82H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | C13 | sing | 1.40Å | 1.38Å | Aromatic |
| C5 | C16 | doub | 1.39Å | 1.37Å | Aromatic |
| C26 | C27 | sing | 1.55Å | 1.50Å | |
| C26 | O41 | sing | 1.44Å | 1.43Å | |
| N35 | C27 | sing | 1.46Å | 1.46Å | |
| N35 | C20 | sing | 1.35Å | 1.39Å | |
| C27 | C22 | sing | 1.55Å | 1.51Å | |
| C13 | C20 | sing | 1.48Å | 1.48Å | |
| C13 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | O37 | doub | 1.22Å | 1.22Å | |
| C16 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | N34 | sing | 1.40Å | 1.39Å | |
| O41 | C23 | sing | 1.44Å | 1.43Å | |
| C22 | C23 | sing | 1.54Å | 1.52Å | |
| N34 | N33 | sing | 1.40Å | 1.35Å | Aromatic |
| N34 | C15 | sing | 1.37Å | 1.37Å | Aromatic |
| C25 | O40 | sing | 1.43Å | 1.44Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| N33 | C11 | doub | 1.30Å | 1.34Å | Aromatic |
| C4 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | C7 | doub | 1.37Å | 1.37Å | Aromatic |
| C15 | C12 | doub | 1.41Å | 1.38Å | Aromatic |
| O40 | C18 | sing | 1.36Å | 1.39Å | |
| C24 | O39 | sing | 1.43Å | 1.43Å | |
| C7 | C19 | sing | 1.39Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.46Å | 1.42Å | Aromatic |
| O39 | C17 | sing | 1.36Å | 1.40Å | |
| C12 | C8 | sing | 1.40Å | 1.38Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C10 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | O42 | sing | 1.36Å | 1.39Å | |
| C6 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| O42 | C30 | sing | 1.43Å | 1.43Å | |
| C14 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C30 | sing | 1.51Å | 1.51Å | |
| C30 | C31 | sing | 1.53Å | 1.50Å | |
| C31 | N36 | sing | 1.47Å | 1.43Å | |
| C31 | C28 | sing | 1.53Å | 1.49Å | |
| O38 | C21 | doub | 1.21Å | 1.22Å | |
| C29 | C32 | sing | 1.53Å | 1.50Å | |
| C21 | N36 | sing | 1.35Å | 1.38Å | |
| C21 | C32 | sing | 1.51Å | 1.50Å | |
| C32 | F44 | sing | 1.40Å | 1.36Å | |
| C32 | F43 | sing | 1.40Å | 1.36Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.08Å | 1.08Å | |
| C5 | H17 | sing | 1.08Å | 1.08Å | |
| C6 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| N35 | H31 | sing | 0.97Å | 1.00Å | |
| N36 | H32 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C5 | 119.4° | 120.2° |
| C1 | C2 | C13 | 120.5° | 120.0° |
| C2 | C1 | H1 | 120.3° | 119.9° |
| C1 | C2 | H2 | 119.7° | 120.0° |
| C1 | C5 | C16 | 119.5° | 120.2° |
| C5 | C1 | H1 | 120.3° | 119.9° |
| C1 | C5 | H17 | 120.2° | 119.8° |
| C2 | C13 | C20 | 120.1° | 120.1° |
| C2 | C13 | C9 | 120.7° | 119.8° |
| C13 | C2 | H2 | 119.8° | 120.0° |
| C5 | C16 | C9 | 122.1° | 120.0° |
| C5 | C16 | N34 | 116.8° | 120.0° |
| C16 | C5 | H17 | 120.2° | 120.0° |
| C27 | C26 | O41 | 109.2° | 103.5° |
| C26 | C27 | N35 | 112.2° | 110.9° |
| C26 | C27 | C22 | 105.2° | 102.1° |
| C26 | C27 | H13 | 107.1° | 110.9° |
| C27 | C26 | H23 | 109.6° | 110.7° |
| C27 | C26 | H24 | 109.5° | 110.6° |
| C26 | O41 | C23 | 109.0° | 106.9° |
| O41 | C26 | H23 | 109.5° | 110.6° |
| O41 | C26 | H24 | 109.6° | 110.6° |
| C27 | N35 | C20 | 128.9° | 120.1° |
| N35 | C27 | C22 | 117.2° | 110.9° |
| N35 | C27 | H13 | 107.6° | 110.8° |
| C27 | N35 | H31 | 115.5° | 120.0° |
| N35 | C20 | C13 | 114.8° | 120.0° |
| N35 | C20 | O37 | 127.1° | 119.9° |
| C20 | N35 | H31 | 115.6° | 120.0° |
| C27 | C22 | C23 | 105.3° | 104.2° |
| C27 | C22 | H9 | 110.5° | 110.5° |
| C27 | C22 | H10 | 110.5° | 110.6° |
| C22 | C27 | H13 | 107.0° | 110.9° |
| C20 | C13 | C9 | 119.0° | 120.1° |
| C13 | C20 | O37 | 117.7° | 120.0° |
| C13 | C9 | C16 | 117.7° | 119.8° |
| C13 | C9 | H6 | 121.1° | 120.1° |
| C9 | C16 | N34 | 120.8° | 120.0° |
| C16 | C9 | H6 | 121.2° | 120.1° |
| C16 | N34 | N33 | 116.2° | 125.5° |
| C16 | N34 | C15 | 126.4° | 125.5° |
| O41 | C23 | C22 | 108.8° | 107.3° |
| O41 | C23 | H19 | 109.6° | 109.9° |
| O41 | C23 | H20 | 109.6° | 110.0° |
| C23 | C22 | H9 | 110.5° | 110.4° |
| C23 | C22 | H10 | 110.5° | 110.5° |
| C22 | C23 | H19 | 109.6° | 109.9° |
| C22 | C23 | H20 | 109.6° | 109.8° |
| N33 | N34 | C15 | 113.2° | 109.0° |
| N34 | N33 | C11 | 104.6° | 110.1° |
| N34 | C15 | C4 | 130.1° | 133.7° |
| N34 | C15 | C12 | 105.7° | 106.6° |
| O40 | C25 | C24 | 109.3° | 108.2° |
| C25 | O40 | C18 | 110.8° | 116.7° |
| O40 | C25 | H21 | 109.5° | 109.7° |
| O40 | C25 | H22 | 109.5° | 109.7° |
| C25 | C24 | O39 | 108.9° | 108.3° |
| C25 | C24 | H11 | 109.6° | 109.7° |
| C25 | C24 | H12 | 109.6° | 109.8° |
| C24 | C25 | H21 | 109.5° | 109.7° |
| C24 | C25 | H22 | 109.5° | 109.7° |
| N33 | C11 | C12 | 111.1° | 107.8° |
| N33 | C11 | H8 | 124.5° | 126.1° |
| C15 | C4 | C7 | 114.0° | 120.1° |
| C4 | C15 | C12 | 124.2° | 119.6° |
| C15 | C4 | H16 | 123.0° | 120.0° |
| C4 | C7 | C19 | 123.1° | 120.8° |
| C4 | C7 | H4 | 118.5° | 119.6° |
| C7 | C4 | H16 | 123.0° | 120.0° |
| C15 | C12 | C11 | 105.4° | 106.4° |
| C15 | C12 | C8 | 120.5° | 119.7° |
| O40 | C18 | C17 | 121.6° | 120.8° |
| O40 | C18 | C10 | 117.4° | 119.4° |
| C24 | O39 | C17 | 112.1° | 116.7° |
| O39 | C24 | H11 | 109.6° | 109.7° |
| O39 | C24 | H12 | 109.6° | 109.7° |
| C7 | C19 | C8 | 122.1° | 120.4° |
| C7 | C19 | O42 | 114.1° | 119.8° |
| C19 | C7 | H4 | 118.5° | 119.6° |
| C11 | C12 | C8 | 134.1° | 133.9° |
| C12 | C11 | H8 | 124.4° | 126.1° |
| O39 | C17 | C18 | 123.0° | 120.7° |
| O39 | C17 | C6 | 117.4° | 119.4° |
| C12 | C8 | C19 | 116.1° | 119.5° |
| C12 | C8 | H5 | 122.0° | 120.3° |
| C17 | C18 | C10 | 120.9° | 119.8° |
| C18 | C17 | C6 | 119.6° | 119.8° |
| C18 | C10 | C14 | 119.8° | 120.1° |
| C18 | C10 | H7 | 120.1° | 120.0° |
| C17 | C6 | C3 | 119.2° | 120.0° |
| C17 | C6 | H18 | 120.4° | 119.9° |
| C10 | C14 | C3 | 118.5° | 120.1° |
| C10 | C14 | C30 | 122.2° | 119.9° |
| C14 | C10 | H7 | 120.1° | 119.9° |
| C8 | C19 | O42 | 123.7° | 119.8° |
| C19 | C8 | H5 | 122.0° | 120.3° |
| C19 | O42 | C30 | 114.3° | 117.0° |
| C6 | C3 | C14 | 121.9° | 120.2° |
| C6 | C3 | H3 | 119.0° | 119.9° |
| C3 | C6 | H18 | 120.4° | 120.0° |
| O42 | C30 | C14 | 112.5° | 109.5° |
| O42 | C30 | C31 | 104.1° | 109.5° |
| O42 | C30 | H14 | 109.8° | 109.5° |
| C3 | C14 | C30 | 119.2° | 120.0° |
| C14 | C3 | H3 | 119.0° | 119.9° |
| C14 | C30 | C31 | 112.7° | 109.5° |
| C14 | C30 | H14 | 108.8° | 109.5° |
| C30 | C31 | N36 | 113.7° | 109.5° |
| C30 | C31 | C28 | 110.1° | 109.5° |
| C31 | C30 | H14 | 108.8° | 109.5° |
| C30 | C31 | H15 | 107.1° | 109.5° |
| N36 | C31 | C28 | 110.5° | 109.5° |
| C31 | N36 | C21 | 118.4° | 120.0° |
| N36 | C31 | H15 | 108.0° | 109.5° |
| C31 | N36 | H32 | 120.8° | 120.0° |
| C28 | C31 | H15 | 107.2° | 109.5° |
| C31 | C28 | H25 | 109.5° | 109.5° |
| C31 | C28 | H26 | 109.5° | 109.5° |
| C31 | C28 | H27 | 109.5° | 109.5° |
| O38 | C21 | N36 | 124.5° | 120.0° |
| O38 | C21 | C32 | 120.1° | 120.0° |
| C29 | C32 | C21 | 105.2° | 109.5° |
| C29 | C32 | F44 | 107.9° | 109.5° |
| C29 | C32 | F43 | 112.0° | 109.5° |
| C32 | C29 | H28 | 109.5° | 109.4° |
| C32 | C29 | H29 | 109.4° | 109.5° |
| C32 | C29 | H30 | 109.5° | 109.5° |
| N36 | C21 | C32 | 115.4° | 120.0° |
| C21 | N36 | H32 | 120.8° | 120.0° |
| C21 | C32 | F44 | 112.4° | 109.5° |
| C21 | C32 | F43 | 114.6° | 109.5° |
| F44 | C32 | F43 | 104.6° | 109.4° |
| H9 | C22 | H10 | 109.4° | 110.5° |
| H11 | C24 | H12 | 109.5° | 109.7° |
| H19 | C23 | H20 | 109.5° | 109.9° |
| H21 | C25 | H22 | 109.5° | 109.7° |
| H23 | C26 | H24 | 109.5° | 110.6° |
| H25 | C28 | H26 | 109.5° | 109.4° |
| H25 | C28 | H27 | 109.4° | 109.5° |
| H26 | C28 | H27 | 109.5° | 109.4° |
| H28 | C29 | H29 | 109.5° | 109.5° |
| H28 | C29 | H30 | 109.4° | 109.5° |
| H29 | C29 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C5 | H1 | 180.0° | 179.8° |
| C1 | C2 | C13 | H2 | 180.0° | 180.0° |
| C2 | C1 | C5 | C16 | 0.6° | 0.0° |
| C1 | C2 | C13 | C20 | 177.2° | 180.0° |
| C1 | C2 | C13 | C9 | 1.9° | 0.0° |
| C2 | C1 | C5 | H17 | 179.4° | 180.0° |
| C5 | C1 | C2 | C13 | 1.6° | 0.0° |
| C1 | C5 | C16 | H17 | 180.0° | 180.0° |
| C1 | C5 | C16 | C9 | 0.1° | 0.0° |
| C1 | C5 | C16 | N34 | 174.9° | 180.0° |
| C5 | C1 | C2 | H2 | 178.4° | 180.0° |
| C2 | C13 | C20 | N35 | 17.8° | 0.0° |
| C2 | C13 | C20 | C9 | 175.3° | 180.0° |
| C2 | C13 | C20 | O37 | 168.5° | 180.0° |
| C2 | C13 | C9 | C16 | 1.2° | 0.0° |
| C13 | C2 | C1 | H1 | 178.4° | 179.7° |
| C2 | C13 | C9 | H6 | 178.8° | 180.0° |
| C5 | C16 | C9 | C13 | 0.2° | 0.0° |
| C5 | C16 | C9 | N34 | 174.9° | 180.0° |
| C5 | C16 | N34 | N33 | 82.1° | 145.0° |
| C5 | C16 | N34 | C15 | 122.8° | 35.0° |
| C16 | C5 | C1 | H1 | 179.4° | 179.7° |
| C5 | C16 | C9 | H6 | 179.8° | 180.0° |
| C27 | C26 | O41 | H23 | 120.0° | 118.6° |
| C27 | C26 | O41 | H24 | 119.9° | 118.5° |
| C26 | C27 | N35 | C22 | 121.9° | 112.8° |
| C26 | C27 | N35 | H13 | 117.6° | 123.6° |
| C26 | C27 | N35 | C20 | 89.2° | 92.3° |
| C26 | C27 | C22 | H13 | 113.7° | 118.2° |
| C27 | C26 | O41 | C23 | 13.5° | 40.1° |
| C26 | C27 | C22 | C23 | 12.8° | 20.8° |
| C26 | C27 | C22 | H9 | 132.2° | 97.8° |
| C26 | C27 | C22 | H10 | 106.6° | 139.6° |
| C27 | C26 | H23 | H24 | 120.1° | 123.0° |
| C26 | C27 | N35 | H31 | 90.8° | 87.8° |
| O41 | C26 | C27 | N35 | 112.1° | 155.3° |
| O41 | C26 | C27 | C22 | 16.4° | 37.0° |
| C26 | O41 | C23 | C22 | 5.0° | 26.5° |
| O41 | C26 | C27 | H13 | 130.1° | 81.2° |
| C26 | O41 | C23 | H19 | 114.9° | 92.9° |
| C26 | O41 | C23 | H20 | 124.9° | 146.0° |
| O41 | C26 | H23 | H24 | 120.1° | 122.9° |
| C27 | N35 | C20 | H31 | 180.0° | 180.0° |
| N35 | C27 | C22 | H13 | 120.8° | 123.6° |
| C27 | N35 | C20 | C13 | 159.2° | 180.0° |
| C27 | N35 | C20 | O37 | 13.8° | 0.1° |
| N35 | C27 | C22 | C23 | 112.7° | 139.1° |
| N35 | C27 | C22 | H9 | 6.7° | 20.5° |
| N35 | C27 | C22 | H10 | 128.0° | 102.2° |
| N35 | C27 | C26 | H23 | 128.0° | 86.2° |
| N35 | C27 | C26 | H24 | 7.9° | 36.8° |
| C20 | N35 | C27 | C22 | 32.8° | 155.0° |
| N35 | C20 | C13 | O37 | 173.7° | 179.9° |
| N35 | C20 | C13 | C9 | 157.5° | 180.0° |
| C20 | N35 | C27 | H13 | 153.3° | 31.3° |
| C27 | C22 | C23 | O41 | 5.2° | 2.1° |
| C27 | C22 | C23 | H9 | 119.4° | 118.6° |
| C27 | C22 | C23 | H10 | 119.4° | 118.8° |
| C27 | C22 | H9 | H10 | 121.9° | 122.8° |
| C27 | C22 | C23 | H19 | 125.1° | 117.4° |
| C27 | C22 | C23 | H20 | 114.7° | 121.6° |
| C22 | C27 | C26 | H23 | 103.5° | 155.5° |
| C22 | C27 | C26 | H24 | 136.4° | 81.5° |
| C22 | C27 | N35 | H31 | 147.2° | 25.0° |
| C20 | C13 | C9 | C16 | 176.5° | 180.0° |
| C20 | C13 | C2 | H2 | 2.8° | 0.0° |
| C20 | C13 | C9 | H6 | 3.5° | 0.0° |
| C13 | C20 | N35 | H31 | 20.8° | 0.0° |
| C9 | C13 | C20 | O37 | 16.2° | 0.0° |
| C13 | C9 | C16 | H6 | 180.0° | 180.0° |
| C13 | C9 | C16 | N34 | 175.1° | 180.0° |
| C9 | C13 | C2 | H2 | 178.1° | 180.0° |
| O37 | C20 | N35 | H31 | 166.2° | 180.0° |
| C9 | C16 | N34 | N33 | 93.0° | 35.0° |
| C9 | C16 | N34 | C15 | 62.1° | 145.0° |
| C9 | C16 | C5 | H17 | 179.9° | 180.0° |
| C16 | N34 | N33 | C15 | 158.4° | 180.0° |
| C16 | N34 | N33 | C11 | 156.3° | 180.0° |
| C16 | N34 | C15 | C4 | 25.6° | 0.4° |
| C16 | N34 | C15 | C12 | 154.0° | 180.0° |
| N34 | C16 | C9 | H6 | 4.9° | 0.0° |
| N34 | C16 | C5 | H17 | 5.1° | 0.0° |
| O41 | C23 | C22 | H19 | 119.9° | 119.5° |
| O41 | C23 | C22 | H20 | 119.9° | 119.5° |
| O41 | C23 | C22 | H9 | 124.6° | 120.7° |
| O41 | C23 | C22 | H10 | 114.1° | 116.8° |
| O41 | C23 | H19 | H20 | 120.3° | 121.1° |
| C23 | O41 | C26 | H23 | 106.4° | 158.7° |
| C23 | O41 | C26 | H24 | 133.5° | 78.5° |
| C23 | C22 | H9 | H10 | 121.9° | 122.5° |
| C23 | C22 | C27 | H13 | 126.5° | 97.3° |
| C22 | C23 | H19 | H20 | 120.3° | 121.0° |
| N33 | N34 | C15 | C4 | 178.6° | 179.6° |
| N33 | N34 | C15 | C12 | 1.8° | 0.0° |
| N34 | N33 | C11 | C12 | 1.5° | 0.0° |
| N34 | N33 | C11 | H8 | 178.5° | 179.6° |
| C15 | N34 | N33 | C11 | 2.1° | 0.0° |
| N34 | C15 | C4 | C12 | 179.5° | 179.6° |
| N34 | C15 | C4 | C7 | 179.4° | 179.9° |
| N34 | C15 | C12 | C11 | 0.7° | 0.0° |
| N34 | C15 | C12 | C8 | 180.0° | 179.6° |
| N34 | C15 | C4 | H16 | 0.6° | 0.1° |
| O40 | C25 | C24 | H21 | 119.9° | 119.7° |
| O40 | C25 | C24 | H22 | 120.0° | 119.7° |
| O40 | C25 | C24 | O39 | 67.1° | 59.7° |
| C25 | O40 | C18 | C17 | 22.4° | 17.5° |
| C25 | O40 | C18 | C10 | 159.9° | 162.5° |
| O40 | C25 | C24 | H11 | 52.8° | 60.0° |
| O40 | C25 | C24 | H12 | 173.0° | 179.4° |
| O40 | C25 | H21 | H22 | 120.1° | 120.6° |
| C24 | C25 | O40 | C18 | 53.0° | 46.3° |
| C25 | C24 | O39 | H11 | 119.9° | 119.7° |
| C25 | C24 | O39 | H12 | 119.9° | 119.8° |
| C25 | C24 | O39 | C17 | 45.7° | 46.2° |
| C25 | C24 | H11 | H12 | 120.3° | 120.7° |
| C24 | C25 | H21 | H22 | 120.1° | 120.6° |
| N33 | C11 | C12 | C15 | 0.5° | 0.0° |
| N33 | C11 | C12 | H8 | 180.0° | 179.5° |
| N33 | C11 | C12 | C8 | 178.6° | 179.5° |
| C15 | C4 | C7 | H16 | 180.0° | 180.0° |
| C15 | C4 | C7 | C19 | 1.0° | 0.0° |
| C4 | C15 | C12 | C11 | 179.7° | 179.7° |
| C4 | C15 | C12 | C8 | 0.4° | 0.7° |
| C15 | C4 | C7 | H4 | 179.0° | 179.8° |
| C7 | C4 | C15 | C12 | 1.1° | 0.5° |
| C4 | C7 | C19 | H4 | 180.0° | 179.8° |
| C4 | C7 | C19 | C8 | 0.2° | 0.2° |
| C4 | C7 | C19 | O42 | 178.1° | 179.8° |
| C15 | C12 | C11 | C8 | 179.1° | 179.6° |
| C15 | C12 | C8 | C19 | 0.4° | 0.5° |
| C15 | C12 | C8 | H5 | 179.6° | 179.5° |
| C15 | C12 | C11 | H8 | 179.5° | 179.6° |
| C12 | C15 | C4 | H16 | 178.9° | 179.5° |
| O40 | C18 | C17 | O39 | 2.7° | 0.6° |
| O40 | C18 | C17 | C10 | 177.6° | 179.9° |
| O40 | C18 | C17 | C6 | 180.0° | 179.6° |
| O40 | C18 | C10 | C14 | 179.0° | 179.7° |
| O40 | C18 | C10 | H7 | 1.0° | 0.3° |
| C18 | O40 | C25 | H21 | 173.0° | 73.4° |
| C18 | O40 | C25 | H22 | 66.9° | 166.0° |
| C24 | O39 | C17 | C18 | 15.7° | 17.3° |
| C24 | O39 | C17 | C6 | 166.9° | 162.9° |
| O39 | C24 | H11 | H12 | 120.3° | 120.5° |
| O39 | C24 | C25 | H21 | 172.9° | 60.0° |
| O39 | C24 | C25 | H22 | 52.9° | 179.4° |
| C7 | C19 | C8 | C12 | 0.5° | 0.0° |
| C7 | C19 | C8 | O42 | 178.1° | 180.0° |
| C7 | C19 | O42 | C30 | 152.8° | 5.7° |
| C7 | C19 | C8 | H5 | 179.5° | 180.0° |
| C19 | C7 | C4 | H16 | 179.0° | 180.0° |
| C11 | C12 | C8 | C19 | 178.6° | 180.0° |
| C11 | C12 | C8 | H5 | 1.4° | 0.0° |
| O39 | C17 | C18 | C6 | 177.3° | 179.8° |
| O39 | C17 | C18 | C10 | 179.7° | 179.4° |
| O39 | C17 | C6 | C3 | 178.9° | 179.6° |
| C17 | O39 | C24 | H11 | 74.1° | 73.5° |
| C17 | O39 | C24 | H12 | 165.6° | 165.9° |
| O39 | C17 | C6 | H18 | 1.1° | 0.4° |
| C12 | C8 | C19 | H5 | 180.0° | 180.0° |
| C12 | C8 | C19 | O42 | 178.6° | 180.0° |
| C8 | C12 | C11 | H8 | 1.4° | 0.0° |
| C17 | C18 | C10 | C14 | 1.3° | 0.4° |
| C18 | C17 | C6 | C3 | 1.4° | 0.2° |
| C17 | C18 | C10 | H7 | 178.7° | 179.6° |
| C18 | C17 | C6 | H18 | 178.6° | 179.8° |
| C10 | C18 | C17 | C6 | 2.4° | 0.5° |
| C18 | C10 | C14 | H7 | 180.0° | 180.0° |
| C18 | C10 | C14 | C3 | 0.6° | 0.0° |
| C18 | C10 | C14 | C30 | 178.8° | 180.0° |
| C17 | C6 | C3 | H18 | 180.0° | 180.0° |
| C17 | C6 | C3 | C14 | 0.6° | 0.2° |
| C17 | C6 | C3 | H3 | 179.4° | 180.0° |
| C10 | C14 | C3 | C6 | 1.6° | 0.3° |
| C10 | C14 | C30 | O42 | 21.2° | 145.0° |
| C10 | C14 | C3 | C30 | 178.2° | 180.0° |
| C10 | C14 | C30 | C31 | 96.1° | 95.0° |
| C10 | C14 | C3 | H3 | 178.4° | 179.9° |
| C10 | C14 | C30 | H14 | 143.1° | 25.0° |
| C8 | C19 | O42 | C30 | 28.9° | 174.4° |
| C8 | C19 | C7 | H4 | 179.8° | 180.0° |
| C19 | O42 | C30 | C14 | 76.8° | 140.8° |
| C19 | O42 | C30 | C31 | 160.9° | 99.3° |
| O42 | C19 | C7 | H4 | 1.9° | 0.0° |
| O42 | C19 | C8 | H5 | 1.4° | 0.0° |
| C19 | O42 | C30 | H14 | 44.5° | 20.7° |
| C6 | C3 | C14 | H3 | 180.0° | 179.7° |
| C6 | C3 | C14 | C30 | 179.8° | 179.7° |
| O42 | C30 | C14 | C3 | 156.9° | 35.0° |
| O42 | C30 | C14 | C31 | 117.3° | 120.0° |
| O42 | C30 | C14 | H14 | 121.9° | 120.0° |
| O42 | C30 | C31 | H14 | 117.1° | 120.0° |
| O42 | C30 | C31 | N36 | 166.9° | 180.0° |
| O42 | C30 | C31 | C28 | 68.5° | 60.0° |
| O42 | C30 | C31 | H15 | 47.7° | 60.0° |
| C3 | C14 | C30 | C31 | 85.8° | 85.0° |
| C3 | C14 | C10 | H7 | 179.4° | 180.0° |
| C3 | C14 | C30 | H14 | 35.0° | 155.0° |
| C14 | C3 | C6 | H18 | 179.4° | 179.8° |
| C14 | C30 | C31 | H14 | 120.7° | 120.0° |
| C14 | C30 | C31 | N36 | 44.7° | 60.0° |
| C14 | C30 | C31 | C28 | 169.3° | 180.0° |
| C30 | C14 | C3 | H3 | 0.2° | 0.0° |
| C30 | C14 | C10 | H7 | 1.3° | 0.0° |
| C14 | C30 | C31 | H15 | 74.5° | 60.0° |
| C30 | C31 | N36 | C28 | 124.4° | 120.0° |
| C30 | C31 | N36 | H15 | 118.6° | 120.0° |
| C30 | C31 | C28 | H15 | 116.2° | 120.0° |
| C30 | C31 | N36 | C21 | 105.7° | 85.0° |
| C30 | C31 | C28 | H25 | 180.0° | 60.0° |
| C30 | C31 | C28 | H26 | 60.0° | 180.0° |
| C30 | C31 | C28 | H27 | 60.0° | 60.0° |
| C30 | C31 | N36 | H32 | 74.3° | 95.0° |
| N36 | C31 | C28 | H15 | 117.4° | 120.0° |
| C31 | N36 | C21 | O38 | 1.0° | 0.0° |
| C31 | N36 | C21 | H32 | 180.0° | 180.0° |
| C31 | N36 | C21 | C32 | 179.0° | 180.0° |
| N36 | C31 | C30 | H14 | 76.0° | 60.0° |
| N36 | C31 | C28 | H25 | 53.6° | 180.0° |
| N36 | C31 | C28 | H26 | 66.4° | 60.0° |
| N36 | C31 | C28 | H27 | 173.6° | 60.0° |
| C28 | C31 | N36 | C21 | 129.8° | 155.0° |
| C28 | C31 | C30 | H14 | 48.6° | 60.0° |
| C31 | C28 | H25 | H26 | 120.0° | 120.0° |
| C31 | C28 | H25 | H27 | 120.0° | 120.1° |
| C31 | C28 | H26 | H27 | 120.0° | 120.0° |
| C28 | C31 | N36 | H32 | 50.1° | 25.0° |
| O38 | C21 | C32 | C29 | 69.8° | 25.0° |
| O38 | C21 | N36 | C32 | 178.0° | 180.0° |
| O38 | C21 | C32 | F44 | 47.4° | 145.0° |
| O38 | C21 | C32 | F43 | 166.8° | 95.1° |
| O38 | C21 | N36 | H32 | 179.0° | 180.0° |
| C29 | C32 | C21 | N36 | 108.3° | 155.0° |
| C29 | C32 | C21 | F44 | 117.2° | 120.0° |
| C29 | C32 | C21 | F43 | 123.5° | 120.1° |
| C29 | C32 | F44 | F43 | 119.4° | 120.0° |
| C32 | C29 | H28 | H29 | 120.0° | 120.0° |
| C32 | C29 | H28 | H30 | 120.0° | 120.0° |
| C32 | C29 | H29 | H30 | 120.0° | 120.0° |
| N36 | C21 | C32 | F44 | 134.5° | 35.0° |
| N36 | C21 | C32 | F43 | 15.1° | 85.0° |
| C21 | N36 | C31 | H15 | 12.9° | 35.0° |
| C21 | C32 | F44 | F43 | 125.0° | 120.0° |
| C21 | C32 | C29 | H28 | 180.0° | 60.0° |
| C21 | C32 | C29 | H29 | 60.0° | 180.0° |
| C21 | C32 | C29 | H30 | 60.0° | 60.0° |
| C32 | C21 | N36 | H32 | 1.0° | 0.0° |
| F44 | C32 | C29 | H28 | 59.8° | 180.0° |
| F44 | C32 | C29 | H29 | 60.2° | 60.0° |
| F44 | C32 | C29 | H30 | 179.8° | 60.0° |
| F43 | C32 | C29 | H28 | 54.8° | 60.0° |
| F43 | C32 | C29 | H29 | 174.9° | 59.9° |
| F43 | C32 | C29 | H30 | 65.1° | 180.0° |
| H1 | C1 | C2 | H2 | 1.6° | 0.3° |
| H1 | C1 | C5 | H17 | 0.6° | 0.3° |
| H3 | C3 | C6 | H18 | 0.6° | 0.0° |
| H4 | C7 | C4 | H16 | 1.0° | 0.2° |
| H9 | C22 | C27 | H13 | 114.1° | 144.1° |
| H9 | C22 | C23 | H19 | 115.5° | 1.2° |
| H9 | C22 | C23 | H20 | 4.7° | 119.8° |
| H10 | C22 | C27 | H13 | 7.2° | 21.4° |
| H10 | C22 | C23 | H19 | 5.8° | 123.7° |
| H10 | C22 | C23 | H20 | 126.0° | 2.7° |
| H11 | C24 | C25 | H21 | 67.2° | 179.7° |
| H11 | C24 | C25 | H22 | 172.7° | 59.7° |
| H12 | C24 | C25 | H21 | 53.0° | 59.7° |
| H12 | C24 | C25 | H22 | 67.0° | 60.9° |
| H13 | C27 | C26 | H23 | 10.1° | 37.3° |
| H13 | C27 | C26 | H24 | 110.0° | 160.3° |
| H13 | C27 | N35 | H31 | 26.7° | 148.7° |
| H14 | C30 | C31 | H15 | 164.8° | 180.0° |
| H15 | C31 | C28 | H25 | 63.8° | 60.0° |
| H15 | C31 | C28 | H26 | 176.2° | 60.0° |
| H15 | C31 | C28 | H27 | 56.2° | 179.9° |
| H15 | C31 | N36 | H32 | 167.1° | 145.0° |
| H25 | C28 | H26 | H27 | 119.9° | 120.0° |
| H28 | C29 | H29 | H30 | 119.9° | 120.0° |
