QFV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | N27 | sing | 1.47Å | 1.47Å | |
| C28 | C22 | sing | 1.53Å | 1.53Å | |
| N27 | C26 | sing | 1.47Å | 1.47Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| N21 | C22 | sing | 1.46Å | 1.46Å | |
| N21 | C19 | sing | 1.38Å | 1.37Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.36Å | 1.36Å | Aromatic |
| C22 | C24 | sing | 1.53Å | 1.54Å | |
| C2 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| N18 | C19 | doub | 1.33Å | 1.31Å | Aromatic |
| N18 | C17 | sing | 1.32Å | 1.32Å | Aromatic |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C19 | N20 | sing | 1.32Å | 1.32Å | Aromatic |
| O36 | S34 | doub | 1.42Å | 1.42Å | |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| N20 | C15 | doub | 1.33Å | 1.33Å | Aromatic |
| C16 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | C10 | sing | 1.48Å | 1.49Å | |
| C7 | O8 | sing | 1.36Å | 1.36Å | |
| C7 | C6 | doub | 1.41Å | 1.41Å | Aromatic |
| O8 | C9 | sing | 1.35Å | 1.36Å | |
| O35 | S34 | doub | 1.42Å | 1.43Å | |
| C10 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| S34 | C37 | sing | 1.76Å | 1.77Å | |
| S34 | N33 | sing | 1.66Å | 1.66Å | |
| C9 | N14 | sing | 1.32Å | 1.33Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.38Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.42Å | 1.42Å | Aromatic |
| C5 | C32 | sing | 1.41Å | 1.41Å | Aromatic |
| C6 | C29 | sing | 1.40Å | 1.40Å | Aromatic |
| N14 | C13 | doub | 1.32Å | 1.32Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 1.38Å | Aromatic |
| C37 | C42 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| N33 | C32 | sing | 1.39Å | 1.41Å | |
| C32 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C30 | doub | 1.36Å | 1.36Å | Aromatic |
| C40 | C41 | doub | 1.38Å | 1.38Å | Aromatic |
| C42 | C41 | sing | 1.38Å | 1.38Å | Aromatic |
| C42 | CL43 | sing | 1.74Å | 1.74Å | |
| C31 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| N21 | H18 | sing | 0.97Å | 1.00Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| N27 | H21 | sing | 1.01Å | 1.00Å | |
| C29 | H23 | sing | 1.08Å | 1.08Å | |
| C30 | H24 | sing | 1.08Å | 1.08Å | |
| C31 | H25 | sing | 1.08Å | 1.08Å | |
| N33 | H26 | sing | 0.97Å | 1.00Å | |
| C38 | H27 | sing | 1.08Å | 1.08Å | |
| C39 | H28 | sing | 1.08Å | 1.08Å | |
| C40 | H29 | sing | 1.08Å | 1.08Å | |
| C41 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N27 | C28 | C22 | 109.6° | 109.5° |
| C28 | N27 | C26 | 110.6° | 111.2° |
| N27 | C28 | H9 | 109.4° | 109.5° |
| N27 | C28 | H10 | 109.4° | 109.5° |
| C28 | N27 | H21 | 109.2° | 111.0° |
| C28 | C22 | N21 | 109.1° | 109.6° |
| C28 | C22 | C24 | 110.5° | 109.3° |
| C28 | C22 | H4 | 109.4° | 109.5° |
| C22 | C28 | H9 | 109.5° | 109.4° |
| C22 | C28 | H10 | 109.4° | 109.5° |
| N27 | C26 | C25 | 109.3° | 109.5° |
| N27 | C26 | H7 | 109.5° | 109.4° |
| N27 | C26 | H8 | 109.5° | 109.5° |
| C26 | N27 | H21 | 109.2° | 111.0° |
| C26 | C25 | C24 | 109.3° | 109.3° |
| C25 | C26 | H7 | 109.5° | 109.4° |
| C25 | C26 | H8 | 109.5° | 109.5° |
| C26 | C25 | H19 | 109.5° | 109.5° |
| C26 | C25 | H20 | 109.5° | 109.5° |
| C1 | C2 | C3 | 116.8° | 119.7° |
| C1 | C2 | C7 | 123.2° | 119.6° |
| C2 | C1 | H11 | 109.5° | 109.4° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C22 | N21 | C19 | 120.9° | 120.0° |
| N21 | C22 | C24 | 108.2° | 109.5° |
| N21 | C22 | H4 | 110.4° | 109.5° |
| C22 | N21 | H18 | 106.5° | 120.0° |
| N21 | C19 | N18 | 117.8° | 119.1° |
| N21 | C19 | N20 | 119.9° | 119.2° |
| C19 | N21 | H18 | 106.5° | 119.9° |
| C2 | C3 | C4 | 121.4° | 121.1° |
| C3 | C2 | C7 | 120.0° | 120.7° |
| C2 | C3 | H14 | 119.3° | 119.4° |
| C3 | C4 | C5 | 120.4° | 119.9° |
| C3 | C4 | H1 | 119.8° | 120.1° |
| C4 | C3 | H14 | 119.3° | 119.5° |
| C22 | C24 | C25 | 109.9° | 109.2° |
| C24 | C22 | H4 | 109.3° | 109.5° |
| C22 | C24 | H5 | 109.4° | 109.5° |
| C22 | C24 | H6 | 109.4° | 109.5° |
| C2 | C7 | O8 | 123.9° | 120.3° |
| C2 | C7 | C6 | 119.8° | 119.4° |
| C19 | N18 | C17 | 120.5° | 121.0° |
| N18 | C19 | N20 | 122.3° | 121.7° |
| N18 | C17 | C16 | 119.2° | 119.3° |
| N18 | C17 | H3 | 120.4° | 120.4° |
| C25 | C24 | H5 | 109.4° | 109.5° |
| C25 | C24 | H6 | 109.4° | 109.5° |
| C24 | C25 | H19 | 109.5° | 109.5° |
| C24 | C25 | H20 | 109.5° | 109.5° |
| C19 | N20 | C15 | 121.0° | 120.6° |
| O36 | S34 | O35 | 121.7° | 123.2° |
| O36 | S34 | C37 | 105.1° | 106.4° |
| O36 | S34 | N33 | 108.0° | 106.4° |
| C17 | C16 | C15 | 119.3° | 118.5° |
| C16 | C17 | H3 | 120.4° | 120.3° |
| C17 | C16 | H17 | 120.3° | 120.8° |
| N20 | C15 | C16 | 117.7° | 119.0° |
| N20 | C15 | C10 | 119.1° | 120.5° |
| C16 | C15 | C10 | 123.1° | 120.5° |
| C15 | C16 | H17 | 120.3° | 120.7° |
| C4 | C5 | C6 | 118.7° | 119.5° |
| C4 | C5 | C32 | 121.4° | 121.1° |
| C5 | C4 | H1 | 119.8° | 120.0° |
| C15 | C10 | C9 | 124.7° | 120.6° |
| C15 | C10 | C11 | 117.4° | 120.6° |
| O8 | C7 | C6 | 116.2° | 120.3° |
| C7 | O8 | C9 | 122.4° | 118.0° |
| C7 | C6 | C5 | 119.7° | 119.3° |
| C7 | C6 | C29 | 120.5° | 121.2° |
| O8 | C9 | C10 | 120.8° | 119.8° |
| O8 | C9 | N14 | 118.8° | 119.7° |
| O35 | S34 | C37 | 108.1° | 106.4° |
| O35 | S34 | N33 | 107.8° | 106.4° |
| C9 | C10 | C11 | 117.9° | 118.9° |
| C10 | C9 | N14 | 120.4° | 120.4° |
| C10 | C11 | C12 | 119.1° | 118.4° |
| C10 | C11 | H15 | 120.5° | 120.8° |
| C37 | S34 | N33 | 105.0° | 107.2° |
| S34 | C37 | C38 | 119.0° | 120.0° |
| S34 | C37 | C42 | 121.4° | 120.0° |
| S34 | N33 | C32 | 123.3° | 120.0° |
| S34 | N33 | H26 | 105.9° | 120.0° |
| C9 | N14 | C13 | 122.5° | 121.8° |
| C39 | C38 | C37 | 120.1° | 120.0° |
| C38 | C39 | C40 | 120.2° | 120.0° |
| C39 | C38 | H27 | 119.9° | 120.0° |
| C38 | C39 | H28 | 119.9° | 120.0° |
| C38 | C37 | C42 | 119.5° | 120.0° |
| C37 | C38 | H27 | 119.9° | 120.0° |
| C11 | C12 | C13 | 119.8° | 119.4° |
| C12 | C11 | H15 | 120.4° | 120.8° |
| C11 | C12 | H16 | 120.1° | 120.3° |
| C6 | C5 | C32 | 119.8° | 119.3° |
| C5 | C6 | C29 | 119.8° | 119.5° |
| C5 | C32 | N33 | 121.1° | 120.3° |
| C5 | C32 | C31 | 118.7° | 119.4° |
| C6 | C29 | C30 | 119.2° | 120.0° |
| C6 | C29 | H23 | 120.4° | 120.0° |
| N14 | C13 | C12 | 120.3° | 121.1° |
| N14 | C13 | H2 | 119.9° | 119.5° |
| C39 | C40 | C41 | 120.0° | 120.0° |
| C40 | C39 | H28 | 119.9° | 120.0° |
| C39 | C40 | H29 | 120.0° | 120.0° |
| C37 | C42 | C41 | 120.2° | 120.0° |
| C37 | C42 | CL43 | 120.8° | 120.0° |
| C12 | C13 | H2 | 119.8° | 119.4° |
| C13 | C12 | H16 | 120.1° | 120.3° |
| N33 | C32 | C31 | 120.3° | 120.3° |
| C32 | N33 | H26 | 105.9° | 120.0° |
| C32 | C31 | C30 | 120.9° | 120.7° |
| C32 | C31 | H25 | 119.6° | 119.7° |
| C29 | C30 | C31 | 121.6° | 121.1° |
| C30 | C29 | H23 | 120.4° | 120.0° |
| C29 | C30 | H24 | 119.2° | 119.5° |
| C40 | C41 | C42 | 119.9° | 120.0° |
| C41 | C40 | H29 | 120.0° | 120.0° |
| C40 | C41 | H30 | 120.1° | 120.0° |
| C41 | C42 | CL43 | 118.9° | 120.0° |
| C42 | C41 | H30 | 120.0° | 120.0° |
| C31 | C30 | H24 | 119.2° | 119.5° |
| C30 | C31 | H25 | 119.6° | 119.6° |
| H5 | C24 | H6 | 109.4° | 109.6° |
| H7 | C26 | H8 | 109.5° | 109.5° |
| H9 | C28 | H10 | 109.4° | 109.4° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H13 | 109.4° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.4° |
| H19 | C25 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N27 | C28 | C22 | H9 | 120.0° | 120.0° |
| N27 | C28 | C22 | H10 | 120.0° | 120.1° |
| C28 | N27 | C26 | H21 | 120.2° | 124.1° |
| C28 | N27 | C26 | C25 | 63.8° | 61.8° |
| N27 | C28 | C22 | N21 | 176.0° | 179.1° |
| N27 | C28 | C22 | C24 | 57.1° | 59.1° |
| N27 | C28 | C22 | H4 | 63.2° | 60.7° |
| C28 | N27 | C26 | H7 | 56.1° | 178.2° |
| C28 | N27 | C26 | H8 | 176.2° | 58.3° |
| N27 | C28 | H9 | H10 | 119.9° | 120.0° |
| C22 | C28 | N27 | C26 | 62.2° | 61.7° |
| C28 | C22 | N21 | C24 | 120.2° | 119.9° |
| C28 | C22 | N21 | H4 | 120.2° | 120.1° |
| C28 | C22 | N21 | C19 | 83.3° | 85.1° |
| C28 | C22 | C24 | H4 | 120.4° | 119.9° |
| C28 | C22 | C24 | C25 | 54.5° | 57.6° |
| C28 | C22 | C24 | H5 | 174.6° | 177.5° |
| C28 | C22 | C24 | H6 | 65.5° | 62.3° |
| C22 | C28 | H9 | H10 | 119.9° | 119.9° |
| C28 | C22 | N21 | H18 | 38.3° | 94.8° |
| C22 | C28 | N27 | H21 | 177.6° | 174.2° |
| N27 | C26 | C25 | H7 | 120.0° | 119.9° |
| N27 | C26 | C25 | H8 | 120.0° | 120.1° |
| N27 | C26 | C25 | C24 | 60.0° | 59.2° |
| N27 | C26 | H7 | H8 | 120.1° | 120.0° |
| C26 | N27 | C28 | H9 | 177.8° | 58.2° |
| C26 | N27 | C28 | H10 | 57.8° | 178.2° |
| N27 | C26 | C25 | H19 | 180.0° | 60.7° |
| N27 | C26 | C25 | H20 | 59.9° | 179.1° |
| C26 | C25 | C24 | C22 | 55.6° | 57.6° |
| C26 | C25 | C24 | H19 | 120.0° | 119.9° |
| C26 | C25 | C24 | H20 | 120.0° | 120.0° |
| C26 | C25 | C24 | H5 | 175.7° | 177.5° |
| C26 | C25 | C24 | H6 | 64.5° | 62.2° |
| C25 | C26 | H7 | H8 | 120.1° | 120.0° |
| C26 | C25 | H19 | H20 | 120.1° | 120.2° |
| C25 | C26 | N27 | H21 | 176.0° | 174.2° |
| C1 | C2 | C3 | C7 | 179.5° | 179.7° |
| C1 | C2 | C3 | C4 | 179.7° | 179.7° |
| C1 | C2 | C7 | O8 | 0.4° | 0.0° |
| C1 | C2 | C7 | C6 | 179.6° | 179.9° |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C1 | C2 | C3 | H14 | 0.3° | 0.1° |
| C22 | N21 | C19 | H18 | 121.6° | 179.9° |
| N21 | C22 | C24 | H4 | 120.2° | 120.1° |
| C22 | N21 | C19 | N18 | 178.6° | 0.0° |
| N21 | C22 | C24 | C25 | 173.9° | 177.6° |
| C22 | N21 | C19 | N20 | 0.6° | 179.7° |
| N21 | C22 | C24 | H5 | 66.0° | 62.4° |
| N21 | C22 | C24 | H6 | 53.8° | 57.7° |
| N21 | C22 | C28 | H9 | 64.0° | 59.1° |
| N21 | C22 | C28 | H10 | 55.9° | 60.8° |
| C19 | N21 | C22 | C24 | 156.5° | 155.0° |
| N21 | C19 | N18 | N20 | 179.3° | 179.7° |
| N21 | C19 | N18 | C17 | 179.8° | 180.0° |
| N21 | C19 | N20 | C15 | 179.3° | 179.7° |
| C19 | N21 | C22 | H4 | 36.9° | 35.0° |
| C2 | C3 | C4 | H14 | 180.0° | 179.7° |
| C2 | C3 | C4 | C5 | 0.2° | 0.6° |
| C3 | C2 | C7 | O8 | 179.9° | 179.7° |
| C3 | C2 | C7 | C6 | 1.0° | 0.2° |
| C2 | C3 | C4 | H1 | 179.8° | 179.8° |
| C3 | C2 | C1 | H11 | 89.7° | 89.7° |
| C3 | C2 | C1 | H12 | 150.2° | 30.3° |
| C3 | C2 | C1 | H13 | 30.2° | 150.2° |
| C4 | C3 | C2 | C7 | 0.8° | 0.5° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 0.3° | 0.3° |
| C3 | C4 | C5 | C32 | 179.7° | 179.8° |
| C22 | C24 | C25 | H5 | 120.1° | 119.9° |
| C22 | C24 | C25 | H6 | 120.1° | 119.8° |
| C22 | C24 | H5 | H6 | 119.8° | 120.1° |
| C24 | C22 | C28 | H9 | 177.2° | 60.9° |
| C24 | C22 | C28 | H10 | 62.9° | 179.2° |
| C24 | C22 | N21 | H18 | 81.9° | 25.1° |
| C22 | C24 | C25 | H19 | 175.6° | 62.3° |
| C22 | C24 | C25 | H20 | 64.3° | 177.6° |
| C2 | C7 | O8 | C6 | 179.2° | 180.0° |
| C2 | C7 | O8 | C9 | 61.7° | 90.1° |
| C2 | C7 | C6 | C5 | 0.5° | 0.0° |
| C2 | C7 | C6 | C29 | 179.5° | 180.0° |
| C7 | C2 | C1 | H11 | 89.7° | 90.0° |
| C7 | C2 | C1 | H12 | 30.3° | 150.0° |
| C7 | C2 | C1 | H13 | 150.3° | 30.0° |
| C7 | C2 | C3 | H14 | 179.2° | 179.8° |
| C19 | N18 | C17 | C16 | 0.2° | 0.2° |
| N18 | C19 | N20 | C15 | 0.1° | 0.0° |
| C19 | N18 | C17 | H3 | 179.8° | 179.7° |
| N18 | C19 | N21 | H18 | 57.0° | 180.0° |
| C17 | N18 | C19 | N20 | 0.6° | 0.3° |
| N18 | C17 | C16 | H3 | 180.0° | 180.0° |
| N18 | C17 | C16 | C15 | 0.6° | 0.1° |
| N18 | C17 | C16 | H17 | 179.4° | 179.9° |
| C25 | C24 | C22 | H4 | 65.9° | 62.3° |
| C25 | C24 | H5 | H6 | 119.8° | 120.2° |
| C24 | C25 | C26 | H7 | 60.0° | 179.1° |
| C24 | C25 | C26 | H8 | 180.0° | 60.9° |
| C24 | C25 | H19 | H20 | 120.1° | 120.1° |
| C19 | N20 | C15 | C16 | 0.7° | 0.3° |
| C19 | N20 | C15 | C10 | 178.5° | 180.0° |
| N20 | C19 | N21 | H18 | 122.2° | 0.2° |
| O36 | S34 | O35 | C37 | 121.6° | 123.0° |
| O36 | S34 | O35 | N33 | 125.4° | 123.0° |
| O36 | S34 | C37 | N33 | 113.8° | 113.6° |
| O36 | S34 | C37 | C38 | 2.1° | 129.8° |
| O36 | S34 | C37 | C42 | 179.1° | 49.9° |
| O36 | S34 | N33 | C32 | 17.0° | 178.7° |
| O36 | S34 | N33 | H26 | 104.9° | 1.3° |
| C17 | C16 | C15 | N20 | 1.0° | 0.3° |
| C17 | C16 | C15 | H17 | 180.0° | 179.9° |
| C17 | C16 | C15 | C10 | 178.8° | 179.9° |
| N20 | C15 | C16 | C10 | 177.7° | 179.7° |
| N20 | C15 | C10 | C9 | 171.0° | 0.3° |
| N20 | C15 | C10 | C11 | 10.9° | 179.5° |
| N20 | C15 | C16 | H17 | 179.0° | 179.8° |
| C16 | C15 | C10 | C9 | 11.3° | 180.0° |
| C16 | C15 | C10 | C11 | 166.8° | 0.3° |
| C15 | C16 | C17 | H3 | 179.4° | 180.0° |
| C4 | C5 | C6 | C7 | 0.1° | 0.0° |
| C4 | C5 | C6 | C32 | 180.0° | 179.9° |
| C4 | C5 | C6 | C29 | 179.9° | 179.9° |
| C4 | C5 | C32 | N33 | 0.6° | 0.1° |
| C4 | C5 | C32 | C31 | 179.9° | 179.9° |
| C5 | C4 | C3 | H14 | 179.8° | 179.8° |
| C15 | C10 | C9 | O8 | 2.7° | 0.2° |
| C15 | C10 | C9 | C11 | 178.0° | 179.7° |
| C15 | C10 | C9 | N14 | 179.2° | 179.7° |
| C15 | C10 | C11 | C12 | 179.6° | 179.7° |
| C15 | C10 | C11 | H15 | 0.4° | 0.2° |
| C10 | C15 | C16 | H17 | 1.2° | 0.0° |
| C7 | O8 | C9 | C10 | 166.8° | 180.0° |
| C7 | O8 | C9 | N14 | 11.3° | 0.1° |
| O8 | C7 | C6 | C5 | 179.7° | 180.0° |
| O8 | C7 | C6 | C29 | 0.2° | 0.1° |
| C6 | C7 | O8 | C9 | 119.1° | 89.9° |
| C7 | C6 | C5 | C29 | 180.0° | 179.9° |
| C7 | C6 | C5 | C32 | 179.9° | 179.9° |
| C7 | C6 | C29 | C30 | 179.8° | 179.9° |
| C7 | C6 | C29 | H23 | 0.2° | 0.0° |
| O8 | C9 | C10 | N14 | 178.1° | 179.9° |
| O8 | C9 | C10 | C11 | 179.3° | 179.9° |
| O8 | C9 | N14 | C13 | 178.4° | 179.9° |
| O35 | S34 | C37 | N33 | 114.8° | 113.5° |
| O35 | S34 | C37 | C38 | 133.5° | 3.1° |
| O35 | S34 | C37 | C42 | 47.7° | 177.1° |
| O35 | S34 | N33 | C32 | 150.1° | 45.8° |
| O35 | S34 | N33 | H26 | 28.3° | 134.2° |
| C9 | C10 | C11 | C12 | 1.4° | 0.0° |
| C10 | C9 | N14 | C13 | 0.3° | 0.0° |
| C9 | C10 | C11 | H15 | 178.6° | 180.0° |
| C11 | C10 | C9 | N14 | 1.2° | 0.0° |
| C10 | C11 | C12 | H15 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.8° | 0.0° |
| C10 | C11 | C12 | H16 | 179.2° | 180.0° |
| S34 | C37 | C38 | C39 | 179.7° | 180.0° |
| S34 | C37 | C38 | C42 | 178.9° | 179.8° |
| C37 | S34 | N33 | C32 | 94.8° | 67.8° |
| S34 | C37 | C42 | C41 | 179.8° | 179.7° |
| S34 | C37 | C42 | CL43 | 0.3° | 0.0° |
| C37 | S34 | N33 | H26 | 143.4° | 112.3° |
| S34 | C37 | C38 | H27 | 0.3° | 0.0° |
| N33 | S34 | C37 | C38 | 111.7° | 116.6° |
| S34 | N33 | C32 | C5 | 74.2° | 144.7° |
| N33 | S34 | C37 | C42 | 67.1° | 63.6° |
| S34 | N33 | C32 | H26 | 121.9° | 180.0° |
| S34 | N33 | C32 | C31 | 106.5° | 35.3° |
| C9 | N14 | C13 | C12 | 0.4° | 0.0° |
| C9 | N14 | C13 | H2 | 179.6° | 180.0° |
| C39 | C38 | C37 | H27 | 180.0° | 180.0° |
| C38 | C39 | C40 | H28 | 180.0° | 180.0° |
| C39 | C38 | C37 | C42 | 0.8° | 0.2° |
| C38 | C39 | C40 | C41 | 0.2° | 0.0° |
| C38 | C39 | C40 | H29 | 179.8° | 180.0° |
| C37 | C38 | C39 | C40 | 0.2° | 0.0° |
| C38 | C37 | C42 | C41 | 1.0° | 0.5° |
| C38 | C37 | C42 | CL43 | 179.2° | 179.8° |
| C37 | C38 | C39 | H28 | 179.8° | 180.0° |
| C11 | C12 | C13 | N14 | 0.1° | 0.1° |
| C11 | C12 | C13 | H16 | 180.0° | 179.9° |
| C11 | C12 | C13 | H2 | 179.9° | 180.0° |
| C6 | C5 | C32 | N33 | 179.4° | 180.0° |
| C6 | C5 | C32 | C31 | 0.1° | 0.0° |
| C5 | C6 | C29 | C30 | 0.2° | 0.0° |
| C6 | C5 | C4 | H1 | 179.7° | 180.0° |
| C5 | C6 | C29 | H23 | 179.8° | 180.0° |
| C32 | C5 | C6 | C29 | 0.1° | 0.0° |
| C5 | C32 | N33 | C31 | 179.3° | 180.0° |
| C5 | C32 | C31 | C30 | 0.3° | 0.0° |
| C32 | C5 | C4 | H1 | 0.3° | 0.1° |
| C5 | C32 | C31 | H25 | 179.7° | 180.0° |
| C5 | C32 | N33 | H26 | 47.7° | 35.3° |
| C6 | C29 | C30 | H23 | 180.0° | 180.0° |
| C6 | C29 | C30 | C31 | 0.4° | 0.0° |
| C6 | C29 | C30 | H24 | 179.6° | 179.9° |
| N14 | C13 | C12 | H2 | 180.0° | 180.0° |
| N14 | C13 | C12 | H16 | 179.9° | 180.0° |
| C39 | C40 | C41 | H29 | 180.0° | 179.9° |
| C39 | C40 | C41 | C42 | 0.0° | 0.3° |
| C40 | C39 | C38 | H27 | 179.8° | 180.0° |
| C39 | C40 | C41 | H30 | 180.0° | 180.0° |
| C37 | C42 | C41 | C40 | 0.6° | 0.5° |
| C37 | C42 | C41 | CL43 | 179.8° | 179.8° |
| C42 | C37 | C38 | H27 | 179.2° | 179.8° |
| C37 | C42 | C41 | H30 | 179.4° | 179.8° |
| C13 | C12 | C11 | H15 | 179.2° | 179.9° |
| N33 | C32 | C31 | C30 | 179.6° | 180.0° |
| N33 | C32 | C31 | H25 | 0.4° | 0.1° |
| C32 | C31 | C30 | C29 | 0.4° | 0.0° |
| C32 | C31 | C30 | H25 | 180.0° | 180.0° |
| C32 | C31 | C30 | H24 | 179.6° | 179.9° |
| C31 | C32 | N33 | H26 | 131.6° | 144.7° |
| C29 | C30 | C31 | H24 | 180.0° | 179.9° |
| C29 | C30 | C31 | H25 | 179.5° | 180.0° |
| C40 | C41 | C42 | H30 | 180.0° | 179.7° |
| C40 | C41 | C42 | CL43 | 179.6° | 179.7° |
| C41 | C40 | C39 | H28 | 179.8° | 180.0° |
| C42 | C41 | C40 | H29 | 180.0° | 179.8° |
| CL43 | C42 | C41 | H30 | 0.4° | 0.0° |
| C31 | C30 | C29 | H23 | 179.6° | 180.0° |
| H1 | C4 | C3 | H14 | 0.2° | 0.1° |
| H2 | C13 | C12 | H16 | 0.1° | 0.0° |
| H3 | C17 | C16 | H17 | 0.6° | 0.1° |
| H4 | C22 | C24 | H5 | 54.2° | 57.6° |
| H4 | C22 | C24 | H6 | 174.0° | 177.8° |
| H4 | C22 | C28 | H9 | 56.8° | 179.3° |
| H4 | C22 | C28 | H10 | 176.7° | 59.3° |
| H4 | C22 | N21 | H18 | 158.5° | 145.1° |
| H5 | C24 | C25 | H19 | 64.4° | 57.6° |
| H5 | C24 | C25 | H20 | 55.7° | 62.5° |
| H6 | C24 | C25 | H19 | 55.5° | 177.8° |
| H6 | C24 | C25 | H20 | 175.6° | 57.7° |
| H7 | C26 | C25 | H19 | 60.0° | 59.2° |
| H7 | C26 | C25 | H20 | 179.9° | 60.9° |
| H7 | C26 | N27 | H21 | 64.0° | 54.2° |
| H8 | C26 | C25 | H19 | 60.1° | 179.2° |
| H8 | C26 | C25 | H20 | 60.0° | 59.1° |
| H8 | C26 | N27 | H21 | 56.1° | 65.8° |
| H9 | C28 | N27 | H21 | 57.6° | 65.9° |
| H10 | C28 | N27 | H21 | 62.3° | 54.1° |
| H11 | C1 | H12 | H13 | 120.0° | 120.0° |
| H15 | C11 | C12 | H16 | 0.8° | 0.0° |
| H23 | C29 | C30 | H24 | 0.4° | 0.1° |
| H24 | C30 | C31 | H25 | 0.5° | 0.1° |
| H27 | C38 | C39 | H28 | 0.2° | 0.0° |
| H28 | C39 | C40 | H29 | 0.2° | 0.0° |
| H29 | C40 | C41 | H30 | 0.0° | 0.1° |
