C11 | C20 | C21 | 169.4° | 175.0° |
| C10 | C11 | C20 | H20 | 70.6° | 65.0° |
| C10 | C11 | C20 | H20A | 48.7° | 55.0° |
| C10 | C11 | N12 | C13 | 114.7° | 155.0° |
| C10 | C11 | N12 | HN12 | 65.3° | 25.0° |
| H10 | C10 | C11 | C20 | 72.3° | 65.0° |
| H10 | C10 | C11 | N12 | 168.6° | 55.0° |
| H10 | C10 | C11 | H11 | 45.3° | 175.0° |
| H10A | C10 | C11 | C20 | 165.4° | 55.0° |
| H10A | C10 | C11 | N12 | 46.4° | 175.0° |
| H10A | C10 | C11 | H11 | 77.0° | 65.0° |
| C20 | C11 | N12 | H11 | 117.6° | 120.0° |
| C11 | C20 | C21 | H20 | 120.0° | 120.0° |
| C11 | C20 | C21 | H20A | 120.7° | 120.0° |
| C11 | C20 | H20 | H20A | 120.7° | 120.0° |
| C11 | C20 | C21 | C23 | 179.5° | 180.0° |
| C11 | C20 | C21 | H21 | 60.5° | 60.0° |
| C11 | C20 | C21 | H21A | 60.5° | 60.0° |
| C20 | C11 | N12 | C13 | 122.7° | 85.0° |
| C20 | C11 | N12 | HN12 | 57.3° | 95.0° |
| N12 | C11 | C20 | C21 | 73.8° | 65.0° |
| N12 | C11 | C20 | H20 | 46.2° | 55.1° |
| N12 | C11 | C20 | H20A | 165.5° | 175.0° |
| C11 | N12 | C13 | HN12 | 180.0° | 180.0° |
| C11 | N12 | C13 | O39 | 3.2° | 0.0° |
| C11 | N12 | C13 | C14 | 175.1° | 180.0° |
| H11 | C11 | C20 | C21 | 49.5° | 55.0° |
| H11 | C11 | C20 | H20 | 169.5° | 175.0° |
| H11 | C11 | C20 | H20A | 71.2° | 65.0° |
| H11 | C11 | N12 | C13 | 5.1° | 35.0° |
| H11 | C11 | N12 | HN12 | 174.9° | 145.0° |
| C21 | C20 | H20 | H20A | 120.7° | 120.0° |
| C20 | C21 | C23 | H21 | 120.0° | 120.0° |
| C20 | C21 | C23 | H21A | 119.0° | 120.0° |
| C20 | C21 | H21 | H21A | 119.0° | 120.0° |
| C20 | C21 | C23 | C24 | 61.9° | 180.0° |
| C20 | C21 | C23 | H23 | 178.1° | 60.0° |
| C20 | C21 | C23 | H23A | 57.6° | 60.0° |
| H20 | C20 | C21 | C23 | 59.5° | 60.0° |
| H20 | C20 | C21 | H21 | 179.5° | 179.9° |
| H20 | C20 | C21 | H21A | 59.5° | 60.0° |
| H20A | C20 | C21 | C23 | 59.8° | 60.0° |
| H20A | C20 | C21 | H21 | 60.2° | 60.0° |
| H20A | C20 | C21 | H21A | 178.8° | 180.0° |
| C23 | C21 | H21 | H21A | 119.0° | 120.0° |
| C21 | C23 | C24 | H23 | 120.0° | 120.0° |
| C21 | C23 | C24 | H23A | 119.5° | 120.0° |
| C21 | C23 | H23 | H23A | 119.5° | 120.0° |
| C21 | C23 | C24 | H24 | 140.1° | 180.0° |
| C21 | C23 | C24 | H24A | 99.9° | 60.0° |
| C21 | C23 | C24 | H24B | 20.1° | 60.1° |
| H21 | C21 | C23 | C24 | 58.1° | 60.0° |
| H21 | C21 | C23 | H23 | 61.9° | 180.0° |
| H21 | C21 | C23 | H23A | 177.6° | 60.0° |
| H21A | C21 | C23 | C24 | 179.1° | 60.0° |
| H21A | C21 | C23 | H23 | 59.1° | 60.0° |
| H21A | C21 | C23 | H23A | 61.3° | 180.0° |
| C24 | C23 | H23 | H23A | 119.5° | 120.0° |
| C23 | C24 | H24 | H24A | 120.0° | 120.0° |
| C23 | C24 | H24 | H24B | 120.0° | 120.0° |
| C23 | C24 | H24A | H24B | 120.0° | 120.0° |
| H23 | C23 | C24 | H24 | 20.1° | 59.9° |
| H23 | C23 | C24 | H24A | 140.1° | 180.0° |
| H23 | C23 | C24 | H24B | 99.9° | 60.0° |
| H23A | C23 | C24 | H24 | 100.3° | 60.0° |
| H23A | C23 | C24 | H24A | 19.7° | 60.0° |
| H23A | C23 | C24 | H24B | 139.6° | 180.0° |
| H24 | C24 | H24A | H24B | 120.0° | 119.9° |
| N12 | C13 | O39 | C14 | 178.4° | 180.0° |
| N12 | C13 | C14 | C19 | 133.8° | 180.0° |
| N12 | C13 | C14 | C15 | 101.7° | 60.0° |
| N12 | C13 | C14 | H14 | 16.4° | 60.0° |
| HN12 | N12 | C13 | O39 | 176.8° | 180.0° |
| HN12 | N12 | C13 | C14 | 4.9° | 0.0° |
| O39 | C13 | C14 | C19 | 47.9° | 0.0° |
| O39 | C13 | C14 | C15 | 76.7° | 120.0° |
| O39 | C13 | C14 | H14 | 165.2° | 120.0° |
| C13 | C14 | C19 | C15 | 124.6° | 120.0° |
| C13 | C14 | C19 | H14 | 117.3° | 120.0° |
| C13 | C14 | C15 | H14 | 117.4° | 120.0° |
| C13 | C14 | C15 | C16 | 177.0° | 180.0° |
| C13 | C14 | C15 | H15 | 63.0° | 60.0° |
| C13 | C14 | C15 | H15A | 58.0° | 60.1° |
| C13 | C14 | C19 | C18 | 179.4° | 180.0° |
| C13 | C14 | C19 | C39 | 57.4° | 60.0° |
| C13 | C14 | C19 | H19 | 60.4° | 60.0° |
| C19 | C14 | C15 | H14 | 117.5° | 120.0° |
| C19 | C14 | C15 | C16 | 57.8° | 60.0° |
| C19 | C14 | C15 | H15 | 62.2° | 60.0° |
| C19 | C14 | C15 | H15A | 176.8° | 180.0° |
| C14 | C19 | C18 | C17 | 56.4° | 60.0° |
| C14 | C19 | C18 | C39 | 122.3° | 120.0° |
| C14 | C19 | C18 | H19 | 119.8° | 120.0° |
| C14 | C19 | C18 | H18 | 176.4° | 180.0° |
| C14 | C19 | C18 | H18A | 61.1° | 60.0° |
| C14 | C19 | C39 | H19 | 119.7° | 120.0° |
| C14 | C19 | C39 | C40 | 137.5° | 155.0° |
| C14 | C19 | C39 | O41 | 36.4° | 25.0° |
| C14 | C15 | C16 | H15 | 120.0° | 120.0° |
| C14 | C15 | C16 | H15A | 119.0° | 120.0° |
| C14 | C15 | H15 | H15A | 119.1° | 120.0° |
| C14 | C15 | C16 | C17 | 54.7° | 60.0° |
| C14 | C15 | C16 | H16 | 174.7° | 180.0° |
| C14 | C15 | C16 | H16A | 64.9° | 60.0° |
| C15 | C14 | C19 | C18 | 56.0° | 60.0° |
| C15 | C14 | C19 | C39 | 178.0° | 180.0° |
| C15 | C14 | C19 | H19 | 64.2° | 60.0° |
| H14 | C14 | C15 | C16 | 59.7° | 60.0° |
| H14 | C14 | C15 | H15 | 179.6° | 180.0° |
| H14 | C14 | C15 | H15A | 59.4° | 60.0° |
| H14 | C14 | C19 | C18 | 62.1° | 60.0° |
| H14 | C14 | C19 | C39 | 59.9° | 60.0° |
| H14 | C14 | C19 | H19 | 177.7° | 180.0° |
| C16 | C15 | H15 | H15A | 119.0° | 120.0° |
| C15 | C16 | C17 | H16 | 120.0° | 120.0° |
| C15 | C16 | C17 | H16A | 119.6° | 120.0° |
| C15 | C16 | H16 | H16A | 119.6° | 120.0° |
| C15 | C16 | C17 | C18 | 52.4° | 60.0° |
| C15 | C16 | C17 | H17 | 67.7° | 59.9° |
| C15 | C16 | C17 | H17A | 171.6° | 180.0° |
| H15 | C15 | C16 | C17 | 65.3° | 59.9° |
| H15 | C15 | C16 | H16 | 54.7° | 60.0° |
| H15 | C15 | C16 | H16A | 175.1° | 179.9° |
| H15A | C15 | C16 | C17 | 173.7° | 180.0° |
| H15A | C15 | C16 | H16 | 66.3° | 60.1° |
| H15A | C15 | C16 | H16A | 54.1° | 60.0° |
| C17 | C16 | H16 | H16A | 119.6° | 120.0° |
| C16 | C17 | C18 | H17 | 120.0° | 120.0° |
| C16 | C17 | C18 | H17A | 119.2° | 120.0° |
| C16 | C17 | H17 | H17A | 119.3° | 120.0° |
| C16 | C17 | C18 | C19 | 55.4° | 60.0° |
| C16 | C17 | C18 | H18 | 175.4° | 180.0° |
| C16 | C17 | C18 | H18A | 62.0° | 60.0° |
| H16 | C16 | C17 | C18 | 172.4° | 180.0° |
| H16 | C16 | C17 | H17 | 52.4° | 60.0° |
| H16 | C16 | C17 | H17A | 68.4° | 60.0° |
| H16A | C16 | C17 | C18 | 67.2° | 60.0° |
| H16A | C16 | C17 | H17 | 172.8° | 180.0° |
| H16A | C16 | C17 | H17A | 52.0° | 60.0° |
| C18 | C17 | H17 | H17A | 119.3° | 120.0° |
| C17 | C18 | C19 | H18 | 120.0° | 120.0° |
| C17 | C18 | C19 | H18A | 117.5° | 120.1° |
| C17 | C18 | H18 | H18A | 117.7° | 120.0° |
| C17 | C18 | C19 | C39 | 178.7° | 180.0° |
| C17 | C18 | C19 | H19 | 63.4° | 59.9° |
| H17 | C17 | C18 | C19 | 64.6° | 59.9° |
| H17 | C17 | C18 | H18 | 55.4° | 60.0° |
| H17 | C17 | C18 | H18A | 178.0° | 180.0° |
| H17A | C17 | C18 | C19 | 174.6° | 180.0° |
| H17A | C17 | C18 | H18 | 65.4° | 60.0° |
| H17A | C17 | C18 | H18A | 57.2° | 60.0° |
| C19 | C18 | H18 | H18A | 117.7° | 120.0° |
| C18 | C19 | C39 | H19 | 120.1° | 120.0° |
| C18 | C19 | C39 | C40 | 102.4° | 85.0° |
| C18 | C19 | C39 | O41 | 83.8° | 95.0° |
| H18 | C18 | C19 | C39 | 61.3° | 60.0° |
| H18 | C18 | C19 | H19 | 56.6° | 60.0° |
| H18A | C18 | C19 | C39 | 61.2° | 60.0° |
| H18A | C18 | C19 | H19 | 179.1° | 180.0° |
| C19 | C39 | C40 | O41 | 174.3° | 180.0° |
| C19 | C39 | C40 | C45 | 163.5° | 0.3° |
| C19 | C39 | C40 | C41 | 8.4° | 180.0° |
| H19 | C19 | C39 | C40 | 17.7° | 35.0° |
| H19 | C19 | C39 | O41 | 156.1° | 145.0° |
| C39 | C40 | C45 | C41 | 171.9° | 179.7° |
| C39 | C40 | C41 | C42 | 175.5° | 180.0° |
| C39 | C40 | C41 | H41 | 4.6° | 0.1° |
| C39 | C40 | C45 | C44 | 175.9° | 180.0° |
| C39 | C40 | C45 | H45 | 4.1° | 0.1° |
| O41 | C39 | C40 | C45 | 10.8° | 179.7° |
| O41 | C39 | C40 | C41 | 177.3° | 0.0° |
| C45 | C40 | C41 | C42 | 3.7° | 0.3° |
| C45 | C40 | C41 | H41 | 176.3° | 179.8° |
| C40 | C45 | C44 | H45 | 180.0° | 179.9° |
| C40 | C45 | C44 | C43 | 1.4° | 0.0° |
| C40 | C45 | C44 | H44 | 178.6° | 180.0° |
| C40 | C41 | C42 | H41 | 180.0° | 179.9° |
| C41 | C40 | C45 | C44 | 4.0° | 0.3° |
| C41 | C40 | C45 | H45 | 176.0° | 179.6° |
| C40 | C41 | C42 | C43 | 0.9° | 0.0° |
| C40 | C41 | C42 | H42 | 179.1° | 179.7° |
| C41 | C42 | C43 | C44 | 1.8° | 0.2° |
| C41 | C42 | C43 | CL22 | 179.9° | 179.9° |
| C41 | C42 | C43 | H42 | 180.0° | 179.7° |
| H41 | C41 | C42 | C43 | 179.1° | 180.0° |
| H41 | C41 | C42 | H42 | 0.9° | 0.2° |
| C45 | C44 | C43 | H44 | 180.0° | 180.0° |
| C45 | C44 | C43 | CL22 | 179.9° | 180.0° |
| C45 | C44 | C43 | C42 | 1.6° | 0.3° |
| H45 | C45 | C44 | C43 | 178.6° | 179.9° |
| H45 | C45 | C44 | H44 | 1.4° | 0.1° |
| C44 | C43 | CL22 | C42 | 178.4° | 179.7° |
| C44 | C43 | C42 | H42 | 178.2° | 180.0° |
| H44 | C44 | C43 | CL22 | 0.1° | 0.0° |
| H44 | C44 | C43 | C42 | 178.5° | 179.7° |
| CL22 | C43 | C42 | H42 | 0.1° | 0.3° |
