8FF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C2 | doub | 1.31Å | 1.32Å | |
| O2 | C1 | sing | 1.43Å | 1.43Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C1 | C10 | sing | 1.53Å | 1.52Å | |
| C3 | O1 | sing | 1.43Å | 1.44Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C10 | C5 | sing | 1.51Å | 1.52Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.33Å | 1.35Å | |
| C6 | C7 | sing | 1.47Å | 1.47Å | |
| C7 | C8 | doub | 1.33Å | 1.36Å | |
| C8 | C14 | sing | 1.50Å | 1.51Å | |
| C8 | C9 | sing | 1.52Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.56Å | 1.53Å | |
| C18 | C13 | sing | 1.53Å | 1.55Å | |
| C14 | C13 | sing | 1.56Å | 1.52Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.55Å | 1.54Å | |
| C13 | C17 | sing | 1.52Å | 1.54Å | |
| C13 | C12 | sing | 1.51Å | 1.54Å | |
| C11 | C12 | sing | 1.54Å | 1.54Å | |
| C17 | C20 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | sing | 1.51Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C25 | O3 | doub | 1.21Å | 1.22Å | |
| C25 | C26 | sing | 1.41Å | 1.48Å | |
| C20 | C22 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.40Å | 1.37Å | Aromatic |
| C26 | N1 | sing | 1.38Å | 1.34Å | Aromatic |
| C28 | C29 | doub | 1.36Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | C30 | sing | 1.53Å | 1.53Å | |
| N1 | C29 | sing | 1.35Å | 1.34Å | Aromatic |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C29 | H2 | sing | 1.08Å | 1.08Å | |
| C28 | H3 | sing | 1.08Å | 1.08Å | |
| C27 | H4 | sing | 1.08Å | 1.08Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C30 | H10 | sing | 1.09Å | 1.10Å | |
| C30 | H11 | sing | 1.09Å | 1.10Å | |
| C31 | H12 | sing | 1.09Å | 1.10Å | |
| C31 | H13 | sing | 1.09Å | 1.10Å | |
| C32 | H14 | sing | 1.09Å | 1.10Å | |
| C32 | H15 | sing | 1.09Å | 1.10Å | |
| C33 | H16 | sing | 1.09Å | 1.10Å | |
| C33 | H17 | sing | 1.09Å | 1.10Å | |
| C33 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C12 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C11 | H29 | sing | 1.09Å | 1.10Å | |
| C11 | H30 | sing | 1.09Å | 1.10Å | |
| C9 | H31 | sing | 1.09Å | 1.10Å | |
| C9 | H32 | sing | 1.09Å | 1.10Å | |
| C16 | H33 | sing | 1.09Å | 1.10Å | |
| C16 | H34 | sing | 1.09Å | 1.10Å | |
| C15 | H35 | sing | 1.09Å | 1.10Å | |
| C15 | H36 | sing | 1.09Å | 1.10Å | |
| C14 | H37 | sing | 1.09Å | 1.10Å | |
| C7 | H38 | sing | 1.08Å | 1.08Å | |
| C6 | H39 | sing | 1.08Å | 1.08Å | |
| C10 | H40 | sing | 1.09Å | 1.10Å | |
| C10 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å | |
| C3 | H44 | sing | 1.09Å | 1.10Å | |
| O1 | H45 | sing | 0.97Å | 0.95Å | |
| C19 | H46 | sing | 1.08Å | 1.08Å | |
| C19 | H47 | sing | 1.08Å | 1.08Å | |
| C1 | H48 | sing | 1.09Å | 1.10Å | |
| O2 | H49 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C2 | C1 | 121.3° | 120.6° |
| C19 | C2 | C3 | 120.1° | 120.7° |
| C2 | C19 | H46 | 120.0° | 120.0° |
| C2 | C19 | H47 | 120.0° | 120.0° |
| O2 | C1 | C2 | 111.6° | 109.6° |
| O2 | C1 | C10 | 108.4° | 109.8° |
| O2 | C1 | H48 | 109.1° | 109.7° |
| C1 | O2 | H49 | 109.5° | 114.0° |
| C1 | C2 | C3 | 118.6° | 118.7° |
| C2 | C1 | C10 | 111.3° | 108.7° |
| C2 | C1 | H48 | 108.3° | 109.6° |
| C2 | C3 | O1 | 112.8° | 109.6° |
| C2 | C3 | C4 | 105.6° | 108.6° |
| C2 | C3 | H44 | 108.9° | 109.8° |
| C1 | C10 | C5 | 115.7° | 108.7° |
| C1 | C10 | H40 | 107.9° | 109.6° |
| C1 | C10 | H41 | 107.9° | 109.8° |
| C10 | C1 | H48 | 108.0° | 109.4° |
| O1 | C3 | C4 | 111.0° | 109.6° |
| O1 | C3 | H44 | 109.8° | 109.6° |
| C3 | O1 | H45 | 109.5° | 114.0° |
| C3 | C4 | C5 | 112.1° | 108.6° |
| C3 | C4 | H42 | 108.8° | 109.6° |
| C3 | C4 | H43 | 108.8° | 109.7° |
| C4 | C3 | H44 | 108.7° | 109.6° |
| C10 | C5 | C4 | 122.3° | 118.9° |
| C10 | C5 | C6 | 121.2° | 120.6° |
| C5 | C10 | H40 | 107.9° | 109.6° |
| C5 | C10 | H41 | 107.9° | 109.6° |
| C4 | C5 | C6 | 116.5° | 120.5° |
| C5 | C4 | H42 | 108.8° | 109.6° |
| C5 | C4 | H43 | 108.8° | 109.6° |
| C5 | C6 | C7 | 124.0° | 120.0° |
| C5 | C6 | H39 | 118.0° | 119.9° |
| C6 | C7 | C8 | 122.0° | 120.0° |
| C6 | C7 | H38 | 119.0° | 120.0° |
| C7 | C6 | H39 | 118.0° | 120.1° |
| C7 | C8 | C14 | 125.0° | 122.4° |
| C7 | C8 | C9 | 125.5° | 122.4° |
| C8 | C7 | H38 | 119.0° | 120.0° |
| C14 | C8 | C9 | 109.4° | 115.2° |
| C8 | C14 | C15 | 121.1° | 116.7° |
| C8 | C14 | C13 | 107.6° | 105.5° |
| C8 | C14 | H37 | 107.5° | 111.1° |
| C8 | C9 | C11 | 109.0° | 110.7° |
| C8 | C9 | H31 | 109.6° | 109.2° |
| C8 | C9 | H32 | 109.6° | 109.2° |
| C14 | C15 | C16 | 104.3° | 102.7° |
| C15 | C14 | C13 | 105.6° | 101.2° |
| C14 | C15 | H35 | 110.8° | 110.7° |
| C14 | C15 | H36 | 110.7° | 110.8° |
| C15 | C14 | H37 | 107.2° | 110.8° |
| C15 | C16 | C17 | 106.3° | 106.3° |
| C15 | C16 | H33 | 110.2° | 110.0° |
| C15 | C16 | H34 | 110.2° | 110.1° |
| C16 | C15 | H35 | 110.7° | 110.8° |
| C16 | C15 | H36 | 110.8° | 110.7° |
| C18 | C13 | C14 | 110.0° | 108.6° |
| C18 | C13 | C17 | 110.5° | 109.3° |
| C18 | C13 | C12 | 110.8° | 109.3° |
| C13 | C18 | H24 | 109.5° | 109.4° |
| C13 | C18 | H25 | 109.4° | 109.5° |
| C13 | C18 | H26 | 109.5° | 109.4° |
| C14 | C13 | C17 | 100.1° | 103.2° |
| C14 | C13 | C12 | 107.6° | 107.6° |
| C13 | C14 | H37 | 107.3° | 110.9° |
| C9 | C11 | C12 | 112.7° | 111.8° |
| C9 | C11 | H29 | 108.7° | 109.0° |
| C9 | C11 | H30 | 108.7° | 109.0° |
| C11 | C9 | H31 | 109.6° | 109.2° |
| C11 | C9 | H32 | 109.6° | 109.2° |
| C16 | C17 | C13 | 103.7° | 105.1° |
| C16 | C17 | C20 | 113.1° | 110.3° |
| C16 | C17 | H23 | 107.1° | 110.3° |
| C17 | C16 | H33 | 110.2° | 110.1° |
| C17 | C16 | H34 | 110.2° | 110.1° |
| C17 | C13 | C12 | 117.3° | 118.3° |
| C13 | C17 | C20 | 118.2° | 110.3° |
| C13 | C17 | H23 | 107.1° | 110.3° |
| C13 | C12 | C11 | 114.4° | 107.5° |
| C13 | C12 | H27 | 108.2° | 109.8° |
| C13 | C12 | H28 | 108.2° | 109.9° |
| C11 | C12 | H27 | 108.2° | 109.9° |
| C11 | C12 | H28 | 108.3° | 109.9° |
| C12 | C11 | H29 | 108.6° | 109.0° |
| C12 | C11 | H30 | 108.7° | 109.0° |
| C17 | C20 | C22 | 111.0° | 109.4° |
| C17 | C20 | C21 | 111.1° | 109.5° |
| C17 | C20 | H19 | 106.9° | 109.5° |
| C20 | C17 | H23 | 107.1° | 110.4° |
| C25 | C24 | C23 | 105.9° | 109.4° |
| C24 | C25 | O3 | 123.7° | 120.0° |
| C24 | C25 | C26 | 117.8° | 120.0° |
| C25 | C24 | H5 | 110.4° | 109.5° |
| C25 | C24 | H6 | 110.4° | 109.5° |
| C24 | C23 | C22 | 115.9° | 109.5° |
| C23 | C24 | H5 | 110.4° | 109.4° |
| C23 | C24 | H6 | 110.3° | 109.5° |
| C24 | C23 | H7 | 107.8° | 109.5° |
| C24 | C23 | H8 | 107.8° | 109.5° |
| O3 | C25 | C26 | 118.5° | 120.0° |
| C25 | C26 | C27 | 128.1° | 126.3° |
| C25 | C26 | N1 | 123.3° | 126.3° |
| C22 | C20 | C21 | 113.4° | 109.5° |
| C20 | C22 | C23 | 113.9° | 109.4° |
| C20 | C22 | C30 | 111.5° | 109.5° |
| C20 | C22 | H9 | 108.2° | 109.5° |
| C22 | C20 | H19 | 107.0° | 109.5° |
| C21 | C20 | H19 | 107.0° | 109.5° |
| C20 | C21 | H20 | 109.5° | 109.5° |
| C20 | C21 | H21 | 109.5° | 109.4° |
| C20 | C21 | H22 | 109.4° | 109.5° |
| C26 | C27 | C28 | 107.8° | 107.0° |
| C27 | C26 | N1 | 108.6° | 107.4° |
| C26 | C27 | H4 | 126.1° | 126.5° |
| C27 | C28 | C29 | 105.4° | 107.9° |
| C27 | C28 | H3 | 127.3° | 126.1° |
| C28 | C27 | H4 | 126.1° | 126.5° |
| C26 | N1 | C29 | 107.7° | 108.7° |
| C26 | N1 | H1 | 126.1° | 125.6° |
| C28 | C29 | N1 | 110.5° | 109.1° |
| C28 | C29 | H2 | 124.7° | 125.5° |
| C29 | C28 | H3 | 127.3° | 126.0° |
| C23 | C22 | C30 | 106.7° | 109.5° |
| C22 | C23 | H7 | 107.8° | 109.5° |
| C22 | C23 | H8 | 107.8° | 109.5° |
| C23 | C22 | H9 | 108.3° | 109.4° |
| C22 | C30 | C31 | 113.4° | 109.5° |
| C30 | C22 | H9 | 108.1° | 109.5° |
| C22 | C30 | H10 | 108.5° | 109.5° |
| C22 | C30 | H11 | 108.5° | 109.5° |
| C29 | N1 | H1 | 126.2° | 125.7° |
| N1 | C29 | H2 | 124.7° | 125.4° |
| C33 | C32 | C31 | 109.0° | 109.5° |
| C33 | C32 | H14 | 109.6° | 109.5° |
| C33 | C32 | H15 | 109.6° | 109.5° |
| C32 | C33 | H16 | 109.5° | 109.5° |
| C32 | C33 | H17 | 109.5° | 109.5° |
| C32 | C33 | H18 | 109.5° | 109.5° |
| C32 | C31 | C30 | 115.9° | 109.5° |
| C32 | C31 | H12 | 107.9° | 109.5° |
| C32 | C31 | H13 | 107.8° | 109.5° |
| C31 | C32 | H14 | 109.6° | 109.4° |
| C31 | C32 | H15 | 109.6° | 109.5° |
| C31 | C30 | H10 | 108.5° | 109.5° |
| C31 | C30 | H11 | 108.5° | 109.4° |
| C30 | C31 | H12 | 107.8° | 109.5° |
| C30 | C31 | H13 | 107.8° | 109.5° |
| H5 | C24 | H6 | 109.5° | 109.6° |
| H7 | C23 | H8 | 109.5° | 109.4° |
| H10 | C30 | H11 | 109.5° | 109.5° |
| H12 | C31 | H13 | 109.5° | 109.4° |
| H14 | C32 | H15 | 109.5° | 109.4° |
| H16 | C33 | H17 | 109.4° | 109.5° |
| H16 | C33 | H18 | 109.5° | 109.4° |
| H17 | C33 | H18 | 109.5° | 109.5° |
| H20 | C21 | H21 | 109.5° | 109.4° |
| H20 | C21 | H22 | 109.5° | 109.5° |
| H21 | C21 | H22 | 109.5° | 109.5° |
| H24 | C18 | H25 | 109.5° | 109.5° |
| H24 | C18 | H26 | 109.5° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.5° |
| H27 | C12 | H28 | 109.5° | 109.8° |
| H29 | C11 | H30 | 109.5° | 109.0° |
| H31 | C9 | H32 | 109.4° | 109.2° |
| H33 | C16 | H34 | 109.5° | 110.1° |
| H35 | C15 | H36 | 109.5° | 110.9° |
| H40 | C10 | H41 | 109.4° | 109.6° |
| H42 | C4 | H43 | 109.5° | 109.6° |
| H46 | C19 | H47 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C2 | C1 | O2 | 9.1° | 115.3° |
| C19 | C2 | C1 | C3 | 179.3° | 179.7° |
| C19 | C2 | C1 | C10 | 130.4° | 124.8° |
| C19 | C2 | C3 | O1 | 122.8° | 5.1° |
| C19 | C2 | C3 | C4 | 115.9° | 124.8° |
| C19 | C2 | C3 | H44 | 0.7° | 115.4° |
| C2 | C19 | H46 | H47 | 180.0° | 179.9° |
| C19 | C2 | C1 | H48 | 111.0° | 5.2° |
| O2 | C1 | C2 | C10 | 121.3° | 120.0° |
| O2 | C1 | C2 | H48 | 120.1° | 120.5° |
| O2 | C1 | C2 | C3 | 171.6° | 64.4° |
| O2 | C1 | C10 | H48 | 118.1° | 120.5° |
| O2 | C1 | C10 | C5 | 147.0° | 70.4° |
| O2 | C1 | C10 | H40 | 26.1° | 169.9° |
| O2 | C1 | C10 | H41 | 92.0° | 49.5° |
| C2 | C1 | C10 | H48 | 118.7° | 119.7° |
| C1 | C2 | C3 | O1 | 56.5° | 175.3° |
| C1 | C2 | C3 | C4 | 64.8° | 55.6° |
| C2 | C1 | C10 | C5 | 23.9° | 49.5° |
| C2 | C1 | C10 | H40 | 97.1° | 70.2° |
| C2 | C1 | C10 | H41 | 144.8° | 169.4° |
| C1 | C2 | C3 | H44 | 178.6° | 64.3° |
| C1 | C2 | C19 | H46 | 179.3° | 0.1° |
| C1 | C2 | C19 | H47 | 0.7° | 180.0° |
| C2 | C1 | O2 | H49 | 180.0° | 60.0° |
| C3 | C2 | C1 | C10 | 50.3° | 55.6° |
| C2 | C3 | O1 | C4 | 118.2° | 119.1° |
| C2 | C3 | O1 | H44 | 121.6° | 120.6° |
| C2 | C3 | C4 | H44 | 116.7° | 119.9° |
| C2 | C3 | C4 | C5 | 51.9° | 49.4° |
| C2 | C3 | C4 | H42 | 172.3° | 169.2° |
| C2 | C3 | C4 | H43 | 68.5° | 70.3° |
| C2 | C3 | O1 | H45 | 180.0° | 60.9° |
| C3 | C2 | C19 | H46 | 0.0° | 179.7° |
| C3 | C2 | C19 | H47 | 180.0° | 0.4° |
| C3 | C2 | C1 | H48 | 68.3° | 175.1° |
| C1 | C10 | C5 | H40 | 120.9° | 119.7° |
| C1 | C10 | C5 | H41 | 120.9° | 120.0° |
| C1 | C10 | C5 | C4 | 19.3° | 54.9° |
| C1 | C10 | C5 | C6 | 161.6° | 124.7° |
| C1 | C10 | H40 | H41 | 117.1° | 120.5° |
| C10 | C1 | O2 | H49 | 57.0° | 179.3° |
| O1 | C3 | C4 | H44 | 120.8° | 120.3° |
| O1 | C3 | C4 | C5 | 70.5° | 169.1° |
| O1 | C3 | C4 | H42 | 49.8° | 71.1° |
| O1 | C3 | C4 | H43 | 169.0° | 49.4° |
| C3 | C4 | C5 | C10 | 34.6° | 54.9° |
| C3 | C4 | C5 | H42 | 120.4° | 119.8° |
| C3 | C4 | C5 | H43 | 120.4° | 119.8° |
| C3 | C4 | C5 | C6 | 146.1° | 124.7° |
| C3 | C4 | H42 | H43 | 118.8° | 120.5° |
| C4 | C3 | O1 | H45 | 61.8° | 180.0° |
| C10 | C5 | C4 | C6 | 179.2° | 179.6° |
| C10 | C5 | C6 | C7 | 0.7° | 174.1° |
| C10 | C5 | C6 | H39 | 179.3° | 5.9° |
| C5 | C10 | H40 | H41 | 117.1° | 120.3° |
| C10 | C5 | C4 | H42 | 155.0° | 174.7° |
| C10 | C5 | C4 | H43 | 85.8° | 64.9° |
| C5 | C10 | C1 | H48 | 94.9° | 169.2° |
| C4 | C5 | C6 | C7 | 178.5° | 5.5° |
| C4 | C5 | C6 | H39 | 1.5° | 174.5° |
| C4 | C5 | C10 | H40 | 101.7° | 64.8° |
| C4 | C5 | C10 | H41 | 140.2° | 174.9° |
| C5 | C4 | H42 | H43 | 118.8° | 120.3° |
| C5 | C4 | C3 | H44 | 168.6° | 70.5° |
| C5 | C6 | C7 | H39 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 173.5° | 174.5° |
| C5 | C6 | C7 | H38 | 6.5° | 5.5° |
| C6 | C5 | C10 | H40 | 77.5° | 115.6° |
| C6 | C5 | C10 | H41 | 40.6° | 4.7° |
| C6 | C5 | C4 | H42 | 25.8° | 4.9° |
| C6 | C5 | C4 | H43 | 93.4° | 115.5° |
| C6 | C7 | C8 | H38 | 180.0° | 180.0° |
| C6 | C7 | C8 | C14 | 178.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.8° | 0.1° |
| C7 | C8 | C14 | C9 | 179.0° | 179.9° |
| C7 | C8 | C14 | C15 | 12.7° | 10.4° |
| C7 | C8 | C14 | C13 | 108.6° | 121.9° |
| C7 | C8 | C9 | C11 | 117.1° | 129.8° |
| C7 | C8 | C9 | H31 | 123.0° | 9.5° |
| C7 | C8 | C9 | H32 | 2.8° | 109.9° |
| C7 | C8 | C14 | H37 | 136.1° | 117.9° |
| C8 | C7 | C6 | H39 | 6.5° | 5.5° |
| C8 | C14 | C15 | C13 | 122.3° | 113.9° |
| C8 | C14 | C15 | H37 | 123.5° | 128.4° |
| C8 | C14 | C15 | C16 | 150.1° | 156.2° |
| C8 | C14 | C13 | C18 | 57.6° | 51.6° |
| C8 | C14 | C13 | H37 | 115.4° | 120.3° |
| C14 | C8 | C9 | C11 | 61.9° | 50.3° |
| C8 | C14 | C13 | C17 | 173.8° | 167.6° |
| C8 | C14 | C13 | C12 | 63.2° | 66.6° |
| C14 | C8 | C9 | H31 | 58.0° | 170.6° |
| C14 | C8 | C9 | H32 | 178.1° | 70.0° |
| C8 | C14 | C15 | H35 | 31.0° | 85.5° |
| C8 | C14 | C15 | H36 | 90.7° | 38.0° |
| C14 | C8 | C7 | H38 | 2.0° | 0.0° |
| C9 | C8 | C14 | C15 | 168.2° | 169.7° |
| C9 | C8 | C14 | C13 | 70.5° | 58.2° |
| C8 | C9 | C11 | H31 | 120.0° | 120.3° |
| C8 | C9 | C11 | H32 | 120.0° | 120.3° |
| C8 | C9 | C11 | C12 | 49.1° | 48.6° |
| C8 | C9 | C11 | H29 | 169.6° | 72.0° |
| C8 | C9 | C11 | H30 | 71.4° | 169.1° |
| C8 | C9 | H31 | H32 | 120.2° | 119.4° |
| C9 | C8 | C14 | H37 | 44.8° | 62.0° |
| C9 | C8 | C7 | H38 | 179.2° | 179.9° |
| C14 | C15 | C16 | H35 | 119.2° | 118.3° |
| C14 | C15 | C16 | H36 | 119.1° | 118.3° |
| C15 | C14 | C13 | C18 | 72.9° | 70.4° |
| C15 | C14 | C13 | H37 | 114.1° | 117.6° |
| C14 | C15 | C16 | C17 | 0.9° | 24.2° |
| C15 | C14 | C13 | C17 | 43.3° | 45.5° |
| C15 | C14 | C13 | C12 | 166.3° | 171.4° |
| C14 | C15 | C16 | H33 | 120.4° | 95.1° |
| C14 | C15 | C16 | H34 | 118.6° | 143.4° |
| C14 | C15 | H35 | H36 | 122.4° | 123.4° |
| C16 | C15 | C14 | C13 | 27.9° | 42.3° |
| C15 | C16 | C17 | H33 | 119.5° | 119.2° |
| C15 | C16 | C17 | H34 | 119.5° | 119.3° |
| C15 | C16 | C17 | C13 | 25.7° | 3.9° |
| C15 | C16 | C17 | C20 | 154.9° | 122.8° |
| C15 | C16 | C17 | H23 | 87.4° | 115.0° |
| C15 | C16 | H33 | H34 | 121.5° | 121.6° |
| C16 | C15 | H35 | H36 | 122.4° | 123.3° |
| C16 | C15 | C14 | H37 | 86.3° | 75.4° |
| C18 | C13 | C14 | C17 | 116.2° | 116.0° |
| C18 | C13 | C14 | C12 | 120.8° | 118.2° |
| C18 | C13 | C17 | C16 | 74.1° | 85.2° |
| C18 | C13 | C17 | C12 | 128.2° | 125.9° |
| C18 | C13 | C12 | C11 | 67.9° | 49.7° |
| C18 | C13 | C17 | C20 | 52.0° | 33.7° |
| C18 | C13 | C17 | H23 | 172.9° | 155.8° |
| C13 | C18 | H24 | H25 | 120.0° | 120.1° |
| C13 | C18 | H24 | H26 | 120.0° | 119.9° |
| C13 | C18 | H25 | H26 | 120.0° | 120.0° |
| C18 | C13 | C12 | H27 | 52.8° | 69.8° |
| C18 | C13 | C12 | H28 | 171.3° | 169.2° |
| C18 | C13 | C14 | H37 | 173.0° | 172.0° |
| C14 | C13 | C17 | C16 | 41.8° | 30.2° |
| C14 | C13 | C17 | C12 | 116.0° | 118.6° |
| C14 | C13 | C12 | C11 | 52.3° | 68.1° |
| C14 | C13 | C17 | C20 | 167.9° | 149.1° |
| C14 | C13 | C17 | H23 | 71.2° | 88.7° |
| C14 | C13 | C18 | H24 | 180.0° | 179.7° |
| C14 | C13 | C18 | H25 | 60.0° | 59.6° |
| C14 | C13 | C18 | H26 | 60.0° | 60.4° |
| C14 | C13 | C12 | H27 | 173.1° | 172.4° |
| C14 | C13 | C12 | H28 | 68.4° | 51.5° |
| C13 | C14 | C15 | H35 | 91.3° | 160.6° |
| C13 | C14 | C15 | H36 | 147.0° | 76.0° |
| C9 | C11 | C12 | C13 | 46.3° | 59.1° |
| C9 | C11 | C12 | H29 | 120.5° | 120.6° |
| C9 | C11 | C12 | H30 | 120.5° | 120.5° |
| C9 | C11 | C12 | H27 | 167.0° | 178.6° |
| C9 | C11 | C12 | H28 | 74.4° | 60.5° |
| C9 | C11 | H29 | H30 | 118.5° | 118.9° |
| C11 | C9 | H31 | H32 | 120.2° | 119.4° |
| C16 | C17 | C13 | C20 | 126.1° | 118.9° |
| C16 | C17 | C13 | H23 | 113.0° | 118.9° |
| C16 | C17 | C13 | C12 | 157.8° | 148.8° |
| C16 | C17 | C20 | H23 | 117.7° | 122.1° |
| C16 | C17 | C20 | C22 | 52.7° | 58.4° |
| C16 | C17 | C20 | C21 | 179.9° | 178.4° |
| C16 | C17 | C20 | H19 | 63.8° | 61.6° |
| C17 | C16 | H33 | H34 | 121.5° | 121.6° |
| C17 | C16 | C15 | H35 | 118.3° | 142.4° |
| C17 | C16 | C15 | H36 | 120.0° | 94.1° |
| C17 | C13 | C12 | C11 | 164.1° | 175.6° |
| C13 | C17 | C20 | H23 | 120.9° | 122.1° |
| C13 | C17 | C20 | C22 | 174.0° | 174.1° |
| C13 | C17 | C20 | C21 | 58.8° | 65.9° |
| C13 | C17 | C20 | H19 | 57.6° | 54.1° |
| C17 | C13 | C18 | H24 | 70.5° | 68.4° |
| C17 | C13 | C18 | H25 | 169.5° | 171.5° |
| C17 | C13 | C18 | H26 | 49.5° | 51.5° |
| C17 | C13 | C12 | H27 | 75.2° | 56.1° |
| C17 | C13 | C12 | H28 | 43.3° | 64.8° |
| C13 | C17 | C16 | H33 | 93.8° | 123.1° |
| C13 | C17 | C16 | H34 | 145.2° | 115.3° |
| C17 | C13 | C14 | H37 | 70.8° | 72.1° |
| C13 | C12 | C11 | H27 | 120.7° | 119.5° |
| C13 | C12 | C11 | H28 | 120.7° | 119.6° |
| C12 | C13 | C17 | C20 | 76.2° | 92.3° |
| C12 | C13 | C17 | H23 | 44.7° | 29.9° |
| C12 | C13 | C18 | H24 | 61.1° | 62.6° |
| C12 | C13 | C18 | H25 | 58.9° | 57.5° |
| C12 | C13 | C18 | H26 | 178.9° | 177.5° |
| C13 | C12 | H27 | H28 | 117.7° | 120.9° |
| C13 | C12 | C11 | H29 | 166.8° | 61.5° |
| C13 | C12 | C11 | H30 | 74.2° | 179.6° |
| C12 | C13 | C14 | H37 | 52.2° | 53.8° |
| C11 | C12 | H27 | H28 | 117.8° | 121.0° |
| C12 | C11 | H29 | H30 | 118.5° | 118.9° |
| C12 | C11 | C9 | H31 | 70.9° | 168.9° |
| C12 | C11 | C9 | H32 | 169.1° | 71.7° |
| C17 | C20 | C22 | C21 | 125.9° | 120.0° |
| C17 | C20 | C22 | H19 | 116.3° | 120.0° |
| C17 | C20 | C21 | H19 | 116.3° | 120.0° |
| C17 | C20 | C22 | C23 | 167.7° | 176.5° |
| C17 | C20 | C22 | C30 | 71.5° | 63.5° |
| C17 | C20 | C22 | H9 | 47.3° | 56.6° |
| C17 | C20 | C21 | H20 | 180.0° | 59.9° |
| C17 | C20 | C21 | H21 | 60.0° | 60.0° |
| C17 | C20 | C21 | H22 | 60.0° | 180.0° |
| C20 | C17 | C16 | H33 | 35.4° | 118.0° |
| C20 | C17 | C16 | H34 | 85.6° | 3.6° |
| C25 | C24 | C23 | H5 | 119.4° | 119.9° |
| C25 | C24 | C23 | H6 | 119.4° | 120.0° |
| C24 | C25 | O3 | C26 | 179.6° | 179.7° |
| C24 | C25 | C26 | C27 | 1.8° | 0.0° |
| C24 | C25 | C26 | N1 | 178.5° | 179.8° |
| C25 | C24 | C23 | C22 | 162.5° | 174.8° |
| C25 | C24 | H5 | H6 | 121.7° | 120.0° |
| C25 | C24 | C23 | H7 | 41.5° | 65.2° |
| C25 | C24 | C23 | H8 | 76.6° | 54.8° |
| C23 | C24 | C25 | O3 | 104.8° | 0.0° |
| C23 | C24 | C25 | C26 | 74.8° | 179.7° |
| C24 | C23 | C22 | C20 | 75.2° | 64.3° |
| C24 | C23 | C22 | H7 | 121.0° | 120.0° |
| C24 | C23 | C22 | H8 | 120.9° | 120.0° |
| C24 | C23 | C22 | C30 | 161.3° | 175.7° |
| C23 | C24 | H5 | H6 | 121.6° | 120.0° |
| C24 | C23 | H7 | H8 | 117.0° | 120.0° |
| C24 | C23 | C22 | H9 | 45.1° | 55.7° |
| O3 | C25 | C26 | C27 | 177.8° | 179.7° |
| O3 | C25 | C26 | N1 | 1.9° | 0.1° |
| O3 | C25 | C24 | H5 | 14.6° | 120.0° |
| O3 | C25 | C24 | H6 | 135.8° | 119.9° |
| C25 | C26 | C27 | N1 | 179.7° | 179.8° |
| C25 | C26 | C27 | C28 | 179.9° | 179.9° |
| C25 | C26 | N1 | C29 | 179.5° | 180.0° |
| C25 | C26 | N1 | H1 | 0.5° | 0.0° |
| C25 | C26 | C27 | H4 | 0.2° | 0.0° |
| C26 | C25 | C24 | H5 | 165.8° | 60.4° |
| C26 | C25 | C24 | H6 | 44.7° | 59.7° |
| C22 | C20 | C21 | H19 | 117.8° | 120.0° |
| C20 | C22 | C23 | C30 | 123.5° | 120.0° |
| C20 | C22 | C23 | H9 | 120.4° | 120.0° |
| C20 | C22 | C30 | H9 | 118.8° | 120.0° |
| C20 | C22 | C30 | C31 | 122.4° | 174.2° |
| C20 | C22 | C23 | H7 | 45.7° | 55.7° |
| C20 | C22 | C23 | H8 | 163.8° | 175.7° |
| C20 | C22 | C30 | H10 | 1.8° | 54.2° |
| C20 | C22 | C30 | H11 | 117.1° | 65.8° |
| C22 | C20 | C21 | H20 | 54.1° | 60.0° |
| C22 | C20 | C21 | H21 | 65.9° | 179.9° |
| C22 | C20 | C21 | H22 | 174.1° | 60.0° |
| C22 | C20 | C17 | H23 | 65.0° | 63.7° |
| C21 | C20 | C22 | C23 | 66.3° | 63.5° |
| C21 | C20 | C22 | C30 | 54.5° | 56.5° |
| C21 | C20 | C22 | H9 | 173.2° | 176.5° |
| C20 | C21 | H20 | H21 | 120.0° | 119.9° |
| C20 | C21 | H20 | H22 | 120.0° | 120.0° |
| C20 | C21 | H21 | H22 | 120.0° | 120.0° |
| C21 | C20 | C17 | H23 | 62.2° | 56.2° |
| C26 | C27 | C28 | H4 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 0.1° | 0.3° |
| C27 | C26 | N1 | C29 | 0.8° | 0.2° |
| C27 | C26 | N1 | H1 | 179.2° | 179.8° |
| C26 | C27 | C28 | H3 | 179.9° | 179.8° |
| C28 | C27 | C26 | N1 | 0.4° | 0.3° |
| C27 | C28 | C29 | H3 | 180.0° | 179.8° |
| C27 | C28 | C29 | N1 | 0.6° | 0.2° |
| C27 | C28 | C29 | H2 | 179.4° | 179.8° |
| C26 | N1 | C29 | C28 | 0.9° | 0.0° |
| C26 | N1 | C29 | H1 | 180.0° | 180.0° |
| C26 | N1 | C29 | H2 | 179.2° | 180.0° |
| N1 | C26 | C27 | H4 | 179.6° | 179.8° |
| C28 | C29 | N1 | H2 | 180.0° | 180.0° |
| C28 | C29 | N1 | H1 | 179.2° | 180.0° |
| C29 | C28 | C27 | H4 | 179.9° | 179.7° |
| C23 | C22 | C30 | H9 | 116.2° | 120.0° |
| C23 | C22 | C30 | C31 | 112.7° | 65.8° |
| C22 | C23 | C24 | H5 | 78.1° | 54.9° |
| C22 | C23 | C24 | H6 | 43.1° | 65.2° |
| C22 | C23 | H7 | H8 | 117.1° | 120.0° |
| C23 | C22 | C30 | H10 | 126.7° | 174.1° |
| C23 | C22 | C30 | H11 | 7.9° | 54.1° |
| C23 | C22 | C20 | H19 | 51.4° | 56.5° |
| C22 | C30 | C31 | C32 | 59.6° | 175.9° |
| C22 | C30 | C31 | H10 | 120.6° | 120.0° |
| C22 | C30 | C31 | H11 | 120.6° | 120.0° |
| C30 | C22 | C23 | H7 | 77.8° | 64.3° |
| C30 | C22 | C23 | H8 | 40.3° | 55.7° |
| C22 | C30 | H10 | H11 | 118.2° | 120.0° |
| C22 | C30 | C31 | H12 | 179.5° | 55.9° |
| C22 | C30 | C31 | H13 | 61.4° | 64.1° |
| C30 | C22 | C20 | H19 | 172.2° | 176.5° |
| N1 | C29 | C28 | H3 | 179.4° | 180.0° |
| C33 | C32 | C31 | H14 | 119.9° | 120.0° |
| C33 | C32 | C31 | H15 | 119.9° | 120.0° |
| C33 | C32 | C31 | C30 | 171.5° | 180.0° |
| C33 | C32 | C31 | H12 | 50.6° | 60.0° |
| C33 | C32 | C31 | H13 | 67.6° | 60.0° |
| C33 | C32 | H14 | H15 | 120.2° | 120.0° |
| C32 | C33 | H16 | H17 | 120.0° | 120.0° |
| C32 | C33 | H16 | H18 | 120.0° | 120.0° |
| C32 | C33 | H17 | H18 | 120.0° | 120.0° |
| C32 | C31 | C30 | H12 | 120.9° | 120.1° |
| C32 | C31 | C30 | H13 | 120.9° | 120.0° |
| C32 | C31 | C30 | H10 | 179.9° | 64.1° |
| C32 | C31 | C30 | H11 | 61.0° | 55.9° |
| C32 | C31 | H12 | H13 | 117.1° | 120.0° |
| C31 | C32 | H14 | H15 | 120.2° | 119.9° |
| C31 | C32 | C33 | H16 | 180.0° | 60.0° |
| C31 | C32 | C33 | H17 | 60.0° | 60.0° |
| C31 | C32 | C33 | H18 | 60.0° | 180.0° |
| C31 | C30 | C22 | H9 | 3.5° | 54.2° |
| C31 | C30 | H10 | H11 | 118.2° | 120.0° |
| C30 | C31 | H12 | H13 | 117.1° | 120.0° |
| C30 | C31 | C32 | H14 | 68.6° | 59.9° |
| C30 | C31 | C32 | H15 | 51.6° | 60.0° |
| H1 | N1 | C29 | H2 | 0.8° | 0.0° |
| H2 | C29 | C28 | H3 | 0.6° | 0.1° |
| H3 | C28 | C27 | H4 | 0.1° | 0.1° |
| H5 | C24 | C23 | H7 | 161.0° | 174.9° |
| H5 | C24 | C23 | H8 | 42.9° | 65.2° |
| H6 | C24 | C23 | H7 | 77.9° | 54.8° |
| H6 | C24 | C23 | H8 | 164.0° | 174.7° |
| H7 | C23 | C22 | H9 | 166.1° | 175.7° |
| H8 | C23 | C22 | H9 | 75.8° | 64.4° |
| H9 | C22 | C30 | H10 | 117.0° | 65.9° |
| H9 | C22 | C30 | H11 | 124.1° | 174.1° |
| H9 | C22 | C20 | H19 | 69.0° | 63.4° |
| H10 | C30 | C31 | H12 | 58.9° | 175.9° |
| H10 | C30 | C31 | H13 | 59.2° | 55.9° |
| H11 | C30 | C31 | H12 | 59.9° | 64.1° |
| H11 | C30 | C31 | H13 | 178.1° | 175.9° |
| H12 | C31 | C32 | H14 | 170.5° | 180.0° |
| H12 | C31 | C32 | H15 | 69.3° | 60.1° |
| H13 | C31 | C32 | H14 | 52.4° | 60.1° |
| H13 | C31 | C32 | H15 | 172.5° | 180.0° |
| H14 | C32 | C33 | H16 | 60.1° | 180.0° |
| H14 | C32 | C33 | H17 | 59.9° | 60.0° |
| H14 | C32 | C33 | H18 | 179.9° | 60.0° |
| H15 | C32 | C33 | H16 | 60.1° | 60.0° |
| H15 | C32 | C33 | H17 | 179.9° | 180.0° |
| H15 | C32 | C33 | H18 | 59.9° | 59.9° |
| H16 | C33 | H17 | H18 | 120.0° | 120.0° |
| H19 | C20 | C21 | H20 | 63.7° | 180.0° |
| H19 | C20 | C21 | H21 | 176.3° | 60.1° |
| H19 | C20 | C21 | H22 | 56.3° | 60.0° |
| H19 | C20 | C17 | H23 | 178.5° | 176.3° |
| H20 | C21 | H21 | H22 | 120.0° | 120.0° |
| H23 | C17 | C16 | H33 | 153.1° | 4.2° |
| H23 | C17 | C16 | H34 | 32.1° | 125.8° |
| H24 | C18 | H25 | H26 | 120.0° | 120.0° |
| H27 | C12 | C11 | H29 | 72.5° | 58.0° |
| H27 | C12 | C11 | H30 | 46.5° | 60.9° |
| H28 | C12 | C11 | H29 | 46.1° | 178.9° |
| H28 | C12 | C11 | H30 | 165.1° | 60.0° |
| H29 | C11 | C9 | H31 | 49.6° | 48.3° |
| H29 | C11 | C9 | H32 | 70.5° | 167.7° |
| H30 | C11 | C9 | H31 | 168.7° | 70.6° |
| H30 | C11 | C9 | H32 | 48.6° | 48.8° |
| H33 | C16 | C15 | H35 | 1.2° | 23.2° |
| H33 | C16 | C15 | H36 | 120.5° | 146.7° |
| H34 | C16 | C15 | H35 | 122.2° | 98.3° |
| H34 | C16 | C15 | H36 | 0.6° | 25.1° |
| H35 | C15 | C14 | H37 | 154.5° | 42.9° |
| H36 | C15 | C14 | H37 | 32.9° | 166.4° |
| H38 | C7 | C6 | H39 | 173.5° | 174.5° |
| H40 | C10 | C1 | H48 | 144.2° | 49.4° |
| H41 | C10 | C1 | H48 | 26.1° | 70.9° |
| H42 | C4 | C3 | H44 | 71.0° | 49.3° |
| H43 | C4 | C3 | H44 | 48.2° | 169.7° |
| H44 | C3 | O1 | H45 | 58.4° | 59.7° |
| H48 | C1 | O2 | H49 | 60.4° | 60.4° |
