A1H1I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C46 | C45 | doub | 1.38Å | 1.38Å | Aromatic |
| C46 | C47 | sing | 1.38Å | 1.39Å | Aromatic |
| C45 | C44 | sing | 1.38Å | 1.38Å | Aromatic |
| C47 | C42 | doub | 1.38Å | 1.39Å | Aromatic |
| C44 | C43 | doub | 1.38Å | 1.39Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.39Å | Aromatic |
| C42 | C41 | sing | 1.51Å | 1.51Å | |
| C41 | C40 | sing | 1.53Å | 1.54Å | |
| O7 | C8 | doub | 1.22Å | 1.22Å | |
| C40 | C8 | sing | 1.50Å | 1.53Å | |
| C40 | N27 | sing | 1.49Å | 1.46Å | |
| CL33 | C32 | sing | 1.74Å | 1.73Å | |
| C8 | N9 | sing | 1.36Å | 1.35Å | |
| C32 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| N27 | C26 | sing | 1.49Å | 1.46Å | |
| N27 | C28 | sing | 1.35Å | 1.36Å | |
| C34 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| O39 | C28 | doub | 1.21Å | 1.21Å | |
| O30 | C31 | sing | 1.36Å | 1.37Å | |
| O30 | C29 | sing | 1.43Å | 1.42Å | |
| C28 | C29 | sing | 1.51Å | 1.52Å | |
| C31 | C38 | doub | 1.39Å | 1.39Å | Aromatic |
| C35 | CL36 | sing | 1.74Å | 1.74Å | |
| C35 | C37 | doub | 1.38Å | 1.38Å | Aromatic |
| N14 | C12 | doub | 1.29Å | 1.27Å | |
| C12 | N11 | sing | 1.37Å | 1.33Å | |
| N9 | N11 | sing | 1.44Å | 1.38Å | |
| N9 | C10 | sing | 1.46Å | 1.47Å | |
| C38 | C37 | sing | 1.38Å | 1.38Å | Aromatic |
| N11 | C15 | sing | 1.49Å | 1.47Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| O23 | C24 | sing | 1.43Å | 1.43Å | |
| O23 | C22 | sing | 1.36Å | 1.38Å | |
| C16 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C20 | sing | 1.38Å | 1.37Å | Aromatic |
| C18 | F19 | sing | 1.35Å | 1.35Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C10 | H10C | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C41 | H41B | sing | 1.09Å | 1.10Å | |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C45 | H45 | sing | 1.08Å | 1.08Å | |
| C46 | H46 | sing | 1.08Å | 1.08Å | |
| C47 | H47 | sing | 1.08Å | 1.08Å | |
| N14 | H3 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C45 | C46 | C47 | 120.4° | 120.0° |
| C46 | C45 | C44 | 119.5° | 120.0° |
| C46 | C45 | H45 | 120.2° | 120.0° |
| C45 | C46 | H46 | 119.8° | 120.0° |
| C46 | C47 | C42 | 120.6° | 120.0° |
| C47 | C46 | H46 | 119.8° | 120.0° |
| C46 | C47 | H47 | 119.7° | 120.0° |
| C45 | C44 | C43 | 120.3° | 120.0° |
| C45 | C44 | H44 | 119.8° | 120.0° |
| C44 | C45 | H45 | 120.2° | 120.0° |
| C47 | C42 | C43 | 118.4° | 120.0° |
| C47 | C42 | C41 | 120.8° | 120.0° |
| C42 | C47 | H47 | 119.7° | 120.1° |
| C44 | C43 | C42 | 120.8° | 120.0° |
| C44 | C43 | H43 | 119.6° | 120.0° |
| C43 | C44 | H44 | 119.8° | 120.0° |
| C43 | C42 | C41 | 120.5° | 120.0° |
| C42 | C43 | H43 | 119.6° | 120.0° |
| C42 | C41 | C40 | 111.4° | 109.5° |
| C42 | C41 | H41A | 109.0° | 109.5° |
| C42 | C41 | H41B | 109.0° | 109.5° |
| C41 | C40 | C8 | 111.6° | 109.5° |
| C41 | C40 | N27 | 112.3° | 109.1° |
| C41 | C40 | H40 | 106.3° | 109.2° |
| C40 | C41 | H41A | 109.0° | 109.5° |
| C40 | C41 | H41B | 109.0° | 109.4° |
| O7 | C8 | C40 | 120.6° | 119.1° |
| O7 | C8 | N9 | 119.2° | 118.7° |
| C8 | C40 | N27 | 112.5° | 108.3° |
| C40 | C8 | N9 | 120.2° | 122.2° |
| C8 | C40 | H40 | 106.4° | 111.8° |
| C40 | N27 | C26 | 115.3° | 113.6° |
| C40 | N27 | C28 | 115.7° | 123.1° |
| N27 | C40 | H40 | 107.2° | 108.9° |
| CL33 | C32 | C34 | 119.1° | 120.1° |
| CL33 | C32 | C31 | 119.7° | 120.0° |
| C8 | N9 | N11 | 116.1° | 114.2° |
| C8 | N9 | C10 | 124.3° | 124.5° |
| C34 | C32 | C31 | 121.1° | 119.9° |
| C32 | C34 | C35 | 118.5° | 120.0° |
| C32 | C34 | H34 | 120.7° | 120.0° |
| C32 | C31 | O30 | 116.4° | 120.0° |
| C32 | C31 | C38 | 119.2° | 119.9° |
| C26 | N27 | C28 | 128.5° | 123.3° |
| N27 | C26 | C25 | 113.3° | 108.9° |
| N27 | C26 | H26B | 108.5° | 109.8° |
| N27 | C26 | H26A | 108.5° | 109.5° |
| N27 | C28 | O39 | 120.4° | 120.0° |
| N27 | C28 | C29 | 122.5° | 120.0° |
| C34 | C35 | CL36 | 119.1° | 120.0° |
| C34 | C35 | C37 | 121.7° | 120.1° |
| C35 | C34 | H34 | 120.8° | 120.0° |
| C26 | C25 | C24 | 114.1° | 109.7° |
| C25 | C26 | H26B | 108.5° | 109.8° |
| C25 | C26 | H26A | 108.5° | 109.6° |
| C26 | C25 | H25A | 108.3° | 109.3° |
| C26 | C25 | H25B | 108.3° | 109.9° |
| O39 | C28 | C29 | 117.1° | 120.0° |
| C31 | O30 | C29 | 117.8° | 117.0° |
| O30 | C31 | C38 | 124.3° | 120.0° |
| O30 | C29 | C28 | 104.9° | 109.5° |
| O30 | C29 | H29B | 110.6° | 109.5° |
| O30 | C29 | H29A | 110.6° | 109.4° |
| C28 | C29 | H29B | 110.6° | 109.5° |
| C28 | C29 | H29A | 110.6° | 109.5° |
| C31 | C38 | C37 | 120.1° | 119.9° |
| C31 | C38 | H38 | 119.9° | 120.0° |
| CL36 | C35 | C37 | 119.2° | 119.9° |
| C35 | C37 | C38 | 119.4° | 120.1° |
| C35 | C37 | H37 | 120.3° | 120.0° |
| N14 | C12 | N11 | 123.6° | 120.0° |
| N14 | C12 | H1 | 118.2° | 120.0° |
| C12 | N14 | H3 | 112.0° | 120.0° |
| C12 | N11 | N9 | 119.5° | 122.8° |
| C12 | N11 | C15 | 122.8° | 123.7° |
| N11 | C12 | H1 | 118.2° | 120.0° |
| N11 | N9 | C10 | 119.5° | 121.3° |
| N9 | N11 | C15 | 117.6° | 113.5° |
| N9 | C10 | H10A | 109.5° | 109.5° |
| N9 | C10 | H10B | 109.5° | 109.5° |
| N9 | C10 | H10C | 109.5° | 109.5° |
| C38 | C37 | H37 | 120.3° | 119.9° |
| C37 | C38 | H38 | 120.0° | 120.1° |
| N11 | C15 | C16 | 112.0° | 109.0° |
| N11 | C15 | H15A | 108.8° | 110.0° |
| N11 | C15 | H15B | 108.8° | 109.6° |
| C25 | C24 | O23 | 108.7° | 109.1° |
| C25 | C24 | H24B | 109.7° | 109.4° |
| C25 | C24 | H24A | 109.7° | 109.5° |
| C24 | C25 | H25A | 108.3° | 109.2° |
| C24 | C25 | H25B | 108.3° | 109.3° |
| C15 | C16 | C22 | 122.2° | 120.1° |
| C15 | C16 | C17 | 119.3° | 120.1° |
| C16 | C15 | H15A | 108.8° | 109.6° |
| C16 | C15 | H15B | 108.8° | 109.4° |
| C24 | O23 | C22 | 120.2° | 117.6° |
| O23 | C24 | H24B | 109.7° | 109.8° |
| O23 | C24 | H24A | 109.7° | 109.5° |
| O23 | C22 | C16 | 115.5° | 120.0° |
| O23 | C22 | C21 | 123.2° | 120.0° |
| C22 | C16 | C17 | 118.5° | 119.8° |
| C16 | C22 | C21 | 121.1° | 120.0° |
| C16 | C17 | C18 | 119.0° | 120.2° |
| C16 | C17 | H17 | 120.5° | 120.2° |
| C22 | C21 | C20 | 119.6° | 120.0° |
| C22 | C21 | H21 | 120.2° | 119.9° |
| C17 | C18 | C20 | 123.6° | 120.1° |
| C17 | C18 | F19 | 117.8° | 120.1° |
| C18 | C17 | H17 | 120.5° | 119.6° |
| C21 | C20 | C18 | 118.2° | 119.9° |
| C21 | C20 | H20 | 120.9° | 119.9° |
| C20 | C21 | H21 | 120.2° | 120.1° |
| C20 | C18 | F19 | 118.5° | 119.8° |
| C18 | C20 | H20 | 120.9° | 120.2° |
| H10A | C10 | H10B | 109.5° | 109.4° |
| H10A | C10 | H10C | 109.5° | 109.5° |
| H10B | C10 | H10C | 109.5° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.1° |
| H24B | C24 | H24A | 109.4° | 109.5° |
| H26B | C26 | H26A | 109.4° | 109.2° |
| H25A | C25 | H25B | 109.5° | 109.3° |
| H29B | C29 | H29A | 109.5° | 109.5° |
| H41A | C41 | H41B | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C45 | C46 | C47 | H46 | 180.0° | 179.8° |
| C46 | C45 | C44 | H45 | 180.0° | 180.0° |
| C45 | C46 | C47 | C42 | 0.1° | 0.6° |
| C46 | C45 | C44 | C43 | 0.1° | 0.1° |
| C46 | C45 | C44 | H44 | 179.9° | 180.0° |
| C45 | C46 | C47 | H47 | 179.8° | 180.0° |
| C47 | C46 | C45 | C44 | 0.0° | 0.3° |
| C46 | C47 | C42 | H47 | 180.0° | 179.4° |
| C46 | C47 | C42 | C43 | 0.3° | 0.6° |
| C46 | C47 | C42 | C41 | 173.1° | 179.7° |
| C47 | C46 | C45 | H45 | 180.0° | 179.7° |
| C45 | C44 | C43 | H44 | 180.0° | 179.9° |
| C45 | C44 | C43 | C42 | 0.1° | 0.1° |
| C45 | C44 | C43 | H43 | 179.9° | 180.0° |
| C44 | C45 | C46 | H46 | 180.0° | 179.9° |
| C47 | C42 | C43 | C44 | 0.2° | 0.4° |
| C47 | C42 | C43 | C41 | 173.4° | 179.7° |
| C47 | C42 | C41 | C40 | 86.6° | 85.7° |
| C47 | C42 | C41 | H41A | 33.7° | 154.2° |
| C47 | C42 | C41 | H41B | 153.0° | 34.2° |
| C47 | C42 | C43 | H43 | 179.8° | 179.7° |
| C42 | C47 | C46 | H46 | 179.9° | 179.6° |
| C44 | C43 | C42 | H43 | 180.0° | 179.9° |
| C44 | C43 | C42 | C41 | 173.2° | 179.9° |
| C43 | C44 | C45 | H45 | 179.9° | 180.0° |
| C43 | C42 | C41 | C40 | 86.6° | 94.6° |
| C43 | C42 | C41 | H41A | 153.1° | 25.5° |
| C43 | C42 | C41 | H41B | 33.7° | 145.4° |
| C42 | C43 | C44 | H44 | 179.9° | 180.0° |
| C43 | C42 | C47 | H47 | 179.7° | 180.0° |
| C42 | C41 | C40 | H41A | 120.3° | 120.1° |
| C42 | C41 | C40 | H41B | 120.3° | 120.0° |
| C42 | C41 | C40 | C8 | 173.7° | 67.0° |
| C42 | C41 | C40 | N27 | 58.8° | 174.6° |
| C42 | C41 | C40 | H40 | 58.2° | 55.7° |
| C42 | C41 | H41A | H41B | 119.1° | 120.0° |
| C41 | C42 | C43 | H43 | 6.9° | 0.1° |
| C41 | C42 | C47 | H47 | 6.9° | 0.3° |
| C41 | C40 | C8 | O7 | 27.2° | 66.0° |
| C41 | C40 | C8 | N27 | 127.3° | 118.9° |
| C41 | C40 | C8 | H40 | 115.5° | 121.1° |
| C41 | C40 | N27 | H40 | 116.4° | 119.1° |
| C41 | C40 | C8 | N9 | 152.3° | 113.4° |
| C41 | C40 | N27 | C26 | 74.3° | 152.5° |
| C41 | C40 | N27 | C28 | 98.0° | 26.8° |
| C40 | C41 | H41A | H41B | 119.1° | 119.9° |
| O7 | C8 | C40 | N9 | 179.5° | 179.4° |
| O7 | C8 | C40 | N27 | 100.1° | 52.9° |
| O7 | C8 | N9 | N11 | 3.2° | 0.8° |
| O7 | C8 | N9 | C10 | 179.1° | 179.7° |
| O7 | C8 | C40 | H40 | 142.7° | 172.9° |
| C8 | C40 | N27 | H40 | 116.6° | 121.8° |
| C8 | C40 | N27 | C26 | 52.6° | 88.4° |
| C8 | C40 | N27 | C28 | 135.1° | 92.3° |
| C40 | C8 | N9 | N11 | 177.2° | 178.5° |
| C40 | C8 | N9 | C10 | 0.4° | 1.0° |
| C8 | C40 | C41 | H41A | 53.4° | 172.9° |
| C8 | C40 | C41 | H41B | 66.0° | 53.0° |
| N27 | C40 | C8 | N9 | 80.3° | 127.7° |
| C40 | N27 | C26 | C28 | 171.1° | 179.3° |
| C40 | N27 | C26 | C25 | 150.5° | 104.2° |
| C40 | N27 | C28 | O39 | 16.1° | 5.4° |
| C40 | N27 | C28 | C29 | 164.8° | 174.7° |
| C40 | N27 | C26 | H26B | 29.9° | 16.0° |
| C40 | N27 | C26 | H26A | 88.9° | 136.0° |
| N27 | C40 | C41 | H41A | 179.1° | 54.6° |
| N27 | C40 | C41 | H41B | 61.5° | 65.4° |
| CL33 | C32 | C34 | C31 | 176.1° | 179.9° |
| CL33 | C32 | C34 | C35 | 175.7° | 179.9° |
| CL33 | C32 | C31 | O30 | 7.3° | 0.4° |
| CL33 | C32 | C31 | C38 | 175.6° | 180.0° |
| CL33 | C32 | C34 | H34 | 4.4° | 0.1° |
| C8 | N9 | N11 | C12 | 91.0° | 111.1° |
| C8 | N9 | N11 | C10 | 177.8° | 179.5° |
| C8 | N9 | N11 | C15 | 88.1° | 68.6° |
| C8 | N9 | C10 | H10A | 180.0° | 90.0° |
| C8 | N9 | C10 | H10B | 60.0° | 150.0° |
| C8 | N9 | C10 | H10C | 60.0° | 30.0° |
| N9 | C8 | C40 | H40 | 36.8° | 7.7° |
| C32 | C34 | C35 | H34 | 180.0° | 180.0° |
| C34 | C32 | C31 | O30 | 176.6° | 179.7° |
| C34 | C32 | C31 | C38 | 0.5° | 0.1° |
| C32 | C34 | C35 | CL36 | 178.7° | 180.0° |
| C32 | C34 | C35 | C37 | 0.3° | 0.0° |
| C31 | C32 | C34 | C35 | 0.4° | 0.0° |
| C32 | C31 | O30 | C38 | 176.9° | 179.7° |
| C32 | C31 | O30 | C29 | 174.7° | 179.7° |
| C32 | C31 | C38 | C37 | 0.3° | 0.1° |
| C31 | C32 | C34 | H34 | 179.5° | 180.0° |
| C32 | C31 | C38 | H38 | 179.7° | 180.0° |
| N27 | C26 | C25 | H26B | 120.6° | 120.2° |
| N27 | C26 | C25 | H26A | 120.6° | 119.8° |
| C26 | N27 | C28 | O39 | 172.8° | 175.4° |
| C26 | N27 | C28 | C29 | 6.3° | 4.6° |
| N27 | C26 | C25 | C24 | 95.5° | 118.1° |
| N27 | C26 | H26B | H26A | 118.2° | 120.1° |
| N27 | C26 | C25 | H25A | 143.8° | 122.1° |
| N27 | C26 | C25 | H25B | 25.2° | 2.1° |
| C26 | N27 | C40 | H40 | 169.2° | 33.3° |
| C28 | N27 | C26 | C25 | 38.3° | 76.5° |
| N27 | C28 | O39 | C29 | 179.2° | 180.0° |
| N27 | C28 | C29 | O30 | 143.4° | 180.0° |
| C28 | N27 | C26 | H26B | 158.9° | 163.3° |
| C28 | N27 | C26 | H26A | 82.3° | 43.3° |
| N27 | C28 | C29 | H29B | 24.1° | 60.0° |
| N27 | C28 | C29 | H29A | 97.3° | 60.0° |
| C28 | N27 | C40 | H40 | 18.4° | 146.0° |
| C34 | C35 | CL36 | C37 | 179.0° | 180.0° |
| C34 | C35 | C37 | C38 | 0.2° | 0.0° |
| C34 | C35 | C37 | H37 | 179.8° | 179.9° |
| C26 | C25 | C24 | H25A | 120.7° | 119.9° |
| C26 | C25 | C24 | H25B | 120.7° | 120.6° |
| C26 | C25 | C24 | O23 | 33.3° | 140.9° |
| C26 | C25 | C24 | H24B | 86.6° | 99.0° |
| C26 | C25 | C24 | H24A | 153.2° | 21.0° |
| C25 | C26 | H26B | H26A | 118.2° | 120.3° |
| C26 | C25 | H25A | H25B | 117.9° | 120.3° |
| O39 | C28 | C29 | O30 | 37.5° | 0.0° |
| O39 | C28 | C29 | H29B | 156.8° | 120.0° |
| O39 | C28 | C29 | H29A | 81.8° | 120.0° |
| C31 | O30 | C29 | C28 | 172.0° | 180.0° |
| O30 | C31 | C38 | C37 | 176.5° | 179.7° |
| C31 | O30 | C29 | H29B | 52.7° | 60.0° |
| C31 | O30 | C29 | H29A | 68.7° | 60.0° |
| O30 | C31 | C38 | H38 | 3.5° | 0.3° |
| O30 | C29 | C28 | H29B | 119.3° | 120.1° |
| O30 | C29 | C28 | H29A | 119.3° | 119.9° |
| C29 | O30 | C31 | C38 | 8.3° | 0.0° |
| O30 | C29 | H29B | H29A | 122.1° | 120.0° |
| C28 | C29 | H29B | H29A | 122.1° | 120.0° |
| C31 | C38 | C37 | C35 | 0.2° | 0.1° |
| C31 | C38 | C37 | H38 | 180.0° | 179.9° |
| C31 | C38 | C37 | H37 | 179.8° | 179.9° |
| CL36 | C35 | C37 | C38 | 178.8° | 180.0° |
| CL36 | C35 | C34 | H34 | 1.3° | 0.0° |
| CL36 | C35 | C37 | H37 | 1.2° | 0.1° |
| C35 | C37 | C38 | H37 | 180.0° | 180.0° |
| C37 | C35 | C34 | H34 | 179.7° | 180.0° |
| C35 | C37 | C38 | H38 | 179.8° | 180.0° |
| N14 | C12 | N11 | H1 | 180.0° | 180.0° |
| N14 | C12 | N11 | N9 | 150.4° | 0.3° |
| N14 | C12 | N11 | C15 | 28.6° | 180.0° |
| C12 | N11 | N9 | C15 | 179.1° | 179.7° |
| C12 | N11 | N9 | C10 | 91.3° | 68.4° |
| C12 | N11 | C15 | C16 | 123.5° | 98.6° |
| C12 | N11 | C15 | H15A | 3.1° | 141.2° |
| C12 | N11 | C15 | H15B | 116.1° | 21.2° |
| N11 | C12 | N14 | H3 | 180.0° | 180.0° |
| N9 | N11 | C15 | C16 | 57.4° | 81.7° |
| N11 | N9 | C10 | H10A | 2.4° | 89.5° |
| N11 | N9 | C10 | H10B | 117.6° | 30.5° |
| N11 | N9 | C10 | H10C | 122.5° | 150.5° |
| N9 | N11 | C15 | H15A | 177.8° | 38.5° |
| N9 | N11 | C15 | H15B | 62.9° | 158.5° |
| N9 | N11 | C12 | H1 | 29.6° | 179.7° |
| C10 | N9 | N11 | C15 | 89.7° | 111.9° |
| N9 | C10 | H10A | H10B | 120.0° | 120.0° |
| N9 | C10 | H10A | H10C | 120.0° | 120.0° |
| N9 | C10 | H10B | H10C | 120.0° | 120.0° |
| N11 | C15 | C16 | H15A | 120.4° | 120.5° |
| N11 | C15 | C16 | H15B | 120.4° | 119.9° |
| N11 | C15 | C16 | C22 | 89.4° | 115.1° |
| N11 | C15 | C16 | C17 | 90.1° | 65.4° |
| N11 | C15 | H15A | H15B | 118.8° | 120.3° |
| C15 | N11 | C12 | H1 | 151.4° | 0.0° |
| C25 | C24 | O23 | H24B | 119.9° | 119.8° |
| C25 | C24 | O23 | H24A | 119.9° | 119.9° |
| C25 | C24 | O23 | C22 | 148.8° | 155.9° |
| C25 | C24 | H24B | H24A | 120.4° | 120.0° |
| C24 | C25 | C26 | H26B | 25.1° | 2.1° |
| C24 | C25 | C26 | H26A | 143.9° | 122.1° |
| C24 | C25 | H25A | H25B | 117.9° | 119.6° |
| C15 | C16 | C22 | O23 | 4.6° | 1.5° |
| C15 | C16 | C22 | C17 | 179.5° | 179.5° |
| C15 | C16 | C22 | C21 | 179.7° | 179.2° |
| C15 | C16 | C17 | C18 | 179.5° | 179.4° |
| C16 | C15 | H15A | H15B | 118.8° | 119.8° |
| C15 | C16 | C17 | H17 | 0.5° | 0.9° |
| C24 | O23 | C22 | C16 | 142.6° | 112.6° |
| C24 | O23 | C22 | C21 | 42.4° | 68.1° |
| O23 | C24 | H24B | H24A | 120.4° | 120.3° |
| O23 | C24 | C25 | H25A | 154.0° | 99.2° |
| O23 | C24 | C25 | H25B | 87.4° | 20.3° |
| O23 | C22 | C16 | C21 | 175.1° | 179.3° |
| O23 | C22 | C16 | C17 | 174.9° | 178.0° |
| O23 | C22 | C21 | C20 | 174.4° | 178.9° |
| O23 | C22 | C21 | H21 | 5.5° | 1.3° |
| C22 | O23 | C24 | H24B | 91.3° | 84.3° |
| C22 | O23 | C24 | H24A | 28.9° | 36.0° |
| C22 | C16 | C17 | C18 | 0.0° | 1.1° |
| C16 | C22 | C21 | C20 | 0.3° | 0.4° |
| C22 | C16 | C15 | H15A | 150.2° | 5.4° |
| C22 | C16 | C15 | H15B | 30.9° | 125.0° |
| C22 | C16 | C17 | H17 | 179.9° | 178.6° |
| C16 | C22 | C21 | H21 | 179.7° | 179.4° |
| C17 | C16 | C22 | C21 | 0.2° | 1.3° |
| C16 | C17 | C18 | H17 | 180.0° | 179.7° |
| C16 | C17 | C18 | C20 | 0.2° | 0.1° |
| C16 | C17 | C18 | F19 | 175.9° | 179.9° |
| C17 | C16 | C15 | H15A | 30.3° | 174.1° |
| C17 | C16 | C15 | H15B | 149.5° | 54.5° |
| C22 | C21 | C20 | H21 | 180.0° | 179.8° |
| C22 | C21 | C20 | C18 | 0.1° | 0.6° |
| C22 | C21 | C20 | H20 | 179.9° | 179.6° |
| C17 | C18 | C20 | C21 | 0.2° | 0.7° |
| C17 | C18 | C20 | F19 | 176.1° | 180.0° |
| C17 | C18 | C20 | H20 | 179.8° | 179.5° |
| C21 | C20 | C18 | H20 | 180.0° | 179.8° |
| C21 | C20 | C18 | F19 | 175.9° | 179.2° |
| C20 | C18 | C17 | H17 | 179.7° | 179.6° |
| C18 | C20 | C21 | H21 | 179.9° | 179.6° |
| F19 | C18 | C17 | H17 | 4.1° | 0.4° |
| F19 | C18 | C20 | H20 | 4.1° | 0.6° |
| H10A | C10 | H10B | H10C | 120.0° | 119.9° |
| H20 | C20 | C21 | H21 | 0.1° | 0.2° |
| H24B | C24 | C25 | H25A | 34.1° | 20.8° |
| H24B | C24 | C25 | H25B | 152.8° | 140.4° |
| H24A | C24 | C25 | H25A | 86.1° | 140.9° |
| H24A | C24 | C25 | H25B | 32.5° | 99.5° |
| H26B | C26 | C25 | H25A | 95.6° | 117.7° |
| H26B | C26 | C25 | H25B | 145.8° | 122.3° |
| H26A | C26 | C25 | H25A | 23.2° | 2.3° |
| H26A | C26 | C25 | H25B | 95.4° | 117.7° |
| H1 | C12 | N14 | H3 | 0.0° | 0.0° |
| H37 | C37 | C38 | H38 | 0.2° | 0.0° |
| H40 | C40 | C41 | H41A | 62.2° | 64.4° |
| H40 | C40 | C41 | H41B | 178.5° | 175.7° |
| H43 | C43 | C44 | H44 | 0.1° | 0.1° |
| H44 | C44 | C45 | H45 | 0.1° | 0.1° |
| H45 | C45 | C46 | H46 | 0.0° | 0.0° |
| H46 | C46 | C47 | H47 | 0.1° | 0.3° |
