A1B3B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F37 | C27 | sing | 1.40Å | 1.36Å | |
| C23 | C26 | sing | 1.53Å | 1.51Å | |
| C27 | C17 | sing | 1.51Å | 1.50Å | |
| C27 | F39 | sing | 1.40Å | 1.36Å | |
| C27 | F38 | sing | 1.40Å | 1.38Å | |
| O35 | C17 | doub | 1.21Å | 1.22Å | |
| C17 | N32 | sing | 1.35Å | 1.37Å | |
| N32 | C25 | sing | 1.46Å | 1.46Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C26 | C24 | sing | 1.53Å | 1.51Å | |
| C25 | C16 | sing | 1.51Å | 1.50Å | |
| CL40 | C14 | sing | 1.74Å | 1.70Å | |
| C16 | N31 | sing | 1.35Å | 1.37Å | |
| C16 | O34 | doub | 1.21Å | 1.23Å | |
| C14 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| N31 | C22 | sing | 1.46Å | 1.44Å | |
| C4 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C21 | sing | 1.51Å | 1.52Å | |
| C11 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.53Å | 1.56Å | |
| C22 | C20 | sing | 1.53Å | 1.54Å | |
| C21 | C18 | sing | 1.53Å | 1.57Å | |
| C13 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | F36 | sing | 1.35Å | 1.38Å | |
| C20 | N30 | sing | 1.47Å | 1.48Å | |
| C6 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | N29 | doub | 1.31Å | 1.36Å | Aromatic |
| C1 | C2 | doub | 1.37Å | 1.40Å | Aromatic |
| N29 | C12 | sing | 1.33Å | 1.36Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C2 | C9 | sing | 1.41Å | 1.41Å | Aromatic |
| N30 | C19 | sing | 1.47Å | 1.49Å | |
| N30 | C15 | sing | 1.35Å | 1.37Å | |
| C12 | C9 | doub | 1.42Å | 1.43Å | Aromatic |
| C12 | C10 | sing | 1.42Å | 1.41Å | Aromatic |
| C9 | C7 | sing | 1.40Å | 1.41Å | Aromatic |
| C15 | C10 | sing | 1.47Å | 1.50Å | |
| C15 | O33 | doub | 1.22Å | 1.22Å | |
| C10 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | N28 | doub | 1.31Å | 1.36Å | Aromatic |
| C8 | N28 | sing | 1.32Å | 1.36Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.08Å | 1.08Å | |
| C2 | H15 | sing | 1.08Å | 1.08Å | |
| C3 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| N31 | H25 | sing | 0.97Å | 1.00Å | |
| N32 | H26 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F37 | C27 | C17 | 109.2° | 109.4° |
| F37 | C27 | F39 | 100.4° | 109.5° |
| F37 | C27 | F38 | 113.1° | 109.5° |
| C23 | C26 | C25 | 110.5° | 109.5° |
| C23 | C26 | C24 | 109.5° | 109.5° |
| C23 | C26 | H13 | 108.6° | 109.4° |
| C26 | C23 | H21 | 109.5° | 109.5° |
| C26 | C23 | H22 | 109.4° | 109.5° |
| C26 | C23 | H23 | 109.4° | 109.5° |
| C17 | C27 | F39 | 116.5° | 109.5° |
| C17 | C27 | F38 | 108.1° | 109.5° |
| C27 | C17 | O35 | 119.4° | 120.0° |
| C27 | C17 | N32 | 114.8° | 120.0° |
| F39 | C27 | F38 | 109.5° | 109.5° |
| O35 | C17 | N32 | 125.8° | 120.0° |
| C17 | N32 | C25 | 120.7° | 120.0° |
| C17 | N32 | H26 | 119.7° | 119.9° |
| N32 | C25 | C26 | 108.1° | 109.4° |
| N32 | C25 | C16 | 107.2° | 109.5° |
| N32 | C25 | H24 | 110.6° | 109.4° |
| C25 | N32 | H26 | 119.7° | 120.0° |
| C25 | C26 | C24 | 111.3° | 109.5° |
| C26 | C25 | C16 | 111.2° | 109.5° |
| C25 | C26 | H13 | 108.3° | 109.4° |
| C26 | C25 | H24 | 109.7° | 109.5° |
| C26 | C24 | H10 | 109.5° | 109.5° |
| C26 | C24 | H11 | 109.5° | 109.4° |
| C26 | C24 | H12 | 109.4° | 109.5° |
| C24 | C26 | H13 | 108.5° | 109.5° |
| C25 | C16 | N31 | 111.4° | 120.0° |
| C25 | C16 | O34 | 124.2° | 120.0° |
| C16 | C25 | H24 | 110.0° | 109.5° |
| CL40 | C14 | C4 | 117.0° | 120.0° |
| CL40 | C14 | C5 | 118.9° | 120.0° |
| N31 | C16 | O34 | 124.4° | 120.0° |
| C16 | N31 | C22 | 117.6° | 120.0° |
| C16 | N31 | H25 | 121.2° | 120.0° |
| C4 | C14 | C5 | 124.1° | 119.9° |
| C14 | C4 | C11 | 117.4° | 120.1° |
| C14 | C4 | H1 | 121.3° | 119.9° |
| C14 | C5 | C13 | 118.6° | 120.0° |
| C14 | C5 | H2 | 120.7° | 120.0° |
| N31 | C22 | C21 | 109.7° | 109.5° |
| N31 | C22 | C20 | 109.4° | 109.5° |
| N31 | C22 | H9 | 109.1° | 109.6° |
| C22 | N31 | H25 | 121.2° | 120.0° |
| C4 | C11 | C21 | 119.0° | 120.0° |
| C4 | C11 | C3 | 119.2° | 120.0° |
| C11 | C4 | H1 | 121.3° | 120.0° |
| C5 | C13 | C3 | 117.5° | 120.0° |
| C5 | C13 | F36 | 120.2° | 120.0° |
| C13 | C5 | H2 | 120.7° | 120.0° |
| C21 | C11 | C3 | 121.8° | 120.0° |
| C11 | C21 | C22 | 110.7° | 109.4° |
| C11 | C21 | C18 | 112.0° | 109.4° |
| C11 | C21 | H8 | 107.6° | 109.5° |
| C11 | C3 | C13 | 123.3° | 120.0° |
| C11 | C3 | H16 | 118.3° | 120.0° |
| C21 | C22 | C20 | 113.2° | 109.3° |
| C22 | C21 | C18 | 112.1° | 109.6° |
| C22 | C21 | H8 | 107.1° | 109.5° |
| C21 | C22 | H9 | 107.6° | 109.5° |
| C22 | C20 | N30 | 109.5° | 108.8° |
| C22 | C20 | H6 | 109.5° | 109.6° |
| C22 | C20 | H7 | 109.5° | 109.7° |
| C20 | C22 | H9 | 107.8° | 109.5° |
| C21 | C18 | C19 | 111.2° | 109.3° |
| C18 | C21 | H8 | 107.1° | 109.4° |
| C21 | C18 | H17 | 109.0° | 109.5° |
| C21 | C18 | H18 | 109.0° | 109.5° |
| C3 | C13 | F36 | 122.3° | 120.0° |
| C13 | C3 | H16 | 118.4° | 120.0° |
| C20 | N30 | C19 | 117.6° | 118.7° |
| C20 | N30 | C15 | 123.4° | 120.6° |
| N30 | C20 | H6 | 109.5° | 109.6° |
| N30 | C20 | H7 | 109.5° | 109.6° |
| C1 | C6 | N29 | 123.1° | 121.7° |
| C6 | C1 | C2 | 119.4° | 120.0° |
| C1 | C6 | H3 | 118.5° | 119.2° |
| C6 | C1 | H14 | 120.3° | 120.0° |
| C6 | N29 | C12 | 118.4° | 121.2° |
| N29 | C6 | H3 | 118.5° | 119.1° |
| C1 | C2 | C9 | 118.6° | 118.0° |
| C2 | C1 | H14 | 120.3° | 120.0° |
| C1 | C2 | H15 | 120.7° | 121.0° |
| N29 | C12 | C9 | 121.7° | 120.2° |
| N29 | C12 | C10 | 120.5° | 122.0° |
| C18 | C19 | N30 | 111.7° | 108.8° |
| C19 | C18 | H17 | 109.1° | 109.5° |
| C19 | C18 | H18 | 109.1° | 109.5° |
| C18 | C19 | H19 | 108.9° | 109.6° |
| C18 | C19 | H20 | 108.9° | 109.6° |
| C2 | C9 | C12 | 118.7° | 118.9° |
| C2 | C9 | C7 | 122.0° | 122.0° |
| C9 | C2 | H15 | 120.7° | 121.0° |
| C19 | N30 | C15 | 119.0° | 120.7° |
| N30 | C19 | H19 | 108.9° | 109.5° |
| N30 | C19 | H20 | 108.9° | 109.8° |
| N30 | C15 | C10 | 122.3° | 120.0° |
| N30 | C15 | O33 | 122.3° | 120.0° |
| C9 | C12 | C10 | 117.8° | 117.8° |
| C12 | C9 | C7 | 119.3° | 119.0° |
| C12 | C10 | C15 | 122.3° | 120.8° |
| C12 | C10 | C8 | 119.6° | 118.4° |
| C9 | C7 | N28 | 121.8° | 120.3° |
| C9 | C7 | H4 | 119.1° | 119.8° |
| C10 | C15 | O33 | 115.4° | 120.0° |
| C15 | C10 | C8 | 118.1° | 120.8° |
| C10 | C8 | N28 | 122.5° | 121.6° |
| C10 | C8 | H5 | 118.8° | 119.2° |
| C7 | N28 | C8 | 119.1° | 122.8° |
| N28 | C7 | H4 | 119.1° | 119.8° |
| N28 | C8 | H5 | 118.8° | 119.2° |
| H6 | C20 | H7 | 109.4° | 109.6° |
| H10 | C24 | H11 | 109.5° | 109.5° |
| H10 | C24 | H12 | 109.5° | 109.5° |
| H11 | C24 | H12 | 109.5° | 109.5° |
| H17 | C18 | H18 | 109.5° | 109.6° |
| H19 | C19 | H20 | 109.5° | 109.6° |
| H21 | C23 | H22 | 109.4° | 109.4° |
| H21 | C23 | H23 | 109.5° | 109.5° |
| H22 | C23 | H23 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F37 | C27 | C17 | F39 | 112.8° | 120.0° |
| F37 | C27 | C17 | F38 | 123.4° | 120.0° |
| F37 | C27 | F39 | F38 | 119.3° | 120.0° |
| F37 | C27 | C17 | O35 | 77.9° | 120.0° |
| F37 | C27 | C17 | N32 | 104.3° | 60.0° |
| C23 | C26 | C25 | N32 | 56.4° | 65.2° |
| C23 | C26 | C25 | C24 | 121.9° | 120.1° |
| C23 | C26 | C25 | H13 | 118.8° | 119.9° |
| C23 | C26 | C24 | H13 | 118.3° | 120.0° |
| C23 | C26 | C25 | C16 | 173.8° | 174.8° |
| C23 | C26 | C24 | H10 | 180.0° | 175.4° |
| C23 | C26 | C24 | H11 | 60.0° | 55.4° |
| C23 | C26 | C24 | H12 | 60.0° | 64.6° |
| C26 | C23 | H21 | H22 | 120.0° | 120.0° |
| C26 | C23 | H21 | H23 | 120.0° | 120.1° |
| C26 | C23 | H22 | H23 | 120.0° | 120.0° |
| C23 | C26 | C25 | H24 | 64.3° | 54.7° |
| C17 | C27 | F39 | F38 | 123.0° | 120.0° |
| C27 | C17 | O35 | N32 | 177.6° | 179.9° |
| C27 | C17 | N32 | C25 | 178.9° | 180.0° |
| C27 | C17 | N32 | H26 | 1.1° | 0.0° |
| F39 | C27 | C17 | O35 | 169.3° | 0.1° |
| F39 | C27 | C17 | N32 | 8.5° | 180.0° |
| F38 | C27 | C17 | O35 | 45.6° | 120.0° |
| F38 | C27 | C17 | N32 | 132.3° | 60.0° |
| O35 | C17 | N32 | C25 | 3.5° | 0.0° |
| O35 | C17 | N32 | H26 | 176.6° | 180.0° |
| C17 | N32 | C25 | H26 | 180.0° | 180.0° |
| C17 | N32 | C25 | C26 | 155.7° | 85.0° |
| C17 | N32 | C25 | C16 | 84.3° | 155.0° |
| C17 | N32 | C25 | H24 | 35.6° | 34.9° |
| N32 | C25 | C26 | C16 | 117.4° | 120.0° |
| N32 | C25 | C26 | H24 | 120.6° | 119.9° |
| N32 | C25 | C26 | C24 | 178.3° | 54.9° |
| N32 | C25 | C16 | H24 | 120.3° | 120.0° |
| N32 | C25 | C16 | N31 | 132.9° | 168.4° |
| N32 | C25 | C16 | O34 | 44.5° | 11.7° |
| N32 | C25 | C26 | H13 | 62.5° | 174.9° |
| C25 | C26 | C24 | H13 | 119.1° | 120.0° |
| C26 | C25 | C16 | H24 | 121.7° | 120.1° |
| C26 | C25 | C16 | N31 | 109.1° | 71.6° |
| C26 | C25 | C16 | O34 | 73.4° | 108.3° |
| C25 | C26 | C24 | H10 | 57.5° | 55.3° |
| C25 | C26 | C24 | H11 | 177.5° | 64.6° |
| C25 | C26 | C24 | H12 | 62.5° | 175.4° |
| C25 | C26 | C23 | H21 | 180.0° | 60.0° |
| C25 | C26 | C23 | H22 | 60.0° | 180.0° |
| C25 | C26 | C23 | H23 | 60.0° | 60.1° |
| C26 | C25 | N32 | H26 | 24.3° | 95.0° |
| C24 | C26 | C25 | C16 | 64.3° | 65.1° |
| C26 | C24 | H10 | H11 | 120.0° | 119.9° |
| C26 | C24 | H10 | H12 | 120.0° | 120.0° |
| C26 | C24 | H11 | H12 | 120.0° | 120.0° |
| C24 | C26 | C23 | H21 | 57.0° | 179.9° |
| C24 | C26 | C23 | H22 | 177.0° | 60.0° |
| C24 | C26 | C23 | H23 | 63.0° | 60.0° |
| C24 | C26 | C25 | H24 | 57.6° | 174.8° |
| C25 | C16 | N31 | O34 | 177.5° | 179.9° |
| C25 | C16 | N31 | C22 | 175.0° | 175.0° |
| C16 | C25 | C26 | H13 | 54.9° | 54.9° |
| C25 | C16 | N31 | H25 | 5.0° | 5.1° |
| C16 | C25 | N32 | H26 | 95.7° | 25.0° |
| CL40 | C14 | C4 | C5 | 179.9° | 180.0° |
| CL40 | C14 | C4 | C11 | 179.4° | 180.0° |
| CL40 | C14 | C5 | C13 | 179.3° | 180.0° |
| CL40 | C14 | C4 | H1 | 0.7° | 0.2° |
| CL40 | C14 | C5 | H2 | 0.7° | 0.2° |
| C16 | N31 | C22 | H25 | 180.0° | 180.0° |
| C16 | N31 | C22 | C21 | 151.5° | 155.0° |
| C16 | N31 | C22 | C20 | 83.8° | 85.1° |
| C16 | N31 | C22 | H9 | 33.9° | 34.9° |
| N31 | C16 | C25 | H24 | 12.7° | 48.4° |
| O34 | C16 | N31 | C22 | 7.5° | 4.9° |
| O34 | C16 | C25 | H24 | 164.8° | 131.7° |
| O34 | C16 | N31 | H25 | 172.5° | 175.0° |
| C14 | C4 | C11 | H1 | 180.0° | 179.8° |
| C4 | C14 | C5 | C13 | 0.7° | 0.0° |
| C14 | C4 | C11 | C21 | 179.7° | 179.7° |
| C14 | C4 | C11 | C3 | 0.2° | 0.2° |
| C4 | C14 | C5 | H2 | 179.4° | 179.8° |
| C5 | C14 | C4 | C11 | 0.6° | 0.0° |
| C14 | C5 | C13 | H2 | 180.0° | 179.8° |
| C14 | C5 | C13 | C3 | 0.0° | 0.2° |
| C14 | C5 | C13 | F36 | 179.6° | 179.7° |
| C5 | C14 | C4 | H1 | 179.4° | 179.8° |
| N31 | C22 | C21 | C11 | 61.5° | 58.7° |
| N31 | C22 | C21 | C20 | 122.5° | 119.9° |
| N31 | C22 | C21 | H9 | 118.5° | 120.2° |
| N31 | C22 | C20 | H9 | 118.5° | 120.1° |
| N31 | C22 | C21 | C18 | 172.7° | 178.7° |
| N31 | C22 | C20 | N30 | 172.9° | 174.6° |
| N31 | C22 | C20 | H6 | 52.9° | 54.8° |
| N31 | C22 | C20 | H7 | 67.0° | 65.5° |
| N31 | C22 | C21 | H8 | 55.5° | 61.3° |
| C4 | C11 | C21 | C3 | 179.5° | 180.0° |
| C4 | C11 | C21 | C22 | 133.2° | 119.9° |
| C4 | C11 | C21 | C18 | 100.9° | 120.0° |
| C4 | C11 | C3 | C13 | 0.9° | 0.4° |
| C4 | C11 | C21 | H8 | 16.5° | 0.1° |
| C4 | C11 | C3 | H16 | 179.1° | 180.0° |
| C5 | C13 | C3 | C11 | 0.8° | 0.4° |
| C5 | C13 | C3 | F36 | 179.6° | 179.9° |
| C5 | C13 | C3 | H16 | 179.2° | 180.0° |
| C11 | C21 | C22 | C18 | 125.8° | 120.0° |
| C11 | C21 | C22 | H8 | 117.0° | 120.0° |
| C11 | C21 | C22 | C20 | 176.1° | 178.6° |
| C11 | C21 | C18 | H8 | 117.7° | 119.9° |
| C21 | C11 | C3 | C13 | 179.7° | 179.6° |
| C11 | C21 | C18 | C19 | 174.5° | 178.6° |
| C21 | C11 | C4 | H1 | 0.4° | 0.0° |
| C11 | C21 | C22 | H9 | 57.0° | 61.5° |
| C21 | C11 | C3 | H16 | 0.3° | 0.1° |
| C11 | C21 | C18 | H17 | 54.3° | 61.5° |
| C11 | C21 | C18 | H18 | 65.2° | 58.7° |
| C3 | C11 | C21 | C22 | 47.3° | 60.0° |
| C3 | C11 | C21 | C18 | 78.6° | 60.1° |
| C11 | C3 | C13 | H16 | 180.0° | 179.6° |
| C11 | C3 | C13 | F36 | 179.7° | 179.5° |
| C3 | C11 | C4 | H1 | 179.8° | 180.0° |
| C3 | C11 | C21 | H8 | 164.0° | 180.0° |
| C21 | C22 | C20 | H9 | 118.9° | 119.9° |
| C22 | C21 | C18 | H8 | 117.2° | 120.1° |
| C21 | C22 | C20 | N30 | 50.3° | 54.6° |
| C22 | C21 | C18 | C19 | 49.4° | 61.4° |
| C21 | C22 | C20 | H6 | 69.7° | 65.2° |
| C21 | C22 | C20 | H7 | 170.3° | 174.5° |
| C22 | C21 | C18 | H17 | 70.9° | 58.5° |
| C22 | C21 | C18 | H18 | 169.7° | 178.7° |
| C21 | C22 | N31 | H25 | 28.5° | 25.0° |
| C20 | C22 | C21 | C18 | 50.2° | 61.4° |
| C22 | C20 | N30 | H6 | 120.0° | 119.8° |
| C22 | C20 | N30 | H7 | 120.0° | 119.9° |
| C22 | C20 | N30 | C19 | 54.1° | 53.6° |
| C22 | C20 | N30 | C15 | 125.5° | 126.4° |
| C22 | C20 | H6 | H7 | 120.0° | 120.3° |
| C20 | C22 | C21 | H8 | 66.9° | 58.6° |
| C20 | C22 | N31 | H25 | 96.2° | 94.8° |
| C21 | C18 | C19 | H17 | 120.3° | 119.9° |
| C21 | C18 | C19 | H18 | 120.3° | 120.0° |
| C21 | C18 | C19 | N30 | 50.3° | 54.7° |
| C18 | C21 | C22 | H9 | 68.8° | 58.5° |
| C21 | C18 | H17 | H18 | 119.2° | 120.1° |
| C21 | C18 | C19 | H19 | 170.6° | 174.4° |
| C21 | C18 | C19 | H20 | 70.1° | 65.4° |
| C3 | C13 | C5 | H2 | 180.0° | 180.0° |
| F36 | C13 | C5 | H2 | 0.4° | 0.0° |
| F36 | C13 | C3 | H16 | 0.3° | 0.1° |
| C20 | N30 | C19 | C18 | 55.3° | 53.7° |
| C20 | N30 | C19 | C15 | 179.6° | 180.0° |
| C20 | N30 | C15 | C10 | 4.6° | 3.8° |
| C20 | N30 | C15 | O33 | 176.1° | 176.1° |
| N30 | C20 | H6 | H7 | 120.0° | 120.3° |
| N30 | C20 | C22 | H9 | 68.6° | 65.3° |
| C20 | N30 | C19 | H19 | 175.7° | 173.4° |
| C20 | N30 | C19 | H20 | 65.0° | 66.3° |
| C1 | C6 | N29 | H3 | 180.0° | 179.8° |
| C6 | C1 | C2 | H14 | 180.0° | 179.9° |
| C1 | C6 | N29 | C12 | 1.1° | 0.0° |
| C6 | C1 | C2 | C9 | 0.4° | 0.1° |
| C6 | C1 | C2 | H15 | 179.6° | 180.0° |
| N29 | C6 | C1 | C2 | 0.3° | 0.1° |
| C6 | N29 | C12 | C9 | 1.3° | 0.0° |
| C6 | N29 | C12 | C10 | 178.8° | 180.0° |
| N29 | C6 | C1 | H14 | 179.7° | 180.0° |
| C1 | C2 | C9 | H15 | 180.0° | 179.9° |
| C1 | C2 | C9 | C12 | 0.2° | 0.0° |
| C1 | C2 | C9 | C7 | 178.9° | 179.9° |
| C2 | C1 | C6 | H3 | 179.7° | 179.7° |
| N29 | C12 | C9 | C2 | 0.6° | 0.0° |
| N29 | C12 | C9 | C10 | 180.0° | 180.0° |
| N29 | C12 | C9 | C7 | 179.8° | 180.0° |
| N29 | C12 | C10 | C15 | 1.9° | 0.1° |
| N29 | C12 | C10 | C8 | 179.6° | 180.0° |
| C12 | N29 | C6 | H3 | 178.9° | 179.7° |
| C18 | C19 | N30 | H19 | 120.3° | 119.7° |
| C18 | C19 | N30 | H20 | 120.3° | 119.9° |
| C18 | C19 | N30 | C15 | 124.3° | 126.3° |
| C19 | C18 | C21 | H8 | 67.8° | 58.7° |
| C19 | C18 | H17 | H18 | 119.2° | 120.1° |
| C18 | C19 | H19 | H20 | 119.0° | 120.3° |
| C2 | C9 | C12 | C7 | 179.2° | 180.0° |
| C2 | C9 | C12 | C10 | 179.4° | 180.0° |
| C2 | C9 | C7 | N28 | 179.9° | 179.9° |
| C2 | C9 | C7 | H4 | 0.1° | 0.0° |
| C9 | C2 | C1 | H14 | 179.6° | 180.0° |
| C19 | N30 | C15 | C10 | 175.0° | 176.2° |
| C19 | N30 | C15 | O33 | 4.3° | 3.9° |
| C19 | N30 | C20 | H6 | 65.9° | 66.2° |
| C19 | N30 | C20 | H7 | 174.1° | 173.5° |
| N30 | C19 | C18 | H17 | 70.0° | 65.2° |
| N30 | C19 | C18 | H18 | 170.5° | 174.6° |
| N30 | C19 | H19 | H20 | 119.0° | 120.5° |
| N30 | C15 | C10 | C12 | 74.7° | 128.2° |
| N30 | C15 | C10 | O33 | 179.3° | 179.9° |
| N30 | C15 | C10 | C8 | 107.5° | 51.8° |
| C15 | N30 | C20 | H6 | 114.5° | 113.8° |
| C15 | N30 | C20 | H7 | 5.5° | 6.5° |
| C15 | N30 | C19 | H19 | 3.9° | 6.6° |
| C15 | N30 | C19 | H20 | 115.4° | 113.7° |
| C9 | C12 | C10 | C15 | 178.1° | 179.9° |
| C9 | C12 | C10 | C8 | 0.3° | 0.0° |
| C12 | C9 | C7 | N28 | 0.8° | 0.0° |
| C12 | C9 | C7 | H4 | 179.2° | 180.0° |
| C12 | C9 | C2 | H15 | 179.8° | 179.9° |
| C10 | C12 | C9 | C7 | 0.2° | 0.0° |
| C12 | C10 | C15 | C8 | 177.8° | 180.0° |
| C12 | C10 | C15 | O33 | 105.9° | 51.9° |
| C12 | C10 | C8 | N28 | 0.5° | 0.1° |
| C12 | C10 | C8 | H5 | 179.5° | 179.9° |
| C9 | C7 | N28 | H4 | 180.0° | 180.0° |
| C9 | C7 | N28 | C8 | 0.7° | 0.1° |
| C7 | C9 | C2 | H15 | 1.1° | 0.0° |
| C15 | C10 | C8 | N28 | 178.3° | 180.0° |
| C15 | C10 | C8 | H5 | 1.7° | 0.1° |
| O33 | C15 | C10 | C8 | 71.8° | 128.1° |
| C10 | C8 | N28 | C7 | 0.1° | 0.2° |
| C10 | C8 | N28 | H5 | 180.0° | 179.9° |
| C7 | N28 | C8 | H5 | 179.9° | 180.0° |
| C8 | N28 | C7 | H4 | 179.3° | 179.9° |
| H3 | C6 | C1 | H14 | 0.3° | 0.2° |
| H6 | C20 | C22 | H9 | 171.4° | 174.9° |
| H7 | C20 | C22 | H9 | 51.5° | 54.6° |
| H8 | C21 | C22 | H9 | 174.0° | 178.5° |
| H8 | C21 | C18 | H17 | 171.9° | 178.6° |
| H8 | C21 | C18 | H18 | 52.5° | 61.3° |
| H9 | C22 | N31 | H25 | 146.1° | 145.1° |
| H10 | C24 | H11 | H12 | 120.0° | 120.0° |
| H10 | C24 | C26 | H13 | 61.7° | 64.6° |
| H11 | C24 | C26 | H13 | 58.3° | 175.4° |
| H12 | C24 | C26 | H13 | 178.3° | 55.4° |
| H13 | C26 | C23 | H21 | 61.3° | 59.9° |
| H13 | C26 | C23 | H22 | 58.7° | 60.0° |
| H13 | C26 | C23 | H23 | 178.7° | 180.0° |
| H13 | C26 | C25 | H24 | 176.9° | 65.2° |
| H14 | C1 | C2 | H15 | 0.4° | 0.1° |
| H17 | C18 | C19 | H19 | 50.4° | 54.5° |
| H17 | C18 | C19 | H20 | 169.7° | 174.7° |
| H18 | C18 | C19 | H19 | 69.1° | 65.6° |
| H18 | C18 | C19 | H20 | 50.2° | 54.6° |
| H21 | C23 | H22 | H23 | 120.0° | 120.0° |
| H24 | C25 | N32 | H26 | 144.4° | 145.1° |
