9LV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR33 | C25 | sing | 1.89Å | 1.89Å | |
| C27 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| O22 | C11 | doub | 1.21Å | 1.32Å | |
| C24 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C31 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | N2 | sing | 1.40Å | 1.40Å | |
| C11 | C21 | sing | 1.48Å | 1.49Å | |
| C11 | O28 | sing | 1.35Å | 1.21Å | |
| C21 | C23 | doub | 1.40Å | 1.41Å | Aromatic |
| C26 | C14 | sing | 1.51Å | 1.50Å | |
| C26 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.50Å | |
| C14 | N2 | sing | 1.47Å | 1.47Å | |
| N2 | C3 | sing | 1.34Å | 1.37Å | |
| C23 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.53Å | |
| C4 | C10 | sing | 1.53Å | 1.57Å | |
| C4 | C9 | sing | 1.53Å | 1.60Å | |
| C3 | O16 | doub | 1.21Å | 1.22Å | |
| C10 | C20 | sing | 1.53Å | 1.51Å | |
| C9 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | N8 | sing | 1.47Å | 1.47Å | |
| N8 | C19 | sing | 1.47Å | 1.47Å | |
| N8 | S1 | sing | 1.66Å | 1.63Å | |
| O13 | S1 | doub | 1.42Å | 1.43Å | |
| S1 | O12 | doub | 1.42Å | 1.43Å | |
| S1 | C7 | sing | 1.76Å | 1.78Å | |
| CL29 | C18 | sing | 1.74Å | 1.73Å | |
| C7 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C7 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.08Å | 1.08Å | |
| O28 | H8 | sing | 0.97Å | 0.95Å | |
| C23 | H9 | sing | 1.08Å | 1.08Å | |
| C32 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C30 | H17 | sing | 1.08Å | 1.08Å | |
| C35 | H18 | sing | 1.08Å | 1.08Å | |
| C36 | H19 | sing | 1.08Å | 1.08Å | |
| C34 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| C31 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR33 | C25 | C27 | 119.1° | 120.1° |
| BR33 | C25 | C17 | 118.7° | 120.1° |
| C25 | C27 | C15 | 119.4° | 120.4° |
| C27 | C25 | C17 | 122.2° | 119.8° |
| C25 | C27 | H21 | 120.3° | 119.8° |
| C27 | C15 | C6 | 118.9° | 120.1° |
| C27 | C15 | H3 | 120.5° | 120.0° |
| C15 | C27 | H21 | 120.3° | 119.8° |
| C25 | C17 | C5 | 118.4° | 119.9° |
| C25 | C17 | H4 | 120.8° | 120.0° |
| C15 | C6 | C5 | 120.9° | 119.0° |
| C15 | C6 | N2 | 129.6° | 130.8° |
| C6 | C15 | H3 | 120.6° | 119.9° |
| O22 | C11 | C21 | 114.7° | 120.0° |
| O22 | C11 | O28 | 123.5° | 120.0° |
| C31 | C24 | C21 | 120.6° | 119.8° |
| C24 | C31 | C26 | 121.6° | 120.2° |
| C31 | C24 | H7 | 119.7° | 120.1° |
| C24 | C31 | H22 | 119.2° | 119.9° |
| C24 | C21 | C11 | 119.3° | 120.1° |
| C24 | C21 | C23 | 118.5° | 119.7° |
| C21 | C24 | H7 | 119.7° | 120.1° |
| C31 | C26 | C14 | 117.1° | 119.9° |
| C31 | C26 | C32 | 118.7° | 120.3° |
| C26 | C31 | H22 | 119.2° | 119.9° |
| C17 | C5 | C6 | 120.2° | 120.7° |
| C17 | C5 | C4 | 130.6° | 133.1° |
| C5 | C17 | H4 | 120.8° | 120.0° |
| C5 | C6 | N2 | 109.5° | 110.2° |
| C6 | C5 | C4 | 109.2° | 106.2° |
| C6 | N2 | C14 | 125.1° | 123.9° |
| C6 | N2 | C3 | 110.9° | 112.2° |
| C21 | C11 | O28 | 121.8° | 120.0° |
| C11 | C21 | C23 | 122.2° | 120.1° |
| C11 | O28 | H8 | 109.5° | 117.0° |
| C21 | C23 | C32 | 120.3° | 119.8° |
| C21 | C23 | H9 | 119.8° | 120.1° |
| C14 | C26 | C32 | 124.3° | 119.8° |
| C26 | C14 | N2 | 122.9° | 109.4° |
| C26 | C14 | H11 | 106.0° | 109.5° |
| C26 | C14 | H12 | 106.0° | 109.4° |
| C26 | C32 | C23 | 120.3° | 120.2° |
| C26 | C32 | H10 | 119.8° | 119.9° |
| C5 | C4 | C3 | 102.2° | 104.5° |
| C5 | C4 | C10 | 107.3° | 110.5° |
| C5 | C4 | C9 | 114.2° | 110.5° |
| C14 | N2 | C3 | 123.8° | 123.9° |
| N2 | C14 | H11 | 106.0° | 109.5° |
| N2 | C14 | H12 | 106.0° | 109.5° |
| N2 | C3 | C4 | 108.1° | 106.9° |
| N2 | C3 | O16 | 125.8° | 126.6° |
| C32 | C23 | H9 | 119.8° | 120.1° |
| C23 | C32 | H10 | 119.9° | 119.9° |
| C3 | C4 | C10 | 107.0° | 110.3° |
| C3 | C4 | C9 | 111.5° | 110.3° |
| C4 | C3 | O16 | 126.0° | 126.5° |
| C10 | C4 | C9 | 113.9° | 110.7° |
| C4 | C10 | C20 | 114.8° | 109.3° |
| C4 | C10 | H1 | 108.1° | 109.5° |
| C4 | C10 | H2 | 108.1° | 109.5° |
| C4 | C9 | C19 | 115.2° | 109.4° |
| C4 | C9 | H15 | 108.0° | 109.5° |
| C4 | C9 | H16 | 108.0° | 109.5° |
| C10 | C20 | N8 | 108.4° | 108.8° |
| C20 | C10 | H1 | 108.1° | 109.5° |
| C20 | C10 | H2 | 108.1° | 109.5° |
| C10 | C20 | H5 | 109.7° | 109.6° |
| C10 | C20 | H6 | 109.8° | 109.6° |
| C9 | C19 | N8 | 108.9° | 108.8° |
| C9 | C19 | H13 | 109.6° | 109.6° |
| C9 | C19 | H14 | 109.6° | 109.7° |
| C19 | C9 | H15 | 108.0° | 109.4° |
| C19 | C9 | H16 | 108.0° | 109.5° |
| C20 | N8 | C19 | 112.3° | 118.8° |
| C20 | N8 | S1 | 119.7° | 120.6° |
| N8 | C20 | H5 | 109.8° | 109.6° |
| N8 | C20 | H6 | 109.7° | 109.6° |
| C19 | N8 | S1 | 120.6° | 120.6° |
| N8 | C19 | H13 | 109.6° | 109.6° |
| N8 | C19 | H14 | 109.6° | 109.6° |
| N8 | S1 | O13 | 106.8° | 106.4° |
| N8 | S1 | O12 | 106.9° | 106.4° |
| N8 | S1 | C7 | 106.6° | 107.2° |
| O13 | S1 | O12 | 119.5° | 123.2° |
| O13 | S1 | C7 | 108.7° | 106.4° |
| O12 | S1 | C7 | 107.6° | 106.4° |
| S1 | C7 | C18 | 124.1° | 120.0° |
| S1 | C7 | C30 | 116.7° | 120.0° |
| CL29 | C18 | C7 | 121.7° | 120.0° |
| CL29 | C18 | C34 | 117.9° | 120.0° |
| C18 | C7 | C30 | 119.2° | 120.0° |
| C7 | C18 | C34 | 120.4° | 120.0° |
| C7 | C30 | C35 | 120.0° | 120.0° |
| C7 | C30 | H17 | 120.0° | 120.0° |
| C18 | C34 | C36 | 119.6° | 120.0° |
| C18 | C34 | H20 | 120.2° | 120.0° |
| C30 | C35 | C36 | 120.4° | 120.1° |
| C35 | C30 | H17 | 120.0° | 120.0° |
| C30 | C35 | H18 | 119.8° | 120.0° |
| C34 | C36 | C35 | 120.4° | 120.0° |
| C34 | C36 | H19 | 119.8° | 120.0° |
| C36 | C34 | H20 | 120.2° | 120.0° |
| C36 | C35 | H18 | 119.8° | 119.9° |
| C35 | C36 | H19 | 119.8° | 120.0° |
| H1 | C10 | H2 | 109.4° | 109.5° |
| H5 | C20 | H6 | 109.5° | 109.7° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H13 | C19 | H14 | 109.4° | 109.6° |
| H15 | C9 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR33 | C25 | C27 | C17 | 179.7° | 180.0° |
| BR33 | C25 | C27 | C15 | 180.0° | 180.0° |
| BR33 | C25 | C17 | C5 | 180.0° | 180.0° |
| BR33 | C25 | C17 | H4 | 0.0° | 0.1° |
| BR33 | C25 | C27 | H21 | 0.1° | 0.1° |
| C25 | C27 | C15 | H21 | 180.0° | 180.0° |
| C25 | C27 | C15 | C6 | 0.4° | 0.0° |
| C27 | C25 | C17 | C5 | 0.3° | 0.0° |
| C25 | C27 | C15 | H3 | 179.6° | 180.0° |
| C27 | C25 | C17 | H4 | 179.7° | 179.9° |
| C15 | C27 | C25 | C17 | 0.3° | 0.0° |
| C27 | C15 | C6 | H3 | 180.0° | 180.0° |
| C27 | C15 | C6 | C5 | 0.5° | 0.0° |
| C27 | C15 | C6 | N2 | 179.2° | 180.0° |
| C25 | C17 | C5 | H4 | 180.0° | 179.9° |
| C25 | C17 | C5 | C6 | 0.5° | 0.0° |
| C25 | C17 | C5 | C4 | 178.7° | 179.9° |
| C17 | C25 | C27 | H21 | 179.8° | 180.0° |
| C15 | C6 | C5 | C17 | 0.6° | 0.0° |
| C15 | C6 | C5 | N2 | 178.9° | 180.0° |
| C15 | C6 | C5 | C4 | 179.2° | 179.9° |
| C15 | C6 | N2 | C14 | 4.6° | 0.0° |
| C15 | C6 | N2 | C3 | 179.5° | 179.9° |
| C6 | C15 | C27 | H21 | 179.7° | 180.0° |
| O22 | C11 | C21 | C24 | 24.9° | 179.8° |
| O22 | C11 | C21 | O28 | 179.7° | 179.9° |
| O22 | C11 | C21 | C23 | 155.3° | 0.1° |
| O22 | C11 | O28 | H8 | 0.0° | 0.1° |
| C31 | C24 | C21 | H7 | 180.0° | 180.0° |
| C24 | C31 | C26 | H22 | 180.0° | 180.0° |
| C31 | C24 | C21 | C11 | 179.9° | 179.7° |
| C31 | C24 | C21 | C23 | 0.2° | 0.0° |
| C24 | C31 | C26 | C14 | 179.4° | 180.0° |
| C24 | C31 | C26 | C32 | 0.6° | 0.0° |
| C21 | C24 | C31 | C26 | 0.2° | 0.0° |
| C24 | C21 | C11 | C23 | 179.7° | 179.7° |
| C24 | C21 | C11 | O28 | 154.8° | 0.3° |
| C24 | C21 | C23 | C32 | 0.2° | 0.0° |
| C24 | C21 | C23 | H9 | 179.9° | 180.0° |
| C21 | C24 | C31 | H22 | 179.7° | 180.0° |
| C31 | C26 | C14 | C32 | 178.7° | 179.9° |
| C31 | C26 | C14 | N2 | 158.0° | 90.0° |
| C31 | C26 | C32 | C23 | 0.6° | 0.0° |
| C26 | C31 | C24 | H7 | 179.8° | 180.0° |
| C31 | C26 | C32 | H10 | 179.3° | 180.0° |
| C31 | C26 | C14 | H11 | 80.1° | 30.0° |
| C31 | C26 | C14 | H12 | 36.2° | 150.0° |
| C17 | C5 | C6 | C4 | 178.6° | 180.0° |
| C17 | C5 | C6 | N2 | 179.5° | 180.0° |
| C17 | C5 | C4 | C3 | 179.7° | 180.0° |
| C17 | C5 | C4 | C10 | 67.4° | 61.4° |
| C17 | C5 | C4 | C9 | 59.7° | 61.4° |
| C5 | C6 | N2 | C14 | 176.7° | 180.0° |
| C5 | C6 | N2 | C3 | 1.8° | 0.0° |
| C6 | C5 | C4 | C3 | 1.3° | 0.0° |
| C6 | C5 | C4 | C10 | 111.0° | 118.5° |
| C6 | C5 | C4 | C9 | 121.9° | 118.6° |
| C5 | C6 | C15 | H3 | 179.5° | 180.0° |
| C6 | C5 | C17 | H4 | 179.5° | 179.9° |
| C6 | N2 | C14 | C26 | 93.1° | 90.0° |
| N2 | C6 | C5 | C4 | 1.9° | 0.0° |
| C6 | N2 | C14 | C3 | 174.3° | 179.9° |
| C6 | N2 | C3 | C4 | 0.9° | 0.0° |
| C6 | N2 | C3 | O16 | 179.0° | 179.9° |
| N2 | C6 | C15 | H3 | 0.8° | 0.0° |
| C6 | N2 | C14 | H11 | 145.1° | 30.0° |
| C6 | N2 | C14 | H12 | 28.7° | 150.1° |
| C11 | C21 | C23 | C32 | 179.9° | 179.7° |
| C11 | C21 | C24 | H7 | 0.1° | 0.3° |
| C21 | C11 | O28 | H8 | 179.7° | 180.0° |
| C11 | C21 | C23 | H9 | 0.1° | 0.3° |
| O28 | C11 | C21 | C23 | 24.9° | 180.0° |
| C21 | C23 | C32 | C26 | 0.2° | 0.0° |
| C21 | C23 | C32 | H9 | 180.0° | 180.0° |
| C23 | C21 | C24 | H7 | 179.9° | 180.0° |
| C21 | C23 | C32 | H10 | 179.7° | 180.0° |
| C26 | C14 | N2 | H11 | 121.8° | 120.0° |
| C26 | C14 | N2 | H12 | 121.8° | 119.9° |
| C26 | C14 | N2 | C3 | 92.6° | 89.9° |
| C14 | C26 | C32 | C23 | 179.3° | 180.0° |
| C14 | C26 | C32 | H10 | 0.6° | 0.1° |
| C26 | C14 | H11 | H12 | 114.0° | 120.0° |
| C14 | C26 | C31 | H22 | 0.6° | 0.0° |
| C32 | C26 | C14 | N2 | 23.2° | 90.0° |
| C26 | C32 | C23 | H10 | 180.0° | 180.0° |
| C26 | C32 | C23 | H9 | 179.7° | 180.0° |
| C32 | C26 | C14 | H11 | 98.6° | 150.0° |
| C32 | C26 | C14 | H12 | 145.1° | 29.9° |
| C32 | C26 | C31 | H22 | 179.4° | 180.0° |
| C5 | C4 | C3 | N2 | 0.3° | 0.0° |
| C5 | C4 | C3 | C10 | 112.6° | 118.7° |
| C5 | C4 | C3 | C9 | 122.4° | 118.8° |
| C5 | C4 | C10 | C9 | 127.3° | 122.7° |
| C5 | C4 | C3 | O16 | 179.8° | 179.9° |
| C5 | C4 | C10 | C20 | 159.5° | 177.0° |
| C5 | C4 | C9 | C19 | 152.8° | 177.1° |
| C5 | C4 | C10 | H1 | 79.6° | 57.1° |
| C5 | C4 | C10 | H2 | 38.8° | 63.0° |
| C4 | C5 | C17 | H4 | 1.3° | 0.1° |
| C5 | C4 | C9 | H15 | 32.0° | 63.0° |
| C5 | C4 | C9 | H16 | 86.4° | 57.1° |
| C14 | N2 | C3 | C4 | 175.8° | 179.9° |
| C14 | N2 | C3 | O16 | 4.1° | 0.2° |
| N2 | C14 | H11 | H12 | 114.0° | 120.0° |
| N2 | C3 | C4 | O16 | 179.9° | 179.9° |
| N2 | C3 | C4 | C10 | 112.3° | 118.7° |
| N2 | C3 | C4 | C9 | 122.7° | 118.8° |
| C3 | N2 | C14 | H11 | 29.2° | 150.1° |
| C3 | N2 | C14 | H12 | 145.5° | 30.0° |
| C3 | C4 | C10 | C9 | 123.6° | 122.3° |
| C3 | C4 | C10 | C20 | 91.4° | 62.1° |
| C3 | C4 | C9 | C19 | 92.0° | 62.1° |
| C3 | C4 | C10 | H1 | 29.4° | 57.9° |
| C3 | C4 | C10 | H2 | 147.8° | 178.0° |
| C3 | C4 | C9 | H15 | 147.2° | 178.0° |
| C3 | C4 | C9 | H16 | 28.8° | 57.9° |
| C10 | C4 | C3 | O16 | 67.6° | 61.4° |
| C4 | C10 | C20 | H1 | 120.8° | 120.0° |
| C4 | C10 | C20 | H2 | 120.8° | 119.9° |
| C10 | C4 | C9 | C19 | 29.2° | 60.2° |
| C4 | C10 | C20 | N8 | 50.6° | 53.9° |
| C4 | C10 | H1 | H2 | 117.6° | 120.1° |
| C4 | C10 | C20 | H5 | 69.2° | 65.8° |
| C4 | C10 | C20 | H6 | 170.5° | 173.7° |
| C10 | C4 | C9 | H15 | 91.7° | 59.7° |
| C10 | C4 | C9 | H16 | 150.0° | 179.8° |
| C9 | C4 | C3 | O16 | 57.4° | 61.1° |
| C9 | C4 | C10 | C20 | 32.2° | 60.3° |
| C4 | C9 | C19 | H15 | 120.8° | 119.9° |
| C4 | C9 | C19 | H16 | 120.8° | 120.0° |
| C4 | C9 | C19 | N8 | 44.4° | 53.9° |
| C9 | C4 | C10 | H1 | 153.0° | 179.8° |
| C9 | C4 | C10 | H2 | 88.5° | 59.7° |
| C4 | C9 | C19 | H13 | 164.3° | 65.9° |
| C4 | C9 | C19 | H14 | 75.5° | 173.8° |
| C4 | C9 | H15 | H16 | 117.4° | 120.1° |
| C10 | C20 | N8 | H5 | 119.8° | 119.8° |
| C10 | C20 | N8 | H6 | 119.9° | 119.8° |
| C10 | C20 | N8 | C19 | 70.0° | 54.0° |
| C10 | C20 | N8 | S1 | 139.9° | 125.9° |
| C20 | C10 | H1 | H2 | 117.5° | 120.1° |
| C10 | C20 | H5 | H6 | 120.5° | 120.4° |
| C9 | C19 | N8 | C20 | 66.6° | 54.0° |
| C9 | C19 | N8 | H13 | 119.9° | 119.7° |
| C9 | C19 | N8 | H14 | 119.9° | 120.0° |
| C9 | C19 | N8 | S1 | 143.6° | 126.0° |
| C9 | C19 | H13 | H14 | 120.3° | 120.4° |
| C19 | C9 | H15 | H16 | 117.4° | 120.0° |
| C20 | N8 | C19 | S1 | 149.8° | 179.9° |
| C20 | N8 | S1 | O13 | 51.5° | 149.3° |
| C20 | N8 | S1 | O12 | 179.4° | 16.3° |
| C20 | N8 | S1 | C7 | 64.6° | 97.2° |
| N8 | C20 | C10 | H1 | 171.5° | 173.9° |
| N8 | C20 | C10 | H2 | 70.1° | 66.0° |
| N8 | C20 | H5 | H6 | 120.5° | 120.4° |
| C20 | N8 | C19 | H13 | 173.5° | 65.8° |
| C20 | N8 | C19 | H14 | 53.3° | 173.9° |
| C19 | N8 | S1 | O13 | 160.9° | 30.8° |
| C19 | N8 | S1 | O12 | 31.9° | 163.8° |
| C19 | N8 | S1 | C7 | 83.0° | 82.7° |
| C19 | N8 | C20 | H5 | 49.8° | 65.8° |
| C19 | N8 | C20 | H6 | 170.1° | 173.8° |
| N8 | C19 | H13 | H14 | 120.2° | 120.3° |
| N8 | C19 | C9 | H15 | 76.5° | 66.1° |
| N8 | C19 | C9 | H16 | 165.2° | 173.9° |
| N8 | S1 | O13 | O12 | 121.4° | 123.0° |
| N8 | S1 | O13 | C7 | 114.7° | 114.1° |
| N8 | S1 | O12 | C7 | 114.2° | 114.1° |
| N8 | S1 | C7 | C18 | 93.2° | 67.7° |
| N8 | S1 | C7 | C30 | 86.8° | 112.6° |
| S1 | N8 | C20 | H5 | 100.3° | 114.3° |
| S1 | N8 | C20 | H6 | 20.1° | 6.1° |
| S1 | N8 | C19 | H13 | 23.7° | 114.3° |
| S1 | N8 | C19 | H14 | 96.4° | 6.0° |
| O13 | S1 | O12 | C7 | 124.5° | 122.9° |
| O13 | S1 | C7 | C18 | 21.6° | 178.8° |
| O13 | S1 | C7 | C30 | 158.4° | 1.0° |
| O12 | S1 | C7 | C18 | 152.4° | 45.8° |
| O12 | S1 | C7 | C30 | 27.6° | 133.9° |
| S1 | C7 | C18 | CL29 | 0.0° | 0.3° |
| S1 | C7 | C18 | C30 | 180.0° | 179.7° |
| S1 | C7 | C18 | C34 | 179.9° | 179.8° |
| S1 | C7 | C30 | C35 | 180.0° | 179.7° |
| S1 | C7 | C30 | H17 | 0.0° | 0.3° |
| CL29 | C18 | C7 | C34 | 179.9° | 179.9° |
| CL29 | C18 | C7 | C30 | 180.0° | 180.0° |
| CL29 | C18 | C34 | C36 | 180.0° | 180.0° |
| CL29 | C18 | C34 | H20 | 0.0° | 0.1° |
| C18 | C7 | C30 | C35 | 0.0° | 0.0° |
| C7 | C18 | C34 | C36 | 0.1° | 0.1° |
| C18 | C7 | C30 | H17 | 180.0° | 180.0° |
| C7 | C18 | C34 | H20 | 179.9° | 180.0° |
| C30 | C7 | C18 | C34 | 0.1° | 0.1° |
| C7 | C30 | C35 | H17 | 180.0° | 180.0° |
| C7 | C30 | C35 | C36 | 0.0° | 0.0° |
| C7 | C30 | C35 | H18 | 180.0° | 179.9° |
| C18 | C34 | C36 | H20 | 180.0° | 179.9° |
| C18 | C34 | C36 | C35 | 0.0° | 0.0° |
| C18 | C34 | C36 | H19 | 179.9° | 180.0° |
| C30 | C35 | C36 | C34 | 0.0° | 0.0° |
| C30 | C35 | C36 | H18 | 180.0° | 179.9° |
| C30 | C35 | C36 | H19 | 180.0° | 180.0° |
| C34 | C36 | C35 | H19 | 180.0° | 180.0° |
| C34 | C36 | C35 | H18 | 180.0° | 179.9° |
| C36 | C35 | C30 | H17 | 179.9° | 180.0° |
| C35 | C36 | C34 | H20 | 180.0° | 180.0° |
| H1 | C10 | C20 | H5 | 51.6° | 54.1° |
| H1 | C10 | C20 | H6 | 68.7° | 66.3° |
| H2 | C10 | C20 | H5 | 170.0° | 174.2° |
| H2 | C10 | C20 | H6 | 49.7° | 53.8° |
| H3 | C15 | C27 | H21 | 0.3° | 0.0° |
| H7 | C24 | C31 | H22 | 0.3° | 0.0° |
| H9 | C23 | C32 | H10 | 0.3° | 0.0° |
| H13 | C19 | C9 | H15 | 43.5° | 174.2° |
| H13 | C19 | C9 | H16 | 74.9° | 54.1° |
| H14 | C19 | C9 | H15 | 163.6° | 53.8° |
| H14 | C19 | C9 | H16 | 45.3° | 66.2° |
| H17 | C30 | C35 | H18 | 0.1° | 0.0° |
| H18 | C35 | C36 | H19 | 0.0° | 0.1° |
| H19 | C36 | C34 | H20 | 0.0° | 0.0° |
