JT1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F37 | C36 | sing | 1.40Å | 1.33Å | |
| F47 | C24 | sing | 1.35Å | 1.33Å | |
| O35 | C36 | sing | 1.43Å | 1.40Å | |
| O35 | C23 | sing | 1.36Å | 1.35Å | |
| C36 | F38 | sing | 1.40Å | 1.31Å | |
| C36 | F39 | sing | 1.40Å | 1.32Å | |
| C24 | C23 | doub | 1.39Å | 1.41Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.37Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.52Å | |
| C19 | N18 | sing | 1.47Å | 1.46Å | |
| O5 | S3 | doub | 1.42Å | 1.41Å | |
| N18 | C16 | sing | 1.35Å | 1.39Å | |
| O6 | S3 | doub | 1.42Å | 1.50Å | |
| S3 | N2 | sing | 1.66Å | 1.61Å | |
| S3 | C4 | sing | 1.76Å | 1.70Å | |
| C16 | O17 | doub | 1.21Å | 1.29Å | |
| C16 | C12 | sing | 1.51Å | 1.55Å | |
| N2 | C12 | sing | 1.47Å | 1.47Å | |
| N2 | C15 | sing | 1.47Å | 1.45Å | |
| C11 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.57Å | |
| C4 | C7 | sing | 1.38Å | 1.42Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C10 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.44Å | Aromatic |
| C13 | N1 | sing | 1.47Å | 1.44Å | |
| C9 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C40 | sing | 1.51Å | 1.52Å | |
| F42 | C40 | sing | 1.40Å | 1.39Å | |
| C14 | N1 | sing | 1.47Å | 1.49Å | |
| N1 | C26 | sing | 1.38Å | 1.39Å | |
| C40 | F41 | sing | 1.40Å | 1.35Å | |
| C40 | F43 | sing | 1.40Å | 1.33Å | |
| C26 | S27 | sing | 1.76Å | 1.79Å | Aromatic |
| C26 | N28 | doub | 1.29Å | 1.32Å | Aromatic |
| S27 | C30 | sing | 1.76Å | 1.68Å | Aromatic |
| N28 | C29 | sing | 1.33Å | 1.40Å | Aromatic |
| C30 | C29 | doub | 1.40Å | 1.43Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | N34 | sing | 1.35Å | 1.39Å | Aromatic |
| N34 | C33 | doub | 1.31Å | 1.35Å | Aromatic |
| C31 | N32 | doub | 1.32Å | 1.35Å | Aromatic |
| C33 | N32 | sing | 1.32Å | 1.35Å | Aromatic |
| C33 | C44 | sing | 1.51Å | 1.51Å | |
| C44 | C46 | sing | 1.53Å | 1.49Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| C46 | C45 | sing | 1.53Å | 1.51Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| N18 | H12 | sing | 0.97Å | 1.00Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å | |
| C31 | H18 | sing | 1.08Å | 1.08Å | |
| C44 | H19 | sing | 1.09Å | 1.10Å | |
| C45 | H20 | sing | 1.09Å | 1.10Å | |
| C45 | H21 | sing | 1.09Å | 1.10Å | |
| C46 | H22 | sing | 1.09Å | 1.10Å | |
| C46 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F37 | C36 | O35 | 107.8° | 109.4° |
| F37 | C36 | F38 | 109.1° | 109.4° |
| F37 | C36 | F39 | 109.2° | 109.4° |
| F47 | C24 | C23 | 116.5° | 120.1° |
| F47 | C24 | C25 | 123.3° | 120.0° |
| C36 | O35 | C23 | 119.8° | 117.0° |
| O35 | C36 | F38 | 110.0° | 109.5° |
| O35 | C36 | F39 | 113.8° | 109.5° |
| O35 | C23 | C24 | 115.5° | 120.1° |
| O35 | C23 | C22 | 123.0° | 120.0° |
| F38 | C36 | F39 | 106.9° | 109.5° |
| C23 | C24 | C25 | 120.1° | 119.9° |
| C24 | C23 | C22 | 121.5° | 119.9° |
| C24 | C25 | C20 | 119.3° | 120.0° |
| C24 | C25 | H17 | 120.3° | 120.0° |
| C23 | C22 | C21 | 118.0° | 119.9° |
| C23 | C22 | H16 | 121.0° | 120.0° |
| C25 | C20 | C21 | 121.1° | 120.1° |
| C25 | C20 | C19 | 120.7° | 120.0° |
| C20 | C25 | H17 | 120.4° | 119.9° |
| C22 | C21 | C20 | 119.7° | 120.1° |
| C22 | C21 | H15 | 120.2° | 119.9° |
| C21 | C22 | H16 | 121.0° | 120.1° |
| C21 | C20 | C19 | 118.2° | 119.9° |
| C20 | C21 | H15 | 120.1° | 120.0° |
| C20 | C19 | N18 | 117.8° | 109.5° |
| C20 | C19 | H13 | 107.3° | 109.5° |
| C20 | C19 | H14 | 107.4° | 109.5° |
| C19 | N18 | C16 | 116.0° | 120.0° |
| C19 | N18 | H12 | 122.0° | 119.9° |
| N18 | C19 | H13 | 107.4° | 109.4° |
| N18 | C19 | H14 | 107.3° | 109.5° |
| O5 | S3 | O6 | 119.0° | 123.2° |
| O5 | S3 | N2 | 108.3° | 106.4° |
| O5 | S3 | C4 | 108.3° | 106.4° |
| N18 | C16 | O17 | 121.2° | 120.0° |
| N18 | C16 | C12 | 116.9° | 120.0° |
| C16 | N18 | H12 | 122.0° | 120.0° |
| O6 | S3 | N2 | 109.2° | 106.4° |
| O6 | S3 | C4 | 104.0° | 106.4° |
| N2 | S3 | C4 | 107.6° | 107.2° |
| S3 | N2 | C12 | 115.7° | 120.9° |
| S3 | N2 | C15 | 121.8° | 120.9° |
| S3 | C4 | C11 | 118.9° | 120.0° |
| S3 | C4 | C7 | 119.3° | 120.0° |
| O17 | C16 | C12 | 121.7° | 120.0° |
| C16 | C12 | N2 | 112.4° | 109.6° |
| C16 | C12 | C13 | 108.3° | 109.6° |
| C16 | C12 | H5 | 109.9° | 109.8° |
| C12 | N2 | C15 | 122.5° | 118.2° |
| N2 | C12 | C13 | 105.5° | 108.5° |
| N2 | C12 | H5 | 111.0° | 109.6° |
| N2 | C15 | C14 | 109.5° | 108.5° |
| N2 | C15 | H10 | 109.4° | 109.6° |
| N2 | C15 | H11 | 109.5° | 109.6° |
| C4 | C11 | C10 | 121.6° | 120.0° |
| C11 | C4 | C7 | 121.2° | 120.0° |
| C4 | C11 | H4 | 119.2° | 120.0° |
| C11 | C10 | C9 | 116.4° | 120.0° |
| C11 | C10 | H3 | 121.8° | 120.0° |
| C10 | C11 | H4 | 119.2° | 120.0° |
| C12 | C13 | N1 | 116.9° | 109.3° |
| C13 | C12 | H5 | 109.6° | 109.6° |
| C12 | C13 | H6 | 107.6° | 109.5° |
| C12 | C13 | H7 | 107.6° | 109.5° |
| C4 | C7 | C8 | 118.1° | 120.0° |
| C4 | C7 | H1 | 121.0° | 120.0° |
| C15 | C14 | N1 | 110.4° | 109.3° |
| C15 | C14 | H8 | 109.2° | 109.5° |
| C15 | C14 | H9 | 109.2° | 109.5° |
| C14 | C15 | H10 | 109.5° | 109.6° |
| C14 | C15 | H11 | 109.5° | 109.7° |
| C10 | C9 | C8 | 125.0° | 120.0° |
| C10 | C9 | C40 | 115.3° | 120.0° |
| C9 | C10 | H3 | 121.8° | 120.0° |
| C7 | C8 | C9 | 117.6° | 120.0° |
| C8 | C7 | H1 | 120.9° | 120.0° |
| C7 | C8 | H2 | 121.2° | 119.9° |
| C13 | N1 | C14 | 118.2° | 111.3° |
| C13 | N1 | C26 | 120.5° | 111.0° |
| N1 | C13 | H6 | 107.6° | 109.5° |
| N1 | C13 | H7 | 107.6° | 109.6° |
| C8 | C9 | C40 | 119.6° | 120.0° |
| C9 | C8 | H2 | 121.2° | 120.1° |
| C9 | C40 | F42 | 111.4° | 109.5° |
| C9 | C40 | F41 | 116.3° | 109.5° |
| C9 | C40 | F43 | 120.2° | 109.4° |
| F42 | C40 | F41 | 104.5° | 109.5° |
| F42 | C40 | F43 | 99.9° | 109.5° |
| C14 | N1 | C26 | 118.3° | 111.0° |
| N1 | C14 | H8 | 109.2° | 109.5° |
| N1 | C14 | H9 | 109.3° | 109.5° |
| N1 | C26 | S27 | 120.9° | 124.9° |
| N1 | C26 | N28 | 121.0° | 124.8° |
| F41 | C40 | F43 | 102.3° | 109.5° |
| S27 | C26 | N28 | 117.9° | 110.3° |
| C26 | S27 | C30 | 87.1° | 90.3° |
| C26 | N28 | C29 | 107.7° | 118.0° |
| S27 | C30 | C29 | 112.9° | 108.4° |
| S27 | C30 | C31 | 132.5° | 132.3° |
| N28 | C29 | C30 | 114.4° | 113.0° |
| N28 | C29 | N34 | 120.5° | 129.6° |
| C29 | C30 | C31 | 114.6° | 119.3° |
| C30 | C29 | N34 | 125.0° | 117.4° |
| C30 | C31 | N32 | 120.9° | 119.0° |
| C30 | C31 | H18 | 119.5° | 120.5° |
| C29 | N34 | C33 | 113.7° | 120.9° |
| N34 | C33 | N32 | 124.9° | 122.6° |
| N34 | C33 | C44 | 113.5° | 118.7° |
| C31 | N32 | C33 | 120.7° | 120.7° |
| N32 | C31 | H18 | 119.5° | 120.5° |
| N32 | C33 | C44 | 121.5° | 118.7° |
| C33 | C44 | C46 | 121.1° | 117.5° |
| C33 | C44 | C45 | 119.8° | 117.5° |
| C33 | C44 | H19 | 115.0° | 115.6° |
| C46 | C44 | C45 | 60.0° | 60.0° |
| C44 | C46 | C45 | 61.3° | 60.0° |
| C46 | C44 | H19 | 115.3° | 117.5° |
| C44 | C46 | H22 | 119.8° | 117.5° |
| C44 | C46 | H23 | 119.8° | 117.5° |
| C44 | C45 | C46 | 58.7° | 60.0° |
| C45 | C44 | H19 | 114.6° | 117.5° |
| C44 | C45 | H20 | 120.2° | 117.5° |
| C44 | C45 | H21 | 120.2° | 117.5° |
| C46 | C45 | H20 | 120.2° | 117.5° |
| C46 | C45 | H21 | 120.2° | 117.5° |
| C45 | C46 | H22 | 119.8° | 117.5° |
| C45 | C46 | H23 | 119.8° | 117.5° |
| H6 | C13 | H7 | 109.4° | 109.5° |
| H8 | C14 | H9 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.4° | 109.8° |
| H13 | C19 | H14 | 109.5° | 109.5° |
| H20 | C45 | H21 | 109.4° | 115.6° |
| H22 | C46 | H23 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F37 | C36 | O35 | F38 | 118.9° | 120.0° |
| F37 | C36 | O35 | F39 | 121.2° | 120.0° |
| F37 | C36 | O35 | C23 | 175.8° | 60.1° |
| F37 | C36 | F38 | F39 | 118.0° | 119.9° |
| F47 | C24 | C23 | O35 | 2.5° | 0.1° |
| F47 | C24 | C23 | C25 | 176.4° | 179.7° |
| F47 | C24 | C23 | C22 | 179.8° | 180.0° |
| F47 | C24 | C25 | C20 | 175.1° | 179.7° |
| F47 | C24 | C25 | H17 | 4.9° | 0.3° |
| O35 | C36 | F38 | F39 | 124.0° | 120.1° |
| C36 | O35 | C23 | C24 | 93.9° | 180.0° |
| C36 | O35 | C23 | C22 | 83.4° | 0.1° |
| C23 | O35 | C36 | F38 | 56.9° | 59.9° |
| C23 | O35 | C36 | F39 | 63.0° | 180.0° |
| O35 | C23 | C24 | C22 | 177.3° | 179.9° |
| O35 | C23 | C24 | C25 | 178.9° | 179.8° |
| O35 | C23 | C22 | C21 | 175.6° | 180.0° |
| O35 | C23 | C22 | H16 | 4.3° | 0.1° |
| C23 | C24 | C25 | C20 | 1.1° | 0.5° |
| C24 | C23 | C22 | C21 | 7.2° | 0.1° |
| C24 | C23 | C22 | H16 | 172.8° | 180.0° |
| C23 | C24 | C25 | H17 | 178.9° | 180.0° |
| C25 | C24 | C23 | C22 | 3.8° | 0.3° |
| C24 | C25 | C20 | H17 | 180.0° | 179.5° |
| C24 | C25 | C20 | C21 | 2.3° | 0.6° |
| C24 | C25 | C20 | C19 | 179.2° | 179.8° |
| C23 | C22 | C21 | H16 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 5.9° | 0.1° |
| C23 | C22 | C21 | H15 | 174.1° | 180.0° |
| C25 | C20 | C21 | C22 | 1.3° | 0.3° |
| C25 | C20 | C21 | C19 | 178.6° | 179.7° |
| C25 | C20 | C19 | N18 | 65.7° | 90.3° |
| C25 | C20 | C19 | H13 | 173.1° | 149.7° |
| C25 | C20 | C19 | H14 | 55.5° | 29.7° |
| C25 | C20 | C21 | H15 | 178.7° | 179.7° |
| C22 | C21 | C20 | H15 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 177.3° | 180.0° |
| C21 | C20 | C19 | N18 | 112.9° | 90.0° |
| C21 | C20 | C19 | H13 | 8.3° | 29.9° |
| C21 | C20 | C19 | H14 | 125.9° | 150.0° |
| C20 | C21 | C22 | H16 | 174.1° | 180.0° |
| C21 | C20 | C25 | H17 | 177.7° | 180.0° |
| C20 | C19 | N18 | H13 | 121.2° | 120.0° |
| C20 | C19 | N18 | H14 | 121.2° | 120.0° |
| C20 | C19 | N18 | C16 | 82.0° | 180.0° |
| C20 | C19 | N18 | H12 | 98.0° | 0.0° |
| C20 | C19 | H13 | H14 | 116.2° | 120.1° |
| C19 | C20 | C21 | H15 | 2.7° | 0.1° |
| C19 | C20 | C25 | H17 | 0.9° | 0.3° |
| C19 | N18 | C16 | H12 | 180.0° | 180.0° |
| C19 | N18 | C16 | O17 | 13.5° | 0.0° |
| C19 | N18 | C16 | C12 | 170.2° | 180.0° |
| N18 | C19 | H13 | H14 | 116.2° | 119.9° |
| O5 | S3 | O6 | N2 | 124.9° | 122.9° |
| O5 | S3 | O6 | C4 | 120.5° | 123.0° |
| O5 | S3 | N2 | C4 | 116.9° | 113.6° |
| O5 | S3 | N2 | C12 | 40.2° | 14.4° |
| O5 | S3 | N2 | C15 | 143.7° | 165.6° |
| O5 | S3 | C4 | C11 | 11.9° | 156.2° |
| O5 | S3 | C4 | C7 | 158.6° | 23.5° |
| N18 | C16 | O17 | C12 | 176.1° | 180.0° |
| N18 | C16 | C12 | N2 | 15.4° | 113.9° |
| N18 | C16 | C12 | C13 | 131.6° | 127.1° |
| N18 | C16 | C12 | H5 | 108.7° | 6.6° |
| C16 | N18 | C19 | H13 | 39.2° | 60.0° |
| C16 | N18 | C19 | H14 | 156.8° | 59.9° |
| O6 | S3 | N2 | C4 | 112.2° | 113.5° |
| O6 | S3 | N2 | C12 | 171.1° | 147.3° |
| O6 | S3 | N2 | C15 | 12.8° | 32.7° |
| O6 | S3 | C4 | C11 | 139.4° | 23.2° |
| O6 | S3 | C4 | C7 | 31.1° | 156.4° |
| S3 | N2 | C12 | C16 | 115.3° | 9.1° |
| S3 | N2 | C12 | C15 | 176.0° | 180.0° |
| N2 | S3 | C4 | C11 | 104.9° | 90.3° |
| S3 | N2 | C12 | C13 | 126.9° | 128.8° |
| N2 | S3 | C4 | C7 | 84.6° | 90.1° |
| S3 | N2 | C15 | C14 | 120.3° | 128.8° |
| S3 | N2 | C12 | H5 | 8.3° | 111.5° |
| S3 | N2 | C15 | H10 | 119.6° | 9.1° |
| S3 | N2 | C15 | H11 | 0.3° | 111.5° |
| C4 | S3 | N2 | C12 | 76.7° | 99.1° |
| C4 | S3 | N2 | C15 | 99.4° | 80.8° |
| S3 | C4 | C11 | C7 | 170.3° | 179.7° |
| S3 | C4 | C11 | C10 | 176.6° | 179.8° |
| S3 | C4 | C7 | C8 | 175.7° | 180.0° |
| S3 | C4 | C7 | H1 | 4.3° | 0.1° |
| S3 | C4 | C11 | H4 | 3.4° | 0.0° |
| O17 | C16 | C12 | N2 | 160.8° | 66.1° |
| O17 | C16 | C12 | C13 | 44.7° | 52.9° |
| O17 | C16 | C12 | H5 | 75.1° | 173.4° |
| O17 | C16 | N18 | H12 | 166.4° | 180.0° |
| C16 | C12 | N2 | C13 | 117.8° | 119.7° |
| C16 | C12 | N2 | H5 | 123.5° | 120.6° |
| C16 | C12 | N2 | C15 | 68.7° | 170.9° |
| C16 | C12 | C13 | H5 | 119.9° | 120.6° |
| C16 | C12 | C13 | N1 | 80.2° | 173.5° |
| C16 | C12 | C13 | H6 | 158.7° | 53.6° |
| C16 | C12 | C13 | H7 | 40.9° | 66.5° |
| C12 | C16 | N18 | H12 | 9.8° | 0.0° |
| N2 | C12 | C13 | H5 | 119.5° | 119.7° |
| C12 | N2 | C15 | C14 | 55.5° | 51.2° |
| N2 | C12 | C13 | N1 | 40.4° | 53.8° |
| N2 | C12 | C13 | H6 | 80.7° | 66.1° |
| N2 | C12 | C13 | H7 | 161.5° | 173.8° |
| C12 | N2 | C15 | H10 | 64.6° | 170.9° |
| C12 | N2 | C15 | H11 | 175.5° | 68.5° |
| C15 | N2 | C12 | C13 | 49.2° | 51.2° |
| N2 | C15 | C14 | H10 | 120.0° | 119.7° |
| N2 | C15 | C14 | H11 | 120.0° | 119.7° |
| N2 | C15 | C14 | N1 | 47.5° | 53.8° |
| C15 | N2 | C12 | H5 | 167.8° | 68.5° |
| N2 | C15 | C14 | H8 | 167.7° | 173.8° |
| N2 | C15 | C14 | H9 | 72.6° | 66.1° |
| N2 | C15 | H10 | H11 | 120.0° | 120.5° |
| C4 | C11 | C10 | H4 | 180.0° | 179.8° |
| C4 | C11 | C10 | C9 | 3.3° | 0.5° |
| C11 | C4 | C7 | C8 | 5.5° | 0.3° |
| C11 | C4 | C7 | H1 | 174.5° | 179.8° |
| C4 | C11 | C10 | H3 | 176.7° | 179.8° |
| C10 | C11 | C4 | C7 | 6.3° | 0.5° |
| C11 | C10 | C9 | H3 | 180.0° | 179.7° |
| C11 | C10 | C9 | C8 | 0.2° | 0.2° |
| C11 | C10 | C9 | C40 | 176.1° | 179.8° |
| C12 | C13 | N1 | H6 | 121.1° | 119.9° |
| C12 | C13 | N1 | H7 | 121.1° | 120.0° |
| C12 | C13 | N1 | C14 | 44.6° | 63.1° |
| C12 | C13 | N1 | C26 | 115.8° | 172.7° |
| C12 | C13 | H6 | H7 | 116.6° | 120.0° |
| C4 | C7 | C8 | H1 | 180.0° | 179.9° |
| C4 | C7 | C8 | C9 | 2.0° | 0.0° |
| C4 | C7 | C8 | H2 | 178.0° | 180.0° |
| C7 | C4 | C11 | H4 | 173.7° | 179.7° |
| C15 | C14 | N1 | C13 | 46.6° | 63.1° |
| C15 | C14 | N1 | H8 | 120.1° | 119.9° |
| C15 | C14 | N1 | H9 | 120.1° | 120.0° |
| C15 | C14 | N1 | C26 | 114.2° | 172.7° |
| C15 | C14 | H8 | H9 | 119.6° | 120.1° |
| C14 | C15 | H10 | H11 | 120.0° | 120.5° |
| C10 | C9 | C8 | C7 | 0.9° | 0.0° |
| C10 | C9 | C8 | C40 | 175.7° | 180.0° |
| C10 | C9 | C40 | F42 | 76.3° | 30.0° |
| C10 | C9 | C40 | F41 | 43.2° | 90.0° |
| C10 | C9 | C40 | F43 | 167.5° | 150.0° |
| C10 | C9 | C8 | H2 | 179.1° | 180.0° |
| C9 | C10 | C11 | H4 | 176.7° | 179.7° |
| C7 | C8 | C9 | H2 | 180.0° | 180.0° |
| C7 | C8 | C9 | C40 | 176.5° | 180.0° |
| C13 | N1 | C14 | C26 | 160.8° | 124.1° |
| C13 | N1 | C26 | S27 | 11.4° | 180.0° |
| C13 | N1 | C26 | N28 | 172.8° | 0.3° |
| N1 | C13 | C12 | H5 | 159.9° | 65.9° |
| N1 | C13 | H6 | H7 | 116.6° | 120.2° |
| C13 | N1 | C14 | H8 | 166.8° | 176.9° |
| C13 | N1 | C14 | H9 | 73.5° | 56.8° |
| C8 | C9 | C40 | F42 | 99.8° | 150.0° |
| C8 | C9 | C40 | F41 | 140.7° | 90.0° |
| C8 | C9 | C40 | F43 | 16.5° | 30.0° |
| C9 | C8 | C7 | H1 | 178.0° | 180.0° |
| C8 | C9 | C10 | H3 | 179.7° | 180.0° |
| C9 | C40 | F42 | F41 | 126.3° | 120.1° |
| C9 | C40 | F42 | F43 | 128.1° | 120.0° |
| C9 | C40 | F41 | F43 | 133.1° | 119.9° |
| C40 | C9 | C8 | H2 | 3.4° | 0.0° |
| C40 | C9 | C10 | H3 | 3.9° | 0.0° |
| F42 | C40 | F41 | F43 | 103.8° | 120.0° |
| C14 | N1 | C26 | S27 | 171.8° | 55.7° |
| C14 | N1 | C26 | N28 | 12.4° | 124.6° |
| C14 | N1 | C13 | H6 | 76.4° | 56.8° |
| C14 | N1 | C13 | H7 | 165.7° | 176.9° |
| N1 | C14 | H8 | H9 | 119.6° | 120.1° |
| N1 | C14 | C15 | H10 | 72.5° | 173.5° |
| N1 | C14 | C15 | H11 | 167.6° | 65.9° |
| N1 | C26 | S27 | N28 | 176.0° | 179.7° |
| N1 | C26 | S27 | C30 | 177.9° | 180.0° |
| N1 | C26 | N28 | C29 | 177.0° | 180.0° |
| C26 | N1 | C13 | H6 | 123.2° | 67.3° |
| C26 | N1 | C13 | H7 | 5.3° | 52.8° |
| C26 | N1 | C14 | H8 | 5.9° | 52.8° |
| C26 | N1 | C14 | H9 | 125.7° | 67.3° |
| S27 | C26 | N28 | C29 | 1.0° | 0.3° |
| C26 | S27 | C30 | C29 | 2.1° | 0.2° |
| C26 | S27 | C30 | C31 | 178.3° | 180.0° |
| N28 | C26 | S27 | C30 | 1.9° | 0.2° |
| C26 | N28 | C29 | C30 | 0.7° | 0.1° |
| C26 | N28 | C29 | N34 | 177.4° | 180.0° |
| S27 | C30 | C29 | N28 | 2.2° | 0.1° |
| S27 | C30 | C29 | C31 | 179.6° | 179.8° |
| S27 | C30 | C29 | N34 | 178.7° | 179.8° |
| S27 | C30 | C31 | N32 | 177.9° | 180.0° |
| S27 | C30 | C31 | H18 | 2.1° | 0.0° |
| N28 | C29 | C30 | N34 | 176.5° | 179.9° |
| N28 | C29 | C30 | C31 | 178.2° | 179.9° |
| N28 | C29 | N34 | C33 | 178.5° | 179.7° |
| C30 | C29 | N34 | C33 | 2.2° | 0.4° |
| C29 | C30 | C31 | N32 | 1.6° | 0.2° |
| C29 | C30 | C31 | H18 | 178.4° | 179.8° |
| C31 | C30 | C29 | N34 | 1.6° | 0.0° |
| C30 | C31 | N32 | H18 | 180.0° | 180.0° |
| C30 | C31 | N32 | C33 | 4.2° | 0.0° |
| C29 | N34 | C33 | N32 | 0.5° | 0.6° |
| C29 | N34 | C33 | C44 | 179.8° | 179.7° |
| N34 | C33 | N32 | C31 | 3.7° | 0.4° |
| N34 | C33 | N32 | C44 | 179.2° | 179.7° |
| N34 | C33 | C44 | C46 | 152.2° | 119.6° |
| N34 | C33 | C44 | C45 | 136.9° | 171.7° |
| N34 | C33 | C44 | H19 | 5.9° | 26.0° |
| C31 | N32 | C33 | C44 | 177.1° | 179.9° |
| N32 | C33 | C44 | C46 | 28.5° | 60.0° |
| N32 | C33 | C44 | C45 | 42.5° | 8.6° |
| C33 | N32 | C31 | H18 | 175.8° | 180.0° |
| N32 | C33 | C44 | H19 | 174.7° | 154.3° |
| C33 | C44 | C46 | C45 | 108.8° | 107.5° |
| C33 | C44 | C46 | H19 | 146.2° | 145.0° |
| C33 | C44 | C45 | H19 | 143.0° | 145.0° |
| C33 | C44 | C45 | H20 | 139.9° | 145.1° |
| C33 | C44 | C45 | H21 | 1.8° | 0.0° |
| C33 | C44 | C46 | H22 | 1.0° | 0.0° |
| C33 | C44 | C46 | H23 | 141.4° | 145.0° |
| C46 | C44 | C45 | H19 | 106.1° | 107.5° |
| C44 | C46 | C45 | H22 | 109.8° | 107.5° |
| C44 | C46 | C45 | H23 | 109.8° | 107.5° |
| C46 | C44 | C45 | H20 | 109.1° | 107.5° |
| C46 | C44 | C45 | H21 | 109.1° | 107.5° |
| C44 | C46 | H22 | H23 | 144.0° | 145.7° |
| C44 | C45 | H20 | H21 | 145.4° | 145.7° |
| C46 | C45 | H20 | H21 | 145.4° | 145.7° |
| C45 | C46 | H22 | H23 | 144.0° | 145.6° |
| H1 | C7 | C8 | H2 | 2.0° | 0.0° |
| H3 | C10 | C11 | H4 | 3.3° | 0.0° |
| H5 | C12 | C13 | H6 | 38.8° | 174.2° |
| H5 | C12 | C13 | H7 | 79.0° | 54.1° |
| H8 | C14 | C15 | H10 | 47.7° | 66.5° |
| H8 | C14 | C15 | H11 | 72.3° | 54.1° |
| H9 | C14 | C15 | H10 | 167.4° | 53.6° |
| H9 | C14 | C15 | H11 | 47.4° | 174.2° |
| H12 | N18 | C19 | H13 | 140.8° | 120.0° |
| H12 | N18 | C19 | H14 | 23.2° | 120.1° |
| H15 | C21 | C22 | H16 | 5.9° | 0.0° |
| H19 | C44 | C45 | H20 | 3.0° | 0.0° |
| H19 | C44 | C45 | H21 | 144.8° | 145.0° |
| H19 | C44 | C46 | H22 | 145.2° | 145.1° |
| H19 | C44 | C46 | H23 | 4.9° | 0.0° |
| H20 | C45 | C46 | H22 | 141.1° | 145.0° |
| H20 | C45 | C46 | H23 | 0.7° | 0.0° |
| H21 | C45 | C46 | H22 | 0.7° | 0.0° |
| H21 | C45 | C46 | H23 | 141.1° | 145.0° |
