A1AID
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C25 | doub | 1.36Å | 1.48Å | |
| C24 | C22 | sing | 1.41Å | 1.49Å | |
| C25 | C26 | sing | 1.42Å | 1.54Å | |
| O23 | C22 | doub | 1.22Å | 1.19Å | |
| C22 | N21 | sing | 1.35Å | 1.46Å | |
| C27 | C26 | doub | 1.41Å | 1.42Å | Aromatic |
| C27 | N28 | sing | 1.31Å | 1.33Å | Aromatic |
| C26 | C35 | sing | 1.40Å | 1.42Å | Aromatic |
| N28 | C29 | doub | 1.34Å | 1.36Å | Aromatic |
| N21 | C35 | sing | 1.37Å | 1.55Å | |
| N21 | C18 | sing | 1.40Å | 1.49Å | |
| C35 | C34 | doub | 1.41Å | 1.45Å | Aromatic |
| C29 | C34 | sing | 1.42Å | 1.36Å | Aromatic |
| C29 | C30 | sing | 1.41Å | 1.41Å | Aromatic |
| C34 | C33 | sing | 1.40Å | 1.41Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| F48 | C46 | sing | 1.40Å | 1.37Å | |
| C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C31 | doub | 1.36Å | 1.39Å | Aromatic |
| C33 | C32 | doub | 1.39Å | 1.40Å | Aromatic |
| F49 | C46 | sing | 1.40Å | 1.37Å | |
| C16 | C46 | sing | 1.51Å | 1.54Å | |
| C16 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C46 | F47 | sing | 1.40Å | 1.36Å | |
| C20 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.40Å | 1.41Å | Aromatic |
| C15 | N12 | sing | 1.40Å | 1.50Å | |
| C32 | C36 | sing | 1.48Å | 1.54Å | |
| C11 | N12 | sing | 1.47Å | 1.45Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| N12 | C13 | sing | 1.47Å | 1.46Å | |
| C36 | C45 | doub | 1.40Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | N09 | sing | 1.47Å | 1.48Å | |
| C45 | N44 | sing | 1.31Å | 1.33Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C37 | C38 | doub | 1.41Å | 1.41Å | Aromatic |
| N44 | C43 | doub | 1.34Å | 1.35Å | Aromatic |
| N09 | C14 | sing | 1.47Å | 1.47Å | |
| N09 | C07 | sing | 1.35Å | 1.47Å | |
| C05 | C06 | doub | 1.33Å | 1.34Å | |
| C06 | C07 | sing | 1.47Å | 1.55Å | |
| C38 | C43 | sing | 1.42Å | 1.38Å | Aromatic |
| C38 | C39 | sing | 1.41Å | 1.41Å | Aromatic |
| C43 | C42 | sing | 1.41Å | 1.41Å | Aromatic |
| C07 | O08 | doub | 1.22Å | 1.19Å | |
| C39 | C40 | doub | 1.36Å | 1.39Å | Aromatic |
| C42 | C41 | doub | 1.36Å | 1.39Å | Aromatic |
| C40 | C41 | sing | 1.39Å | 1.40Å | Aromatic |
| C41 | H1 | sing | 1.08Å | 1.08Å | |
| C42 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C05 | H8 | sing | 1.08Å | 1.08Å | |
| C06 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C24 | H17 | sing | 1.08Å | 1.08Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C27 | H19 | sing | 1.08Å | 1.08Å | |
| C30 | H20 | sing | 1.08Å | 1.08Å | |
| C31 | H21 | sing | 1.08Å | 1.08Å | |
| C33 | H22 | sing | 1.08Å | 1.08Å | |
| C37 | H23 | sing | 1.08Å | 1.08Å | |
| C39 | H24 | sing | 1.08Å | 1.08Å | |
| C40 | H25 | sing | 1.08Å | 1.08Å | |
| C45 | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C24 | C22 | 119.0° | 120.2° |
| C24 | C25 | C26 | 120.0° | 119.0° |
| C25 | C24 | H17 | 120.5° | 119.9° |
| C24 | C25 | H18 | 120.0° | 120.5° |
| C24 | C22 | O23 | 119.3° | 119.5° |
| C24 | C22 | N21 | 121.3° | 120.9° |
| C22 | C24 | H17 | 120.5° | 119.9° |
| C25 | C26 | C27 | 117.9° | 121.4° |
| C25 | C26 | C35 | 120.9° | 119.3° |
| C26 | C25 | H18 | 120.0° | 120.5° |
| O23 | C22 | N21 | 119.4° | 119.5° |
| C22 | N21 | C35 | 119.8° | 120.4° |
| C22 | N21 | C18 | 115.1° | 119.8° |
| C26 | C27 | N28 | 122.9° | 121.2° |
| C27 | C26 | C35 | 121.2° | 119.3° |
| C26 | C27 | H19 | 118.6° | 119.4° |
| C27 | N28 | C29 | 117.2° | 122.3° |
| N28 | C27 | H19 | 118.6° | 119.4° |
| C26 | C35 | N21 | 119.0° | 120.2° |
| C26 | C35 | C34 | 113.2° | 118.1° |
| N28 | C29 | C34 | 124.2° | 120.4° |
| N28 | C29 | C30 | 112.2° | 120.4° |
| C35 | N21 | C18 | 125.1° | 119.8° |
| N21 | C35 | C34 | 127.8° | 121.8° |
| N21 | C18 | C17 | 118.7° | 120.0° |
| N21 | C18 | C19 | 121.4° | 120.1° |
| C35 | C34 | C29 | 121.4° | 118.7° |
| C35 | C34 | C33 | 118.7° | 121.4° |
| C34 | C29 | C30 | 123.6° | 119.2° |
| C29 | C34 | C33 | 119.9° | 119.9° |
| C29 | C30 | C31 | 116.8° | 120.2° |
| C29 | C30 | H20 | 121.6° | 119.9° |
| C34 | C33 | C32 | 118.0° | 119.5° |
| C34 | C33 | H22 | 121.0° | 120.3° |
| C17 | C18 | C19 | 120.0° | 119.9° |
| C18 | C17 | C16 | 120.1° | 120.0° |
| C18 | C17 | H14 | 120.0° | 119.9° |
| C18 | C19 | C20 | 119.9° | 120.1° |
| C18 | C19 | H15 | 120.0° | 119.9° |
| C17 | C16 | C46 | 119.6° | 120.0° |
| C17 | C16 | C15 | 120.1° | 120.0° |
| C16 | C17 | H14 | 119.9° | 120.0° |
| F48 | C46 | F49 | 109.5° | 109.5° |
| F48 | C46 | C16 | 109.4° | 109.4° |
| F48 | C46 | F47 | 109.4° | 109.4° |
| C19 | C20 | C15 | 120.1° | 120.0° |
| C20 | C19 | H15 | 120.1° | 120.0° |
| C19 | C20 | H16 | 120.0° | 120.0° |
| C30 | C31 | C32 | 120.6° | 120.9° |
| C31 | C30 | H20 | 121.6° | 119.9° |
| C30 | C31 | H21 | 119.7° | 119.5° |
| C33 | C32 | C31 | 121.2° | 120.3° |
| C33 | C32 | C36 | 119.0° | 119.9° |
| C32 | C33 | H22 | 121.0° | 120.2° |
| F49 | C46 | C16 | 109.3° | 109.5° |
| F49 | C46 | F47 | 109.4° | 109.5° |
| C46 | C16 | C15 | 120.4° | 120.0° |
| C16 | C46 | F47 | 109.8° | 109.5° |
| C16 | C15 | C20 | 119.9° | 120.0° |
| C16 | C15 | N12 | 119.0° | 120.0° |
| C20 | C15 | N12 | 121.1° | 120.0° |
| C15 | C20 | H16 | 119.9° | 120.0° |
| C31 | C32 | C36 | 119.8° | 119.8° |
| C32 | C31 | H21 | 119.7° | 119.6° |
| C15 | N12 | C11 | 113.3° | 111.0° |
| C15 | N12 | C13 | 113.4° | 111.0° |
| C32 | C36 | C45 | 120.2° | 120.2° |
| C32 | C36 | C37 | 120.2° | 120.3° |
| N12 | C11 | C10 | 114.5° | 109.3° |
| C11 | N12 | C13 | 118.1° | 111.3° |
| N12 | C11 | H3 | 108.2° | 109.5° |
| N12 | C11 | H4 | 108.2° | 109.5° |
| C11 | C10 | N09 | 111.4° | 108.5° |
| C10 | C11 | H3 | 108.2° | 109.5° |
| C10 | C11 | H4 | 108.2° | 109.5° |
| C11 | C10 | H5 | 109.0° | 109.6° |
| C11 | C10 | H6 | 109.0° | 109.7° |
| N12 | C13 | C14 | 115.0° | 109.3° |
| N12 | C13 | H10 | 108.1° | 109.5° |
| N12 | C13 | H11 | 108.1° | 109.5° |
| C45 | C36 | C37 | 119.6° | 119.5° |
| C36 | C45 | N44 | 121.0° | 121.5° |
| C36 | C45 | H26 | 119.5° | 119.2° |
| C36 | C37 | C38 | 117.8° | 118.0° |
| C36 | C37 | H23 | 121.1° | 121.0° |
| C10 | N09 | C14 | 108.9° | 118.3° |
| C10 | N09 | C07 | 125.7° | 120.9° |
| N09 | C10 | H5 | 109.0° | 109.6° |
| N09 | C10 | H6 | 109.0° | 109.6° |
| C45 | N44 | C43 | 121.2° | 121.7° |
| N44 | C45 | H26 | 119.5° | 119.3° |
| C13 | C14 | N09 | 112.0° | 108.5° |
| C14 | C13 | H10 | 108.1° | 109.6° |
| C14 | C13 | H11 | 108.0° | 109.5° |
| C13 | C14 | H12 | 108.8° | 109.7° |
| C13 | C14 | H13 | 108.8° | 109.6° |
| C37 | C38 | C43 | 119.5° | 119.1° |
| C37 | C38 | C39 | 120.5° | 121.3° |
| C38 | C37 | H23 | 121.1° | 121.0° |
| N44 | C43 | C38 | 121.1° | 120.1° |
| N44 | C43 | C42 | 118.9° | 120.9° |
| C14 | N09 | C07 | 125.4° | 120.9° |
| N09 | C14 | H12 | 108.8° | 109.7° |
| N09 | C14 | H13 | 108.8° | 109.8° |
| N09 | C07 | C06 | 120.2° | 120.0° |
| N09 | C07 | O08 | 120.0° | 120.0° |
| C05 | C06 | C07 | 153.0° | 120.0° |
| C06 | C05 | H7 | 120.0° | 119.9° |
| C06 | C05 | H8 | 120.0° | 120.0° |
| C05 | C06 | H9 | 103.5° | 120.0° |
| C06 | C07 | O08 | 119.8° | 120.0° |
| C07 | C06 | H9 | 103.5° | 120.0° |
| C43 | C38 | C39 | 120.0° | 119.6° |
| C38 | C43 | C42 | 120.1° | 119.0° |
| C38 | C39 | C40 | 119.8° | 119.6° |
| C38 | C39 | H24 | 120.1° | 120.2° |
| C43 | C42 | C41 | 119.8° | 119.8° |
| C43 | C42 | H2 | 120.1° | 120.1° |
| C39 | C40 | C41 | 120.1° | 120.9° |
| C40 | C39 | H24 | 120.1° | 120.2° |
| C39 | C40 | H25 | 119.9° | 119.6° |
| C42 | C41 | C40 | 120.1° | 121.1° |
| C42 | C41 | H1 | 119.9° | 119.4° |
| C41 | C42 | H2 | 120.1° | 120.1° |
| C40 | C41 | H1 | 120.0° | 119.5° |
| C41 | C40 | H25 | 119.9° | 119.6° |
| H3 | C11 | H4 | 109.4° | 109.5° |
| H5 | C10 | H6 | 109.4° | 109.8° |
| H7 | C05 | H8 | 120.0° | 120.0° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C24 | C22 | H17 | 180.0° | 180.0° |
| C24 | C25 | C26 | H18 | 180.0° | 179.9° |
| C25 | C24 | C22 | O23 | 180.0° | 180.0° |
| C25 | C24 | C22 | N21 | 0.3° | 0.0° |
| C24 | C25 | C26 | C27 | 180.0° | 180.0° |
| C24 | C25 | C26 | C35 | 0.0° | 0.0° |
| C22 | C24 | C25 | C26 | 0.0° | 0.0° |
| C24 | C22 | O23 | N21 | 179.7° | 180.0° |
| C24 | C22 | N21 | C35 | 0.6° | 0.0° |
| C24 | C22 | N21 | C18 | 179.5° | 179.7° |
| C22 | C24 | C25 | H18 | 180.0° | 179.9° |
| C25 | C26 | C27 | C35 | 180.0° | 180.0° |
| C25 | C26 | C27 | N28 | 180.0° | 180.0° |
| C25 | C26 | C35 | N21 | 0.3° | 0.0° |
| C25 | C26 | C35 | C34 | 180.0° | 179.7° |
| C26 | C25 | C24 | H17 | 180.0° | 180.0° |
| C25 | C26 | C27 | H19 | 0.0° | 0.0° |
| O23 | C22 | N21 | C35 | 179.7° | 179.9° |
| O23 | C22 | N21 | C18 | 0.8° | 0.3° |
| O23 | C22 | C24 | H17 | 0.0° | 0.0° |
| C22 | N21 | C35 | C26 | 0.6° | 0.0° |
| C22 | N21 | C35 | C18 | 178.9° | 179.7° |
| C22 | N21 | C35 | C34 | 179.7° | 179.7° |
| C22 | N21 | C18 | C17 | 89.0° | 104.2° |
| C22 | N21 | C18 | C19 | 90.3° | 75.8° |
| N21 | C22 | C24 | H17 | 179.7° | 180.0° |
| C26 | C27 | N28 | H19 | 180.0° | 180.0° |
| C26 | C27 | N28 | C29 | 0.0° | 0.1° |
| C27 | C26 | C35 | N21 | 179.7° | 180.0° |
| C27 | C26 | C35 | C34 | 0.0° | 0.3° |
| C27 | C26 | C25 | H18 | 0.0° | 0.1° |
| N28 | C27 | C26 | C35 | 0.0° | 0.0° |
| C27 | N28 | C29 | C34 | 0.1° | 0.2° |
| C27 | N28 | C29 | C30 | 180.0° | 179.7° |
| C26 | C35 | N21 | C34 | 179.7° | 179.8° |
| C26 | C35 | N21 | C18 | 179.4° | 179.7° |
| C26 | C35 | C34 | C29 | 0.1° | 0.5° |
| C26 | C35 | C34 | C33 | 179.9° | 179.5° |
| C35 | C26 | C25 | H18 | 180.0° | 180.0° |
| C35 | C26 | C27 | H19 | 180.0° | 180.0° |
| N28 | C29 | C34 | C35 | 0.1° | 0.5° |
| N28 | C29 | C34 | C30 | 179.9° | 179.5° |
| N28 | C29 | C34 | C33 | 180.0° | 179.5° |
| N28 | C29 | C30 | C31 | 180.0° | 179.6° |
| C29 | N28 | C27 | H19 | 180.0° | 180.0° |
| N28 | C29 | C30 | H20 | 0.0° | 0.5° |
| N21 | C35 | C34 | C29 | 179.6° | 179.7° |
| N21 | C35 | C34 | C33 | 0.2° | 0.2° |
| C35 | N21 | C18 | C17 | 89.9° | 76.1° |
| C35 | N21 | C18 | C19 | 90.8° | 103.9° |
| C18 | N21 | C35 | C34 | 0.9° | 0.0° |
| N21 | C18 | C17 | C19 | 179.3° | 180.0° |
| N21 | C18 | C17 | C16 | 179.8° | 180.0° |
| N21 | C18 | C19 | C20 | 179.8° | 179.8° |
| N21 | C18 | C17 | H14 | 0.2° | 0.0° |
| N21 | C18 | C19 | H15 | 0.2° | 0.1° |
| C35 | C34 | C29 | C33 | 179.9° | 180.0° |
| C35 | C34 | C29 | C30 | 180.0° | 180.0° |
| C35 | C34 | C33 | C32 | 180.0° | 180.0° |
| C35 | C34 | C33 | H22 | 0.0° | 0.1° |
| C34 | C29 | C30 | C31 | 0.1° | 0.1° |
| C29 | C34 | C33 | C32 | 0.1° | 0.0° |
| C34 | C29 | C30 | H20 | 180.0° | 180.0° |
| C29 | C34 | C33 | H22 | 179.9° | 179.9° |
| C30 | C29 | C34 | C33 | 0.1° | 0.1° |
| C29 | C30 | C31 | H20 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.0° | 0.1° |
| C29 | C30 | C31 | H21 | 180.0° | 180.0° |
| C34 | C33 | C32 | H22 | 180.0° | 179.9° |
| C34 | C33 | C32 | C31 | 0.1° | 0.0° |
| C34 | C33 | C32 | C36 | 180.0° | 180.0° |
| C18 | C17 | C16 | H14 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.5° | 0.2° |
| C18 | C17 | C16 | C46 | 179.7° | 180.0° |
| C18 | C17 | C16 | C15 | 0.2° | 0.0° |
| C17 | C18 | C19 | H15 | 179.5° | 179.9° |
| C19 | C18 | C17 | C16 | 0.5° | 0.0° |
| C18 | C19 | C20 | H15 | 180.0° | 179.8° |
| C18 | C19 | C20 | C15 | 0.2° | 0.5° |
| C19 | C18 | C17 | H14 | 179.5° | 180.0° |
| C18 | C19 | C20 | H16 | 179.7° | 180.0° |
| C17 | C16 | C46 | F48 | 85.2° | 126.8° |
| C17 | C16 | C46 | F49 | 34.7° | 113.2° |
| C17 | C16 | C46 | C15 | 179.9° | 180.0° |
| C17 | C16 | C46 | F47 | 154.8° | 6.9° |
| C17 | C16 | C15 | C20 | 0.1° | 0.3° |
| C17 | C16 | C15 | N12 | 180.0° | 180.0° |
| F48 | C46 | F49 | C16 | 119.8° | 119.9° |
| F48 | C46 | F49 | F47 | 119.9° | 120.0° |
| F48 | C46 | C16 | F47 | 120.0° | 120.0° |
| F48 | C46 | C16 | C15 | 94.9° | 53.2° |
| C19 | C20 | C15 | C16 | 0.1° | 0.5° |
| C19 | C20 | C15 | H16 | 180.0° | 179.5° |
| C19 | C20 | C15 | N12 | 179.9° | 179.7° |
| C30 | C31 | C32 | C33 | 0.0° | 0.0° |
| C30 | C31 | C32 | H21 | 180.0° | 180.0° |
| C30 | C31 | C32 | C36 | 179.9° | 180.0° |
| C33 | C32 | C31 | C36 | 179.9° | 180.0° |
| C33 | C32 | C36 | C45 | 24.8° | 30.5° |
| C33 | C32 | C36 | C37 | 154.7° | 149.6° |
| C33 | C32 | C31 | H21 | 180.0° | 180.0° |
| F49 | C46 | C16 | F47 | 120.0° | 120.1° |
| F49 | C46 | C16 | C15 | 145.1° | 66.8° |
| C46 | C16 | C15 | C20 | 180.0° | 179.7° |
| C46 | C16 | C15 | N12 | 0.2° | 0.0° |
| C46 | C16 | C17 | H14 | 0.3° | 0.0° |
| C15 | C16 | C46 | F47 | 25.1° | 173.1° |
| C16 | C15 | C20 | N12 | 179.9° | 179.8° |
| C16 | C15 | N12 | C11 | 96.1° | 156.2° |
| C16 | C15 | N12 | C13 | 125.7° | 79.5° |
| C15 | C16 | C17 | H14 | 179.8° | 180.0° |
| C16 | C15 | C20 | H16 | 179.9° | 180.0° |
| C20 | C15 | N12 | C11 | 83.7° | 24.1° |
| C20 | C15 | N12 | C13 | 54.5° | 100.3° |
| C15 | C20 | C19 | H15 | 179.7° | 179.7° |
| C31 | C32 | C36 | C45 | 155.3° | 149.6° |
| C31 | C32 | C36 | C37 | 25.2° | 30.4° |
| C32 | C31 | C30 | H20 | 180.0° | 180.0° |
| C31 | C32 | C33 | H22 | 179.9° | 179.9° |
| C15 | N12 | C11 | C13 | 136.1° | 124.2° |
| C15 | N12 | C11 | C10 | 101.6° | 172.7° |
| C15 | N12 | C13 | C14 | 103.0° | 172.8° |
| C15 | N12 | C11 | H3 | 137.6° | 67.3° |
| C15 | N12 | C11 | H4 | 19.2° | 52.8° |
| C15 | N12 | C13 | H10 | 17.8° | 52.7° |
| C15 | N12 | C13 | H11 | 136.2° | 67.3° |
| N12 | C15 | C20 | H16 | 0.1° | 0.2° |
| C32 | C36 | C45 | C37 | 179.5° | 179.9° |
| C32 | C36 | C45 | N44 | 179.8° | 180.0° |
| C32 | C36 | C37 | C38 | 179.8° | 180.0° |
| C36 | C32 | C31 | H21 | 0.1° | 0.0° |
| C36 | C32 | C33 | H22 | 0.0° | 0.0° |
| C32 | C36 | C37 | H23 | 0.2° | 0.1° |
| C32 | C36 | C45 | H26 | 0.2° | 0.0° |
| N12 | C11 | C10 | H3 | 120.8° | 120.0° |
| N12 | C11 | C10 | H4 | 120.8° | 120.0° |
| N12 | C11 | C10 | N09 | 48.2° | 53.8° |
| C11 | N12 | C13 | C14 | 33.0° | 63.1° |
| N12 | C11 | H3 | H4 | 117.7° | 120.1° |
| N12 | C11 | C10 | H5 | 168.5° | 65.9° |
| N12 | C11 | C10 | H6 | 72.1° | 173.5° |
| C11 | N12 | C13 | H10 | 153.8° | 176.9° |
| C11 | N12 | C13 | H11 | 87.8° | 56.8° |
| C10 | C11 | N12 | C13 | 34.5° | 63.1° |
| C11 | C10 | N09 | H5 | 120.3° | 119.7° |
| C11 | C10 | N09 | H6 | 120.3° | 119.7° |
| C11 | C10 | N09 | C14 | 60.4° | 51.1° |
| C11 | C10 | N09 | C07 | 119.3° | 128.8° |
| C10 | C11 | H3 | H4 | 117.7° | 120.0° |
| C11 | C10 | H5 | H6 | 119.1° | 120.5° |
| N12 | C13 | C14 | H10 | 120.8° | 120.0° |
| N12 | C13 | C14 | H11 | 120.8° | 119.9° |
| N12 | C13 | C14 | N09 | 45.4° | 53.8° |
| C13 | N12 | C11 | H3 | 86.3° | 56.9° |
| C13 | N12 | C11 | H4 | 155.2° | 177.0° |
| N12 | C13 | H10 | H11 | 117.5° | 120.0° |
| N12 | C13 | C14 | H12 | 75.0° | 173.5° |
| N12 | C13 | C14 | H13 | 165.7° | 66.1° |
| C36 | C45 | N44 | H26 | 180.0° | 180.0° |
| C45 | C36 | C37 | C38 | 0.3° | 0.0° |
| C36 | C45 | N44 | C43 | 0.1° | 0.1° |
| C45 | C36 | C37 | H23 | 179.7° | 180.0° |
| C37 | C36 | C45 | N44 | 0.3° | 0.0° |
| C36 | C37 | C38 | H23 | 180.0° | 180.0° |
| C36 | C37 | C38 | C43 | 0.2° | 0.0° |
| C36 | C37 | C38 | C39 | 179.8° | 179.7° |
| C37 | C36 | C45 | H26 | 179.7° | 179.9° |
| C10 | N09 | C14 | C13 | 59.0° | 51.1° |
| C10 | N09 | C14 | C07 | 179.7° | 179.9° |
| C10 | N09 | C07 | C06 | 0.3° | 174.4° |
| C10 | N09 | C07 | O08 | 179.9° | 5.5° |
| N09 | C10 | C11 | H3 | 72.6° | 66.2° |
| N09 | C10 | C11 | H4 | 168.9° | 173.8° |
| N09 | C10 | H5 | H6 | 119.1° | 120.5° |
| C10 | N09 | C14 | H12 | 61.4° | 170.9° |
| C10 | N09 | C14 | H13 | 179.4° | 68.6° |
| C45 | N44 | C43 | C38 | 0.0° | 0.1° |
| C45 | N44 | C43 | C42 | 180.0° | 180.0° |
| C13 | C14 | N09 | H12 | 120.4° | 119.8° |
| C13 | C14 | N09 | H13 | 120.4° | 119.7° |
| C13 | C14 | N09 | C07 | 120.7° | 128.8° |
| C14 | C13 | H10 | H11 | 117.5° | 120.1° |
| C13 | C14 | H12 | H13 | 118.9° | 120.3° |
| C37 | C38 | C43 | N44 | 0.0° | 0.0° |
| C37 | C38 | C43 | C39 | 180.0° | 179.7° |
| C37 | C38 | C43 | C42 | 180.0° | 180.0° |
| C37 | C38 | C39 | C40 | 180.0° | 180.0° |
| C37 | C38 | C39 | H24 | 0.0° | 0.0° |
| N44 | C43 | C38 | C42 | 180.0° | 179.9° |
| N44 | C43 | C38 | C39 | 180.0° | 179.7° |
| N44 | C43 | C42 | C41 | 180.0° | 180.0° |
| N44 | C43 | C42 | H2 | 0.0° | 0.0° |
| C43 | N44 | C45 | H26 | 179.9° | 179.9° |
| C14 | N09 | C07 | C06 | 179.9° | 5.7° |
| C14 | N09 | C07 | O08 | 0.2° | 174.4° |
| C14 | N09 | C10 | H5 | 179.3° | 68.5° |
| C14 | N09 | C10 | H6 | 59.9° | 170.9° |
| N09 | C14 | C13 | H10 | 166.2° | 173.7° |
| N09 | C14 | C13 | H11 | 75.5° | 66.2° |
| N09 | C14 | H12 | H13 | 118.8° | 120.6° |
| N09 | C07 | C06 | C05 | 83.8° | 174.2° |
| N09 | C07 | C06 | O08 | 179.8° | 179.9° |
| C07 | N09 | C10 | H5 | 1.0° | 111.6° |
| C07 | N09 | C10 | H6 | 120.4° | 9.1° |
| N09 | C07 | C06 | H9 | 96.2° | 5.7° |
| C07 | N09 | C14 | H12 | 118.9° | 9.0° |
| C07 | N09 | C14 | H13 | 0.3° | 111.5° |
| C05 | C06 | C07 | H9 | 180.0° | 179.9° |
| C05 | C06 | C07 | O08 | 96.4° | 5.8° |
| C06 | C05 | H7 | H8 | 180.0° | 179.9° |
| C07 | C06 | C05 | H7 | 0.0° | 180.0° |
| C07 | C06 | C05 | H8 | 180.0° | 0.1° |
| C43 | C38 | C39 | C40 | 0.0° | 0.3° |
| C38 | C43 | C42 | C41 | 0.0° | 0.1° |
| C38 | C43 | C42 | H2 | 180.0° | 179.9° |
| C43 | C38 | C37 | H23 | 179.9° | 180.0° |
| C43 | C38 | C39 | H24 | 180.0° | 179.7° |
| C39 | C38 | C43 | C42 | 0.0° | 0.4° |
| C38 | C39 | C40 | H24 | 180.0° | 180.0° |
| C38 | C39 | C40 | C41 | 0.0° | 0.0° |
| C39 | C38 | C37 | H23 | 0.2° | 0.3° |
| C38 | C39 | C40 | H25 | 180.0° | 180.0° |
| C43 | C42 | C41 | H2 | 180.0° | 180.0° |
| C43 | C42 | C41 | C40 | 0.0° | 0.2° |
| C43 | C42 | C41 | H1 | 180.0° | 179.9° |
| O08 | C07 | C06 | H9 | 83.6° | 174.2° |
| C39 | C40 | C41 | C42 | 0.0° | 0.2° |
| C39 | C40 | C41 | H25 | 180.0° | 180.0° |
| C39 | C40 | C41 | H1 | 180.0° | 180.0° |
| C42 | C41 | C40 | H1 | 180.0° | 179.7° |
| C42 | C41 | C40 | H25 | 180.0° | 179.8° |
| C40 | C41 | C42 | H2 | 180.0° | 179.8° |
| C41 | C40 | C39 | H24 | 180.0° | 180.0° |
| H1 | C41 | C42 | H2 | 0.0° | 0.0° |
| H1 | C41 | C40 | H25 | 0.0° | 0.0° |
| H3 | C11 | C10 | H5 | 47.7° | 174.1° |
| H3 | C11 | C10 | H6 | 167.1° | 53.5° |
| H4 | C11 | C10 | H5 | 70.8° | 54.1° |
| H4 | C11 | C10 | H6 | 48.6° | 66.5° |
| H7 | C05 | C06 | H9 | 180.0° | 0.1° |
| H8 | C05 | C06 | H9 | 0.0° | 180.0° |
| H10 | C13 | C14 | H12 | 45.8° | 66.5° |
| H10 | C13 | C14 | H13 | 73.5° | 53.9° |
| H11 | C13 | C14 | H12 | 164.1° | 53.6° |
| H11 | C13 | C14 | H13 | 44.9° | 174.0° |
| H15 | C19 | C20 | H16 | 0.3° | 0.1° |
| H17 | C24 | C25 | H18 | 0.0° | 0.1° |
| H20 | C30 | C31 | H21 | 0.0° | 0.1° |
| H24 | C39 | C40 | H25 | 0.0° | 0.0° |
