9X1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL5 | C48 | sing | 1.74Å | 1.65Å | |
| C48 | C49 | doub | 1.38Å | 1.39Å | Aromatic |
| C48 | C47 | sing | 1.38Å | 1.39Å | Aromatic |
| C49 | C50 | sing | 1.38Å | 1.40Å | Aromatic |
| C47 | C46 | doub | 1.38Å | 1.39Å | Aromatic |
| C50 | C45 | doub | 1.39Å | 1.42Å | Aromatic |
| C46 | C45 | sing | 1.39Å | 1.43Å | Aromatic |
| C45 | N43 | sing | 1.40Å | 1.38Å | |
| N43 | C36 | sing | 1.39Å | 1.39Å | |
| N43 | C44 | sing | 1.47Å | 1.50Å | |
| C36 | C35 | doub | 1.39Å | 1.41Å | Aromatic |
| C36 | C37 | sing | 1.42Å | 1.44Å | Aromatic |
| C35 | C34 | sing | 1.39Å | 1.39Å | Aromatic |
| C42 | C37 | doub | 1.40Å | 1.42Å | Aromatic |
| C42 | C41 | sing | 1.36Å | 1.39Å | Aromatic |
| C37 | C38 | sing | 1.41Å | 1.43Å | Aromatic |
| C34 | N33 | doub | 1.31Å | 1.43Å | Aromatic |
| C41 | C40 | doub | 1.39Å | 1.39Å | Aromatic |
| C38 | N33 | sing | 1.34Å | 1.37Å | Aromatic |
| C38 | C39 | doub | 1.41Å | 1.41Å | Aromatic |
| N33 | C32 | sing | 1.47Å | 1.54Å | |
| C40 | C39 | sing | 1.36Å | 1.39Å | Aromatic |
| C32 | C29 | sing | 1.51Å | 1.42Å | |
| C29 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.42Å | Aromatic |
| C31 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.41Å | Aromatic |
| C26 | C23 | sing | 1.48Å | 1.39Å | |
| C23 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.44Å | |
| C19 | N12 | sing | 1.46Å | 1.49Å | |
| C17 | C18 | doub | 1.36Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.37Å | Aromatic |
| C18 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| N12 | C13 | doub | 1.34Å | 1.37Å | Aromatic |
| N12 | C11 | sing | 1.31Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.36Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.42Å | 1.42Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | C9 | doub | 1.41Å | 1.44Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | N1 | sing | 1.39Å | 1.39Å | |
| C8 | N1 | sing | 1.47Å | 1.50Å | |
| N1 | C1 | sing | 1.40Å | 1.35Å | |
| C6 | C1 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | CL7 | sing | 1.74Å | 1.67Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| C25 | H7 | sing | 1.08Å | 1.08Å | |
| C27 | H8 | sing | 1.08Å | 1.08Å | |
| C32 | H9 | sing | 1.09Å | 1.10Å | |
| C32 | H10 | sing | 1.09Å | 1.10Å | |
| C34 | H11 | sing | 1.08Å | 1.08Å | |
| C35 | H12 | sing | 1.08Å | 1.08Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.08Å | 1.08Å | |
| C11 | H17 | sing | 1.08Å | 1.08Å | |
| C15 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C17 | H20 | sing | 1.08Å | 1.08Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.08Å | 1.08Å | |
| C31 | H25 | sing | 1.08Å | 1.08Å | |
| C30 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | 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 | |
| C42 | H31 | sing | 1.08Å | 1.08Å | |
| C44 | H32 | sing | 1.09Å | 1.10Å | |
| C44 | H33 | sing | 1.09Å | 1.10Å | |
| C44 | H34 | sing | 1.09Å | 1.10Å | |
| C46 | H35 | sing | 1.08Å | 1.08Å | |
| C47 | H36 | sing | 1.08Å | 1.08Å | |
| C49 | H37 | sing | 1.08Å | 1.08Å | |
| C50 | H38 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL5 | C48 | C49 | 121.7° | 120.0° |
| CL5 | C48 | C47 | 118.2° | 119.9° |
| C49 | C48 | C47 | 120.1° | 120.1° |
| C48 | C49 | C50 | 120.4° | 120.1° |
| C48 | C49 | H37 | 119.8° | 119.9° |
| C48 | C47 | C46 | 119.4° | 120.0° |
| C48 | C47 | H36 | 120.3° | 120.0° |
| C49 | C50 | C45 | 121.6° | 119.9° |
| C50 | C49 | H37 | 119.8° | 120.0° |
| C49 | C50 | H38 | 119.2° | 120.0° |
| C47 | C46 | C45 | 123.0° | 120.0° |
| C47 | C46 | H35 | 118.5° | 120.0° |
| C46 | C47 | H36 | 120.3° | 120.0° |
| C50 | C45 | C46 | 115.5° | 119.9° |
| C50 | C45 | N43 | 124.8° | 120.1° |
| C45 | C50 | H38 | 119.2° | 120.0° |
| C46 | C45 | N43 | 119.7° | 120.1° |
| C45 | C46 | H35 | 118.5° | 120.0° |
| C45 | N43 | C36 | 125.0° | 120.0° |
| C45 | N43 | C44 | 116.1° | 120.0° |
| C36 | N43 | C44 | 118.2° | 120.0° |
| N43 | C36 | C35 | 121.6° | 121.1° |
| N43 | C36 | C37 | 120.7° | 121.1° |
| N43 | C44 | H32 | 109.5° | 109.4° |
| N43 | C44 | H33 | 109.5° | 109.5° |
| N43 | C44 | H34 | 109.5° | 109.4° |
| C35 | C36 | C37 | 117.7° | 117.9° |
| C36 | C35 | C34 | 121.2° | 119.7° |
| C36 | C35 | H12 | 119.4° | 120.2° |
| C36 | C37 | C42 | 122.8° | 121.3° |
| C36 | C37 | C38 | 120.1° | 118.9° |
| C35 | C34 | N33 | 121.1° | 121.8° |
| C35 | C34 | H11 | 119.4° | 119.1° |
| C34 | C35 | H12 | 119.4° | 120.1° |
| C37 | C42 | C41 | 123.2° | 119.6° |
| C42 | C37 | C38 | 117.1° | 119.7° |
| C37 | C42 | H31 | 118.4° | 120.2° |
| C42 | C41 | C40 | 119.1° | 120.8° |
| C42 | C41 | H30 | 120.4° | 119.6° |
| C41 | C42 | H31 | 118.4° | 120.2° |
| C37 | C38 | N33 | 121.2° | 120.0° |
| C37 | C38 | C39 | 118.6° | 119.0° |
| C34 | N33 | C38 | 118.6° | 121.7° |
| C34 | N33 | C32 | 117.2° | 119.1° |
| N33 | C34 | H11 | 119.4° | 119.1° |
| C41 | C40 | C39 | 119.6° | 121.1° |
| C41 | C40 | H29 | 120.2° | 119.4° |
| C40 | C41 | H30 | 120.5° | 119.6° |
| N33 | C38 | C39 | 120.2° | 121.0° |
| C38 | N33 | C32 | 124.2° | 119.2° |
| C38 | C39 | C40 | 122.4° | 119.7° |
| C38 | C39 | H28 | 118.8° | 120.1° |
| N33 | C32 | C29 | 113.9° | 109.5° |
| N33 | C32 | H9 | 108.4° | 109.5° |
| N33 | C32 | H10 | 108.3° | 109.5° |
| C40 | C39 | H28 | 118.8° | 120.1° |
| C39 | C40 | H29 | 120.2° | 119.5° |
| C32 | C29 | C30 | 120.0° | 119.9° |
| C32 | C29 | C28 | 122.4° | 119.9° |
| C29 | C32 | H9 | 108.3° | 109.5° |
| C29 | C32 | H10 | 108.3° | 109.5° |
| C30 | C29 | C28 | 117.6° | 120.2° |
| C29 | C30 | C31 | 121.6° | 120.2° |
| C29 | C30 | H26 | 119.2° | 120.0° |
| C29 | C28 | C27 | 120.9° | 120.1° |
| C29 | C28 | H27 | 119.6° | 119.9° |
| C30 | C31 | C26 | 121.7° | 119.8° |
| C30 | C31 | H25 | 119.2° | 120.1° |
| C31 | C30 | H26 | 119.2° | 119.9° |
| C28 | C27 | C26 | 119.8° | 119.8° |
| C28 | C27 | H8 | 120.1° | 120.1° |
| C27 | C28 | H27 | 119.6° | 119.9° |
| C31 | C26 | C27 | 118.4° | 119.8° |
| C31 | C26 | C23 | 112.7° | 120.1° |
| C26 | C31 | H25 | 119.2° | 120.1° |
| C27 | C26 | C23 | 128.9° | 120.1° |
| C26 | C27 | H8 | 120.1° | 120.1° |
| C26 | C23 | C22 | 116.8° | 120.2° |
| C26 | C23 | C24 | 124.5° | 120.1° |
| C22 | C23 | C24 | 118.4° | 119.7° |
| C23 | C22 | C21 | 120.7° | 119.9° |
| C23 | C22 | H5 | 119.7° | 120.1° |
| C23 | C24 | C25 | 120.5° | 119.9° |
| C23 | C24 | H6 | 119.8° | 120.0° |
| C22 | C21 | C20 | 122.5° | 120.1° |
| C21 | C22 | H5 | 119.6° | 120.0° |
| C22 | C21 | H24 | 118.7° | 120.0° |
| C24 | C25 | C20 | 121.0° | 120.1° |
| C25 | C24 | H6 | 119.7° | 120.0° |
| C24 | C25 | H7 | 119.5° | 119.9° |
| C21 | C20 | C25 | 116.7° | 120.2° |
| C21 | C20 | C19 | 120.7° | 119.9° |
| C20 | C21 | H24 | 118.8° | 119.9° |
| C25 | C20 | C19 | 122.6° | 119.9° |
| C20 | C25 | H7 | 119.4° | 120.0° |
| C20 | C19 | N12 | 106.5° | 109.5° |
| C20 | C19 | H22 | 110.2° | 109.5° |
| C20 | C19 | H23 | 110.3° | 109.4° |
| C19 | N12 | C13 | 124.5° | 119.2° |
| C19 | N12 | C11 | 115.1° | 119.2° |
| N12 | C19 | H22 | 110.2° | 109.5° |
| N12 | C19 | H23 | 110.2° | 109.5° |
| C18 | C17 | C16 | 117.4° | 121.0° |
| C17 | C18 | C13 | 124.4° | 119.8° |
| C18 | C17 | H20 | 121.3° | 119.5° |
| C17 | C18 | H21 | 117.8° | 120.1° |
| C17 | C16 | C15 | 120.3° | 120.8° |
| C17 | C16 | H19 | 119.9° | 119.6° |
| C16 | C17 | H20 | 121.3° | 119.4° |
| C18 | C13 | N12 | 120.7° | 121.0° |
| C18 | C13 | C14 | 118.5° | 119.1° |
| C13 | C18 | H21 | 117.8° | 120.1° |
| C13 | N12 | C11 | 120.3° | 121.6° |
| N12 | C13 | C14 | 120.8° | 119.9° |
| N12 | C11 | C10 | 120.0° | 121.9° |
| N12 | C11 | H17 | 120.0° | 119.1° |
| C16 | C15 | C14 | 123.5° | 119.6° |
| C16 | C15 | H18 | 118.2° | 120.2° |
| C15 | C16 | H19 | 119.8° | 119.6° |
| C13 | C14 | C15 | 115.8° | 119.7° |
| C13 | C14 | C9 | 119.0° | 119.0° |
| C11 | C10 | C9 | 122.8° | 119.6° |
| C11 | C10 | H16 | 118.6° | 120.2° |
| C10 | C11 | H17 | 120.0° | 119.0° |
| C15 | C14 | C9 | 125.2° | 121.4° |
| C14 | C15 | H18 | 118.2° | 120.2° |
| C14 | C9 | C10 | 117.1° | 117.9° |
| C14 | C9 | N1 | 124.3° | 121.1° |
| C10 | C9 | N1 | 118.6° | 121.0° |
| C9 | C10 | H16 | 118.6° | 120.2° |
| C9 | N1 | C8 | 120.4° | 120.0° |
| C9 | N1 | C1 | 123.8° | 120.0° |
| C8 | N1 | C1 | 115.6° | 120.0° |
| N1 | C8 | H13 | 109.5° | 109.4° |
| N1 | C8 | H14 | 109.5° | 109.4° |
| N1 | C8 | H15 | 109.5° | 109.5° |
| N1 | C1 | C6 | 119.9° | 120.0° |
| N1 | C1 | C2 | 122.3° | 120.1° |
| C1 | C6 | C5 | 121.4° | 119.9° |
| C6 | C1 | C2 | 117.8° | 119.9° |
| C1 | C6 | H4 | 119.3° | 120.0° |
| C6 | C5 | C4 | 119.5° | 120.1° |
| C6 | C5 | H3 | 120.3° | 119.9° |
| C5 | C6 | H4 | 119.3° | 120.1° |
| C1 | C2 | C3 | 120.4° | 119.9° |
| C1 | C2 | H1 | 119.8° | 120.0° |
| C5 | C4 | C3 | 120.2° | 120.1° |
| C5 | C4 | CL7 | 119.9° | 119.9° |
| C4 | C5 | H3 | 120.3° | 120.0° |
| C2 | C3 | C4 | 120.7° | 120.1° |
| C3 | C2 | H1 | 119.8° | 120.0° |
| C2 | C3 | H2 | 119.6° | 120.0° |
| C3 | C4 | CL7 | 119.9° | 120.0° |
| C4 | C3 | H2 | 119.6° | 120.0° |
| H9 | C32 | H10 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| H13 | C8 | H15 | 109.5° | 109.5° |
| H14 | C8 | H15 | 109.4° | 109.5° |
| H22 | C19 | H23 | 109.4° | 109.4° |
| H32 | C44 | H33 | 109.5° | 109.5° |
| H32 | C44 | H34 | 109.5° | 109.5° |
| H33 | C44 | H34 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL5 | C48 | C49 | C47 | 179.8° | 179.7° |
| CL5 | C48 | C49 | C50 | 179.5° | 180.0° |
| CL5 | C48 | C47 | C46 | 179.3° | 179.7° |
| CL5 | C48 | C47 | H36 | 0.6° | 0.2° |
| CL5 | C48 | C49 | H37 | 0.5° | 0.2° |
| C48 | C49 | C50 | H37 | 180.0° | 179.8° |
| C49 | C48 | C47 | C46 | 0.5° | 0.0° |
| C48 | C49 | C50 | C45 | 0.2° | 0.5° |
| C49 | C48 | C47 | H36 | 179.5° | 179.9° |
| C48 | C49 | C50 | H38 | 179.8° | 180.0° |
| C47 | C48 | C49 | C50 | 0.3° | 0.2° |
| C48 | C47 | C46 | H36 | 180.0° | 179.9° |
| C48 | C47 | C46 | C45 | 0.2° | 0.0° |
| C48 | C47 | C46 | H35 | 179.8° | 180.0° |
| C47 | C48 | C49 | H37 | 179.7° | 179.9° |
| C49 | C50 | C45 | H38 | 180.0° | 179.5° |
| C49 | C50 | C45 | C46 | 0.6° | 0.5° |
| C49 | C50 | C45 | N43 | 178.9° | 179.7° |
| C47 | C46 | C45 | C50 | 0.4° | 0.2° |
| C47 | C46 | C45 | H35 | 180.0° | 180.0° |
| C47 | C46 | C45 | N43 | 178.8° | 180.0° |
| C50 | C45 | C46 | N43 | 178.4° | 179.8° |
| C50 | C45 | N43 | C36 | 2.7° | 0.3° |
| C50 | C45 | N43 | C44 | 172.5° | 179.8° |
| C50 | C45 | C46 | H35 | 179.6° | 179.8° |
| C45 | C50 | C49 | H37 | 179.7° | 179.7° |
| C46 | C45 | N43 | C36 | 175.5° | 180.0° |
| C46 | C45 | N43 | C44 | 5.8° | 0.0° |
| C45 | C46 | C47 | H36 | 179.9° | 179.9° |
| C46 | C45 | C50 | H38 | 179.5° | 180.0° |
| C45 | N43 | C36 | C44 | 169.6° | 180.0° |
| C45 | N43 | C36 | C35 | 47.4° | 90.0° |
| C45 | N43 | C36 | C37 | 135.9° | 90.0° |
| C45 | N43 | C44 | H32 | 180.0° | 90.0° |
| C45 | N43 | C44 | H33 | 60.0° | 30.0° |
| C45 | N43 | C44 | H34 | 60.0° | 150.0° |
| N43 | C45 | C46 | H35 | 1.2° | 0.0° |
| N43 | C45 | C50 | H38 | 1.1° | 0.2° |
| N43 | C36 | C35 | C37 | 176.8° | 180.0° |
| N43 | C36 | C35 | C34 | 179.0° | 179.9° |
| N43 | C36 | C37 | C42 | 2.3° | 0.0° |
| N43 | C36 | C37 | C38 | 178.4° | 179.8° |
| N43 | C36 | C35 | H12 | 1.0° | 0.0° |
| C36 | N43 | C44 | H32 | 9.5° | 90.0° |
| C36 | N43 | C44 | H33 | 110.5° | 150.0° |
| C36 | N43 | C44 | H34 | 129.5° | 30.0° |
| C44 | N43 | C36 | C35 | 122.2° | 90.0° |
| C44 | N43 | C36 | C37 | 54.5° | 90.1° |
| N43 | C44 | H32 | H33 | 120.0° | 120.0° |
| N43 | C44 | H32 | H34 | 120.0° | 119.9° |
| N43 | C44 | H33 | H34 | 120.0° | 120.0° |
| C36 | C35 | C34 | H12 | 180.0° | 179.9° |
| C35 | C36 | C37 | C42 | 179.1° | 180.0° |
| C35 | C36 | C37 | C38 | 1.6° | 0.2° |
| C36 | C35 | C34 | N33 | 1.5° | 0.1° |
| C36 | C35 | C34 | H11 | 178.5° | 180.0° |
| C37 | C36 | C35 | C34 | 2.3° | 0.1° |
| C36 | C37 | C42 | C38 | 179.3° | 179.8° |
| C36 | C37 | C42 | C41 | 179.9° | 179.8° |
| C36 | C37 | C38 | N33 | 0.2° | 0.5° |
| C36 | C37 | C38 | C39 | 179.4° | 180.0° |
| C37 | C36 | C35 | H12 | 177.7° | 180.0° |
| C36 | C37 | C42 | H31 | 0.1° | 0.1° |
| C35 | C34 | N33 | H11 | 180.0° | 179.9° |
| C35 | C34 | N33 | C38 | 0.0° | 0.2° |
| C35 | C34 | N33 | C32 | 178.8° | 180.0° |
| C37 | C42 | C41 | H31 | 180.0° | 179.9° |
| C37 | C42 | C41 | C40 | 0.2° | 0.4° |
| C42 | C37 | C38 | N33 | 179.5° | 179.7° |
| C42 | C37 | C38 | C39 | 0.1° | 0.2° |
| C37 | C42 | C41 | H30 | 179.8° | 179.8° |
| C41 | C42 | C37 | C38 | 0.5° | 0.4° |
| C42 | C41 | C40 | H30 | 180.0° | 179.8° |
| C42 | C41 | C40 | C39 | 0.6° | 0.2° |
| C42 | C41 | C40 | H29 | 179.3° | 179.7° |
| C37 | C38 | N33 | C34 | 0.6° | 0.5° |
| C37 | C38 | N33 | C39 | 179.6° | 179.5° |
| C37 | C38 | N33 | C32 | 179.4° | 179.8° |
| C37 | C38 | C39 | C40 | 0.8° | 0.0° |
| C37 | C38 | C39 | H28 | 179.2° | 180.0° |
| C38 | C37 | C42 | H31 | 179.4° | 179.7° |
| C34 | N33 | C38 | C32 | 178.8° | 179.7° |
| C34 | N33 | C38 | C39 | 179.8° | 180.0° |
| C34 | N33 | C32 | C29 | 101.2° | 92.4° |
| C34 | N33 | C32 | H9 | 138.2° | 27.5° |
| C34 | N33 | C32 | H10 | 19.5° | 147.6° |
| N33 | C34 | C35 | H12 | 178.5° | 180.0° |
| C41 | C40 | C39 | C38 | 1.1° | 0.0° |
| C41 | C40 | C39 | H29 | 180.0° | 180.0° |
| C41 | C40 | C39 | H28 | 178.9° | 180.0° |
| C40 | C41 | C42 | H31 | 179.8° | 179.7° |
| N33 | C38 | C39 | C40 | 179.6° | 179.5° |
| C38 | N33 | C32 | C29 | 77.6° | 87.3° |
| C38 | N33 | C32 | H9 | 43.0° | 152.7° |
| C38 | N33 | C32 | H10 | 161.8° | 32.7° |
| C38 | N33 | C34 | H11 | 180.0° | 179.7° |
| N33 | C38 | C39 | H28 | 0.4° | 0.6° |
| C39 | C38 | N33 | C32 | 1.0° | 0.3° |
| C38 | C39 | C40 | H28 | 180.0° | 179.9° |
| C38 | C39 | C40 | H29 | 178.8° | 179.9° |
| N33 | C32 | C29 | H9 | 120.7° | 120.0° |
| N33 | C32 | C29 | H10 | 120.6° | 120.0° |
| N33 | C32 | C29 | C30 | 16.0° | 83.7° |
| N33 | C32 | C29 | C28 | 164.1° | 96.0° |
| N33 | C32 | H9 | H10 | 118.0° | 120.0° |
| C32 | N33 | C34 | H11 | 1.1° | 0.0° |
| C39 | C40 | C41 | H30 | 179.4° | 180.0° |
| C32 | C29 | C30 | C28 | 179.9° | 179.7° |
| C32 | C29 | C30 | C31 | 179.2° | 179.9° |
| C32 | C29 | C28 | C27 | 179.6° | 179.9° |
| C29 | C32 | H9 | H10 | 118.0° | 120.0° |
| C32 | C29 | C30 | H26 | 0.8° | 0.0° |
| C32 | C29 | C28 | H27 | 0.4° | 0.0° |
| C29 | C30 | C31 | H26 | 180.0° | 179.9° |
| C30 | C29 | C28 | C27 | 0.5° | 0.4° |
| C29 | C30 | C31 | C26 | 1.5° | 0.1° |
| C30 | C29 | C32 | H9 | 136.7° | 36.3° |
| C30 | C29 | C32 | H10 | 104.6° | 156.3° |
| C29 | C30 | C31 | H25 | 178.6° | 179.9° |
| C30 | C29 | C28 | H27 | 179.5° | 179.7° |
| C28 | C29 | C30 | C31 | 0.9° | 0.4° |
| C29 | C28 | C27 | H27 | 180.0° | 179.9° |
| C29 | C28 | C27 | C26 | 0.5° | 0.1° |
| C29 | C28 | C27 | H8 | 179.5° | 180.0° |
| C28 | C29 | C32 | H9 | 43.4° | 144.1° |
| C28 | C29 | C32 | H10 | 75.3° | 24.0° |
| C28 | C29 | C30 | H26 | 179.1° | 179.7° |
| C30 | C31 | C26 | H25 | 180.0° | 180.0° |
| C30 | C31 | C26 | C27 | 1.5° | 0.2° |
| C30 | C31 | C26 | C23 | 179.8° | 180.0° |
| C28 | C27 | C26 | C31 | 1.0° | 0.2° |
| C28 | C27 | C26 | H8 | 180.0° | 179.9° |
| C28 | C27 | C26 | C23 | 179.4° | 180.0° |
| C31 | C26 | C27 | C23 | 178.5° | 179.7° |
| C31 | C26 | C23 | C22 | 59.3° | 0.3° |
| C31 | C26 | C23 | C24 | 115.1° | 179.8° |
| C31 | C26 | C27 | H8 | 179.0° | 179.7° |
| C26 | C31 | C30 | H26 | 178.6° | 180.0° |
| C27 | C26 | C23 | C22 | 122.1° | 180.0° |
| C27 | C26 | C23 | C24 | 63.4° | 0.0° |
| C27 | C26 | C31 | H25 | 178.5° | 179.8° |
| C26 | C27 | C28 | H27 | 179.5° | 180.0° |
| C26 | C23 | C22 | C24 | 174.8° | 180.0° |
| C26 | C23 | C22 | C21 | 176.0° | 180.0° |
| C26 | C23 | C24 | C25 | 176.3° | 180.0° |
| C26 | C23 | C22 | H5 | 4.0° | 0.2° |
| C26 | C23 | C24 | H6 | 3.7° | 0.3° |
| C23 | C26 | C27 | H8 | 0.5° | 0.1° |
| C23 | C26 | C31 | H25 | 0.2° | 0.0° |
| C23 | C22 | C21 | H5 | 180.0° | 179.7° |
| C22 | C23 | C24 | C25 | 1.9° | 0.1° |
| C23 | C22 | C21 | C20 | 0.4° | 0.3° |
| C22 | C23 | C24 | H6 | 178.0° | 179.7° |
| C23 | C22 | C21 | H24 | 179.6° | 179.8° |
| C24 | C23 | C22 | C21 | 1.2° | 0.0° |
| C23 | C24 | C25 | H6 | 180.0° | 179.7° |
| C23 | C24 | C25 | C20 | 2.0° | 0.2° |
| C24 | C23 | C22 | H5 | 178.8° | 179.7° |
| C23 | C24 | C25 | H7 | 178.0° | 179.7° |
| C22 | C21 | C20 | H24 | 180.0° | 179.9° |
| C22 | C21 | C20 | C25 | 0.4° | 0.5° |
| C22 | C21 | C20 | C19 | 178.5° | 180.0° |
| C24 | C25 | C20 | C21 | 1.1° | 0.5° |
| C24 | C25 | C20 | H7 | 180.0° | 179.8° |
| C24 | C25 | C20 | C19 | 179.2° | 180.0° |
| C21 | C20 | C25 | C19 | 178.1° | 179.5° |
| C21 | C20 | C19 | N12 | 100.8° | 96.7° |
| C20 | C21 | C22 | H5 | 179.6° | 180.0° |
| C21 | C20 | C25 | H7 | 178.9° | 179.4° |
| C21 | C20 | C19 | H22 | 18.7° | 143.3° |
| C21 | C20 | C19 | H23 | 139.6° | 23.3° |
| C25 | C20 | C19 | N12 | 77.2° | 83.8° |
| C20 | C25 | C24 | H6 | 178.0° | 179.9° |
| C25 | C20 | C19 | H22 | 163.3° | 36.3° |
| C25 | C20 | C19 | H23 | 42.4° | 156.2° |
| C25 | C20 | C21 | H24 | 179.6° | 179.6° |
| C20 | C19 | N12 | H22 | 119.5° | 120.0° |
| C20 | C19 | N12 | H23 | 119.6° | 120.0° |
| C20 | C19 | N12 | C13 | 77.5° | 87.6° |
| C20 | C19 | N12 | C11 | 99.0° | 92.8° |
| C19 | C20 | C25 | H7 | 0.8° | 0.1° |
| C20 | C19 | H22 | H23 | 121.4° | 119.9° |
| C19 | C20 | C21 | H24 | 1.5° | 0.0° |
| C19 | N12 | C13 | C18 | 3.4° | 0.0° |
| C19 | N12 | C13 | C11 | 176.3° | 179.7° |
| C19 | N12 | C13 | C14 | 177.2° | 180.0° |
| C19 | N12 | C11 | C10 | 177.8° | 179.9° |
| C19 | N12 | C11 | H17 | 2.1° | 0.1° |
| N12 | C19 | H22 | H23 | 121.4° | 120.0° |
| C18 | C17 | C16 | H20 | 180.0° | 180.0° |
| C17 | C18 | C13 | H21 | 180.0° | 180.0° |
| C17 | C18 | C13 | N12 | 179.9° | 180.0° |
| C18 | C17 | C16 | C15 | 0.7° | 0.1° |
| C17 | C18 | C13 | C14 | 0.6° | 0.1° |
| C18 | C17 | C16 | H19 | 179.3° | 180.0° |
| C16 | C17 | C18 | C13 | 0.1° | 0.0° |
| C17 | C16 | C15 | H19 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 0.7° | 0.1° |
| C17 | C16 | C15 | H18 | 179.3° | 180.0° |
| C16 | C17 | C18 | H21 | 179.8° | 180.0° |
| C18 | C13 | N12 | C14 | 179.5° | 180.0° |
| C18 | C13 | N12 | C11 | 179.7° | 179.7° |
| C18 | C13 | C14 | C15 | 0.6° | 0.0° |
| C18 | C13 | C14 | C9 | 179.6° | 180.0° |
| C13 | C18 | C17 | H20 | 179.9° | 180.0° |
| C13 | N12 | C11 | C10 | 1.2° | 0.4° |
| N12 | C13 | C14 | C15 | 179.9° | 180.0° |
| N12 | C13 | C14 | C9 | 0.1° | 0.0° |
| C13 | N12 | C11 | H17 | 178.8° | 179.8° |
| N12 | C13 | C18 | H21 | 0.1° | 0.0° |
| C13 | N12 | C19 | H22 | 42.0° | 152.4° |
| C13 | N12 | C19 | H23 | 162.9° | 32.5° |
| C11 | N12 | C13 | C14 | 0.8° | 0.3° |
| N12 | C11 | C10 | H17 | 180.0° | 179.8° |
| N12 | C11 | C10 | C9 | 0.8° | 0.1° |
| N12 | C11 | C10 | H16 | 179.2° | 180.0° |
| C11 | N12 | C19 | H22 | 141.5° | 27.3° |
| C11 | N12 | C19 | H23 | 20.6° | 147.2° |
| C16 | C15 | C14 | C13 | 0.1° | 0.0° |
| C16 | C15 | C14 | H18 | 180.0° | 180.0° |
| C16 | C15 | C14 | C9 | 179.8° | 179.9° |
| C15 | C16 | C17 | H20 | 179.3° | 179.9° |
| C13 | C14 | C15 | C9 | 179.8° | 179.9° |
| C13 | C14 | C9 | C10 | 0.3° | 0.3° |
| C13 | C14 | C9 | N1 | 179.2° | 180.0° |
| C13 | C14 | C15 | H18 | 179.9° | 180.0° |
| C14 | C13 | C18 | H21 | 179.4° | 180.0° |
| C11 | C10 | C9 | C14 | 0.0° | 0.2° |
| C11 | C10 | C9 | H16 | 180.0° | 179.9° |
| C11 | C10 | C9 | N1 | 178.9° | 180.0° |
| C15 | C14 | C9 | C10 | 179.4° | 179.8° |
| C15 | C14 | C9 | N1 | 0.6° | 0.0° |
| C14 | C15 | C16 | H19 | 179.3° | 180.0° |
| C14 | C9 | C10 | N1 | 178.9° | 179.7° |
| C14 | C9 | N1 | C8 | 137.2° | 89.7° |
| C14 | C9 | N1 | C1 | 36.4° | 90.3° |
| C14 | C9 | C10 | H16 | 180.0° | 179.7° |
| C9 | C14 | C15 | H18 | 0.2° | 0.0° |
| C10 | C9 | N1 | C8 | 41.6° | 90.0° |
| C10 | C9 | N1 | C1 | 144.7° | 90.0° |
| C9 | C10 | C11 | H17 | 179.2° | 179.9° |
| C9 | N1 | C8 | C1 | 174.2° | 180.0° |
| C9 | N1 | C1 | C6 | 138.1° | 0.3° |
| C9 | N1 | C1 | C2 | 39.9° | 180.0° |
| C9 | N1 | C8 | H13 | 180.0° | 90.0° |
| C9 | N1 | C8 | H14 | 60.0° | 30.0° |
| C9 | N1 | C8 | H15 | 60.0° | 150.0° |
| N1 | C9 | C10 | H16 | 1.1° | 0.0° |
| C8 | N1 | C1 | C6 | 35.8° | 179.7° |
| C8 | N1 | C1 | C2 | 146.2° | 0.0° |
| N1 | C8 | H13 | H14 | 120.0° | 120.0° |
| N1 | C8 | H13 | H15 | 120.0° | 120.0° |
| N1 | C8 | H14 | H15 | 120.0° | 120.0° |
| N1 | C1 | C6 | C2 | 178.1° | 179.7° |
| N1 | C1 | C6 | C5 | 178.7° | 179.7° |
| N1 | C1 | C2 | C3 | 178.5° | 179.7° |
| N1 | C1 | C2 | H1 | 1.5° | 0.4° |
| N1 | C1 | C6 | H4 | 1.3° | 0.2° |
| C1 | N1 | C8 | H13 | 5.8° | 90.0° |
| C1 | N1 | C8 | H14 | 125.9° | 150.0° |
| C1 | N1 | C8 | H15 | 114.2° | 30.0° |
| C1 | C6 | C5 | H4 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.5° | 0.1° |
| C6 | C1 | C2 | C3 | 0.5° | 0.1° |
| C6 | C1 | C2 | H1 | 179.6° | 180.0° |
| C1 | C6 | C5 | H3 | 179.5° | 180.0° |
| C5 | C6 | C1 | C2 | 0.6° | 0.1° |
| C6 | C5 | C4 | H3 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.2° | 0.1° |
| C6 | C5 | C4 | CL7 | 180.0° | 180.0° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.2° | 0.1° |
| C1 | C2 | C3 | H2 | 179.7° | 179.9° |
| C2 | C1 | C6 | H4 | 179.4° | 179.9° |
| C5 | C4 | C3 | C2 | 0.1° | 0.1° |
| C5 | C4 | C3 | CL7 | 179.7° | 179.9° |
| C5 | C4 | C3 | H2 | 179.8° | 179.9° |
| C4 | C5 | C6 | H4 | 179.5° | 179.9° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | CL7 | 179.9° | 180.0° |
| C4 | C3 | C2 | H1 | 179.8° | 180.0° |
| C3 | C4 | C5 | H3 | 179.7° | 180.0° |
| CL7 | C4 | C3 | H2 | 0.1° | 0.0° |
| CL7 | C4 | C5 | H3 | 0.0° | 0.0° |
| H1 | C2 | C3 | H2 | 0.2° | 0.0° |
| H3 | C5 | C6 | H4 | 0.5° | 0.0° |
| H5 | C22 | C21 | H24 | 0.4° | 0.1° |
| H6 | C24 | C25 | H7 | 2.0° | 0.1° |
| H8 | C27 | C28 | H27 | 0.5° | 0.1° |
| H11 | C34 | C35 | H12 | 1.5° | 0.1° |
| H13 | C8 | H14 | H15 | 120.0° | 120.0° |
| H16 | C10 | C11 | H17 | 0.8° | 0.2° |
| H18 | C15 | C16 | H19 | 0.7° | 0.1° |
| H19 | C16 | C17 | H20 | 0.7° | 0.0° |
| H20 | C17 | C18 | H21 | 0.2° | 0.0° |
| H25 | C31 | C30 | H26 | 1.4° | 0.0° |
| H28 | C39 | C40 | H29 | 1.2° | 0.0° |
| H29 | C40 | C41 | H30 | 0.7° | 0.1° |
| H30 | C41 | C42 | H31 | 0.2° | 0.1° |
| H32 | C44 | H33 | H34 | 120.0° | 120.1° |
| H35 | C46 | C47 | H36 | 0.1° | 0.1° |
| H37 | C49 | C50 | H38 | 0.2° | 0.1° |
