A1EL9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.41Å | 1.46Å | |
| C1 | C6 | doub | 1.36Å | 1.27Å | |
| C1 | C23 | sing | 1.51Å | 1.53Å | |
| C2 | C3 | sing | 1.41Å | 1.52Å | |
| C2 | C7 | doub | 1.40Å | 1.23Å | |
| C3 | C4 | doub | 1.36Å | 1.43Å | |
| C3 | C10 | sing | 1.51Å | 1.55Å | |
| C4 | C5 | sing | 1.41Å | 1.45Å | |
| C5 | C6 | sing | 1.41Å | 1.34Å | |
| C5 | O1 | doub | 1.22Å | 1.19Å | |
| C6 | O2 | sing | 1.36Å | 1.40Å | |
| C7 | C8 | sing | 1.40Å | 1.49Å | |
| C8 | C9 | doub | 1.34Å | 1.34Å | |
| C9 | C10 | sing | 1.50Å | 1.53Å | |
| C9 | C11 | sing | 1.52Å | 1.43Å | |
| C10 | C14 | sing | 1.52Å | 1.56Å | |
| C10 | C29 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.54Å | 1.56Å | |
| C11 | C15 | sing | 1.53Å | 1.66Å | |
| C11 | C30 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | C18 | sing | 1.51Å | 1.55Å | |
| C12 | C33 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.52Å | 1.62Å | |
| C15 | C16 | sing | 1.52Å | 1.50Å | |
| C16 | C17 | sing | 1.53Å | 1.48Å | |
| C17 | C18 | sing | 1.52Å | 1.50Å | |
| C17 | C19 | sing | 1.52Å | 1.59Å | |
| C17 | C31 | sing | 1.55Å | 1.54Å | |
| C18 | C22 | sing | 1.52Å | 1.56Å | |
| C19 | C20 | sing | 1.52Å | 1.57Å | |
| C20 | C21 | sing | 1.53Å | 1.58Å | |
| C21 | C22 | sing | 1.52Å | 1.54Å | |
| C21 | N1 | sing | 1.46Å | 1.45Å | |
| C21 | C32 | sing | 1.55Å | 1.49Å | |
| N1 | C24 | sing | 1.35Å | 1.46Å | |
| C24 | O3 | doub | 1.22Å | 1.19Å | |
| C24 | N2 | sing | 1.35Å | 1.45Å | |
| N2 | C25 | sing | 1.47Å | 1.45Å | |
| C25 | C26 | sing | 1.51Å | 1.51Å | |
| C25 | C27 | sing | 1.53Å | 1.52Å | |
| C26 | O4 | doub | 1.21Å | 1.26Å | |
| C26 | O5 | sing | 1.34Å | 1.25Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.10Å | |
| C13 | H6 | sing | 1.10Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.10Å | 1.10Å | |
| C15 | H9 | sing | 1.10Å | 1.10Å | |
| C15 | H10 | sing | 1.08Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.10Å | 1.10Å | |
| C18 | H1 | sing | 1.13Å | 1.10Å | |
| C19 | H13 | sing | 1.10Å | 1.10Å | |
| C19 | H14 | sing | 1.08Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.10Å | 1.10Å | |
| C22 | H18 | sing | 1.10Å | 1.10Å | |
| C22 | H17 | sing | 1.10Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C31 | H40 | sing | 1.09Å | 1.10Å | |
| C32 | H43 | sing | 1.09Å | 1.10Å | |
| C32 | H41 | sing | 1.09Å | 1.10Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| C33 | H44 | sing | 1.09Å | 1.10Å | |
| C33 | H46 | sing | 1.09Å | 1.10Å | |
| C33 | H45 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| N1 | H23 | sing | 0.97Å | 1.00Å | |
| N2 | H24 | sing | 0.97Å | 1.00Å | |
| O2 | H19 | sing | 0.97Å | 0.95Å | |
| O5 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 122.6° | 120.0° |
| C2 | C1 | C23 | 122.7° | 121.2° |
| C1 | C2 | C3 | 118.0° | 119.9° |
| C1 | C2 | C7 | 122.5° | 120.8° |
| C6 | C1 | C23 | 114.8° | 118.8° |
| C1 | C6 | C5 | 122.6° | 119.9° |
| C1 | C6 | O2 | 117.5° | 119.9° |
| C1 | C23 | H22 | 109.5° | 109.5° |
| C1 | C23 | H20 | 109.5° | 109.5° |
| C1 | C23 | H21 | 109.5° | 109.5° |
| C3 | C2 | C7 | 119.5° | 119.3° |
| C2 | C3 | C4 | 114.9° | 119.8° |
| C2 | C3 | C10 | 120.1° | 121.7° |
| C2 | C7 | C8 | 123.1° | 120.4° |
| C2 | C7 | H3 | 118.4° | 121.4° |
| C4 | C3 | C10 | 124.9° | 118.5° |
| C3 | C4 | C5 | 119.6° | 120.3° |
| C3 | C4 | H2 | 120.2° | 120.2° |
| C3 | C10 | C9 | 112.1° | 111.9° |
| C3 | C10 | C14 | 108.0° | 109.1° |
| C3 | C10 | C29 | 102.7° | 105.6° |
| C4 | C5 | C6 | 122.4° | 119.9° |
| C4 | C5 | O1 | 119.1° | 119.9° |
| C5 | C4 | H2 | 120.2° | 119.4° |
| C6 | C5 | O1 | 118.5° | 120.2° |
| C5 | C6 | O2 | 119.9° | 120.2° |
| C6 | O2 | H19 | 109.5° | 114.0° |
| C7 | C8 | C9 | 123.1° | 122.8° |
| C8 | C7 | H3 | 118.4° | 118.2° |
| C7 | C8 | H4 | 118.4° | 117.9° |
| C8 | C9 | C10 | 119.6° | 122.0° |
| C8 | C9 | C11 | 120.9° | 118.0° |
| C9 | C8 | H4 | 118.4° | 119.3° |
| C10 | C9 | C11 | 119.3° | 120.0° |
| C9 | C10 | C14 | 113.1° | 112.4° |
| C9 | C10 | C29 | 111.6° | 109.4° |
| C9 | C11 | C12 | 111.8° | 106.9° |
| C9 | C11 | C15 | 113.0° | 110.2° |
| C9 | C11 | C30 | 113.2° | 110.7° |
| C14 | C10 | C29 | 108.7° | 108.2° |
| C10 | C14 | C13 | 111.1° | 113.2° |
| C10 | C14 | H8 | 109.0° | 110.2° |
| C10 | C14 | H7 | 109.1° | 107.9° |
| C10 | C29 | H33 | 109.5° | 109.5° |
| C10 | C29 | H32 | 109.5° | 109.5° |
| C10 | C29 | H34 | 109.5° | 109.5° |
| C12 | C11 | C15 | 102.7° | 108.4° |
| C12 | C11 | C30 | 110.5° | 111.7° |
| C11 | C12 | C13 | 108.7° | 107.9° |
| C11 | C12 | C18 | 112.1° | 110.6° |
| C11 | C12 | C33 | 106.8° | 107.5° |
| C15 | C11 | C30 | 105.1° | 108.9° |
| C11 | C15 | C16 | 112.3° | 109.9° |
| C11 | C15 | H9 | 108.7° | 108.1° |
| C11 | C15 | H10 | 108.7° | 111.7° |
| C11 | C30 | H35 | 109.5° | 109.5° |
| C11 | C30 | H37 | 109.4° | 109.5° |
| C11 | C30 | H36 | 109.5° | 109.5° |
| C13 | C12 | C18 | 107.9° | 110.9° |
| C13 | C12 | C33 | 108.4° | 107.5° |
| C12 | C13 | C14 | 108.7° | 111.3° |
| C12 | C13 | H5 | 109.6° | 110.8° |
| C12 | C13 | H6 | 109.6° | 108.1° |
| C18 | C12 | C33 | 112.9° | 112.3° |
| C12 | C18 | C17 | 117.8° | 115.8° |
| C12 | C18 | C22 | 108.9° | 114.7° |
| C12 | C18 | H1 | 106.0° | 105.1° |
| C12 | C33 | H44 | 109.5° | 109.5° |
| C12 | C33 | H46 | 109.5° | 109.4° |
| C12 | C33 | H45 | 109.5° | 109.4° |
| C14 | C13 | H5 | 109.6° | 110.9° |
| C14 | C13 | H6 | 109.7° | 108.2° |
| C13 | C14 | H8 | 109.1° | 111.1° |
| C13 | C14 | H7 | 109.0° | 107.8° |
| C15 | C16 | C17 | 118.6° | 112.9° |
| C16 | C15 | H9 | 108.8° | 108.2° |
| C16 | C15 | H10 | 108.8° | 110.8° |
| C15 | C16 | H11 | 107.1° | 110.9° |
| C15 | C16 | H12 | 107.1° | 108.3° |
| C16 | C17 | C18 | 114.4° | 113.2° |
| C16 | C17 | C19 | 108.9° | 110.5° |
| C16 | C17 | C31 | 107.5° | 105.7° |
| C17 | C16 | H11 | 107.2° | 109.7° |
| C17 | C16 | H12 | 107.1° | 108.0° |
| C18 | C17 | C19 | 112.5° | 111.9° |
| C18 | C17 | C31 | 107.1° | 107.4° |
| C17 | C18 | C22 | 110.9° | 112.2° |
| C17 | C18 | H1 | 106.5° | 104.2° |
| C19 | C17 | C31 | 106.1° | 107.7° |
| C17 | C19 | C20 | 112.9° | 110.1° |
| C17 | C19 | H13 | 108.6° | 108.4° |
| C17 | C19 | H14 | 108.6° | 111.7° |
| C17 | C31 | H39 | 109.5° | 109.4° |
| C17 | C31 | H38 | 109.5° | 109.4° |
| C17 | C31 | H40 | 109.5° | 109.5° |
| C18 | C22 | C21 | 129.0° | 117.1° |
| C22 | C18 | H1 | 105.9° | 103.1° |
| C18 | C22 | H18 | 104.4° | 109.0° |
| C18 | C22 | H17 | 104.4° | 108.5° |
| C19 | C20 | C21 | 108.5° | 111.6° |
| C20 | C19 | H13 | 108.6° | 108.3° |
| C20 | C19 | H14 | 108.6° | 110.8° |
| C19 | C20 | H15 | 109.7° | 111.4° |
| C19 | C20 | H16 | 109.7° | 108.0° |
| C20 | C21 | C22 | 107.9° | 113.3° |
| C20 | C21 | N1 | 106.3° | 110.7° |
| C20 | C21 | C32 | 110.4° | 106.6° |
| C21 | C20 | H15 | 109.7° | 110.4° |
| C21 | C20 | H16 | 109.7° | 108.1° |
| C22 | C21 | N1 | 109.5° | 112.6° |
| C22 | C21 | C32 | 112.3° | 106.9° |
| C21 | C22 | H18 | 104.4° | 108.3° |
| C21 | C22 | H17 | 104.4° | 108.3° |
| N1 | C21 | C32 | 110.3° | 106.3° |
| C21 | N1 | C24 | 124.7° | 120.0° |
| C21 | N1 | H23 | 117.7° | 120.0° |
| C21 | C32 | H43 | 109.5° | 109.5° |
| C21 | C32 | H41 | 109.4° | 109.5° |
| C21 | C32 | H42 | 109.4° | 109.5° |
| N1 | C24 | O3 | 124.3° | 120.0° |
| N1 | C24 | N2 | 116.1° | 120.0° |
| C24 | N1 | H23 | 117.6° | 120.0° |
| O3 | C24 | N2 | 119.6° | 120.0° |
| C24 | N2 | C25 | 117.7° | 120.0° |
| C24 | N2 | H24 | 121.2° | 120.0° |
| N2 | C25 | C26 | 106.9° | 109.5° |
| N2 | C25 | C27 | 108.4° | 109.4° |
| N2 | C25 | H25 | 111.6° | 109.4° |
| C25 | N2 | H24 | 121.1° | 119.9° |
| C26 | C25 | C27 | 108.7° | 109.5° |
| C25 | C26 | O4 | 120.8° | 120.0° |
| C25 | C26 | O5 | 118.1° | 120.0° |
| C26 | C25 | H25 | 110.6° | 109.5° |
| C25 | C27 | C28 | 109.3° | 109.5° |
| C27 | C25 | H25 | 110.5° | 109.5° |
| C25 | C27 | H27 | 109.5° | 109.5° |
| C25 | C27 | H26 | 109.5° | 109.5° |
| O4 | C26 | O5 | 121.1° | 120.0° |
| C26 | O5 | H28 | 109.5° | 117.1° |
| C28 | C27 | H27 | 109.5° | 109.5° |
| C28 | C27 | H26 | 109.5° | 109.4° |
| C27 | C28 | H31 | 109.5° | 109.5° |
| C27 | C28 | H30 | 109.5° | 109.5° |
| C27 | C28 | H29 | 109.5° | 109.4° |
| H5 | C13 | H6 | 109.5° | 107.5° |
| H8 | C14 | H7 | 109.5° | 106.3° |
| H9 | C15 | H10 | 109.5° | 108.0° |
| H11 | C16 | H12 | 109.5° | 106.7° |
| H13 | C19 | H14 | 109.5° | 107.4° |
| H15 | C20 | H16 | 109.5° | 107.0° |
| H18 | C22 | H17 | 109.5° | 105.1° |
| H22 | C23 | H20 | 109.5° | 109.5° |
| H22 | C23 | H21 | 109.4° | 109.5° |
| H20 | C23 | H21 | 109.5° | 109.5° |
| H27 | C27 | H26 | 109.4° | 109.5° |
| H31 | C28 | H30 | 109.5° | 109.5° |
| H31 | C28 | H29 | 109.5° | 109.5° |
| H30 | C28 | H29 | 109.5° | 109.5° |
| H33 | C29 | H32 | 109.4° | 109.5° |
| H33 | C29 | H34 | 109.4° | 109.4° |
| H32 | C29 | H34 | 109.5° | 109.5° |
| H35 | C30 | H37 | 109.5° | 109.5° |
| H35 | C30 | H36 | 109.5° | 109.5° |
| H37 | C30 | H36 | 109.5° | 109.5° |
| H39 | C31 | H38 | 109.5° | 109.4° |
| H39 | C31 | H40 | 109.4° | 109.5° |
| H38 | C31 | H40 | 109.5° | 109.5° |
| H43 | C32 | H41 | 109.5° | 109.4° |
| H43 | C32 | H42 | 109.5° | 109.4° |
| H41 | C32 | H42 | 109.5° | 109.5° |
| H44 | C33 | H46 | 109.5° | 109.5° |
| H44 | C33 | H45 | 109.4° | 109.5° |
| H46 | C33 | H45 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C23 | 179.8° | 179.8° |
| C1 | C2 | C3 | C7 | 178.8° | 179.9° |
| C1 | C2 | C3 | C4 | 1.0° | 4.3° |
| C1 | C2 | C3 | C10 | 178.5° | 173.8° |
| C2 | C1 | C6 | C5 | 0.2° | 0.3° |
| C2 | C1 | C6 | O2 | 179.8° | 179.5° |
| C1 | C2 | C7 | C8 | 168.4° | 175.0° |
| C1 | C2 | C7 | H3 | 11.6° | 4.5° |
| C2 | C1 | C23 | H22 | 180.0° | 90.0° |
| C2 | C1 | C23 | H20 | 60.0° | 150.0° |
| C2 | C1 | C23 | H21 | 60.0° | 30.0° |
| C6 | C1 | C2 | C3 | 0.4° | 3.6° |
| C6 | C1 | C2 | C7 | 179.2° | 176.5° |
| C1 | C6 | C5 | C4 | 0.1° | 2.5° |
| C1 | C6 | C5 | O2 | 179.5° | 179.7° |
| C1 | C6 | C5 | O1 | 179.9° | 178.2° |
| C6 | C1 | C23 | H22 | 0.2° | 90.2° |
| C6 | C1 | C23 | H20 | 120.2° | 29.8° |
| C6 | C1 | C23 | H21 | 119.8° | 149.8° |
| C1 | C6 | O2 | H19 | 179.7° | 180.0° |
| C23 | C1 | C2 | C3 | 179.8° | 176.6° |
| C23 | C1 | C2 | C7 | 1.0° | 3.2° |
| C23 | C1 | C6 | C5 | 179.6° | 180.0° |
| C23 | C1 | C6 | O2 | 0.1° | 0.3° |
| C1 | C23 | H22 | H20 | 120.0° | 120.0° |
| C1 | C23 | H22 | H21 | 120.0° | 120.0° |
| C1 | C23 | H20 | H21 | 120.0° | 120.0° |
| C2 | C3 | C4 | C10 | 177.3° | 178.1° |
| C2 | C3 | C4 | C5 | 1.1° | 1.6° |
| C3 | C2 | C7 | C8 | 10.4° | 5.1° |
| C2 | C3 | C10 | C9 | 13.9° | 14.7° |
| C2 | C3 | C10 | C14 | 139.1° | 139.8° |
| C2 | C3 | C10 | C29 | 106.1° | 104.2° |
| C3 | C2 | C7 | H3 | 169.6° | 175.4° |
| C2 | C3 | C4 | H2 | 178.8° | 178.2° |
| C7 | C2 | C3 | C4 | 179.9° | 175.9° |
| C7 | C2 | C3 | C10 | 2.7° | 6.1° |
| C2 | C7 | C8 | H3 | 180.0° | 179.5° |
| C2 | C7 | C8 | C9 | 11.5° | 6.4° |
| C2 | C7 | C8 | H4 | 168.5° | 173.9° |
| C3 | C4 | C5 | H2 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 0.6° | 1.8° |
| C3 | C4 | C5 | O1 | 179.3° | 178.8° |
| C4 | C3 | C10 | C9 | 168.9° | 167.2° |
| C4 | C3 | C10 | C14 | 43.7° | 42.2° |
| C4 | C3 | C10 | C29 | 71.1° | 73.9° |
| C10 | C3 | C4 | C5 | 178.5° | 176.5° |
| C3 | C10 | C9 | C8 | 13.0° | 13.7° |
| C3 | C10 | C9 | C14 | 122.4° | 123.2° |
| C3 | C10 | C9 | C29 | 114.6° | 116.6° |
| C3 | C10 | C9 | C11 | 162.3° | 163.8° |
| C3 | C10 | C14 | C29 | 110.8° | 114.4° |
| C3 | C10 | C14 | C13 | 165.2° | 164.1° |
| C3 | C10 | C14 | H8 | 45.0° | 39.0° |
| C3 | C10 | C14 | H7 | 74.5° | 76.7° |
| C3 | C10 | C29 | H33 | 180.0° | 50.4° |
| C3 | C10 | C29 | H32 | 60.0° | 69.6° |
| C3 | C10 | C29 | H34 | 60.0° | 170.3° |
| C10 | C3 | C4 | H2 | 1.5° | 3.7° |
| C4 | C5 | C6 | O1 | 180.0° | 179.4° |
| C4 | C5 | C6 | O2 | 179.7° | 177.8° |
| C6 | C5 | C4 | H2 | 179.4° | 178.4° |
| C5 | C6 | O2 | H19 | 0.2° | 0.3° |
| O1 | C5 | C6 | O2 | 0.4° | 1.6° |
| O1 | C5 | C4 | H2 | 0.7° | 0.9° |
| C7 | C8 | C9 | H4 | 180.0° | 179.7° |
| C7 | C8 | C9 | C10 | 1.9° | 3.9° |
| C7 | C8 | C9 | C11 | 173.4° | 173.6° |
| C8 | C9 | C10 | C11 | 175.3° | 177.5° |
| C8 | C9 | C10 | C14 | 135.4° | 136.9° |
| C8 | C9 | C10 | C29 | 101.6° | 102.9° |
| C8 | C9 | C11 | C12 | 126.4° | 126.2° |
| C8 | C9 | C11 | C15 | 11.2° | 8.5° |
| C8 | C9 | C11 | C30 | 108.1° | 111.9° |
| C9 | C8 | C7 | H3 | 168.5° | 174.1° |
| C9 | C10 | C14 | C29 | 124.6° | 120.8° |
| C10 | C9 | C11 | C12 | 48.9° | 51.4° |
| C10 | C9 | C11 | C15 | 164.1° | 169.0° |
| C10 | C9 | C11 | C30 | 76.6° | 70.5° |
| C9 | C10 | C14 | C13 | 40.6° | 39.3° |
| C9 | C10 | C14 | H8 | 79.7° | 85.8° |
| C9 | C10 | C14 | H7 | 160.8° | 158.5° |
| C9 | C10 | C29 | H33 | 59.8° | 171.0° |
| C9 | C10 | C29 | H32 | 179.7° | 51.0° |
| C9 | C10 | C29 | H34 | 60.2° | 69.1° |
| C10 | C9 | C8 | H4 | 178.2° | 175.7° |
| C11 | C9 | C10 | C14 | 39.9° | 40.6° |
| C11 | C9 | C10 | C29 | 83.1° | 79.6° |
| C9 | C11 | C12 | C15 | 121.4° | 118.8° |
| C9 | C11 | C12 | C30 | 127.0° | 121.2° |
| C9 | C11 | C15 | C30 | 123.8° | 121.6° |
| C9 | C11 | C12 | C13 | 60.6° | 60.4° |
| C9 | C11 | C12 | C18 | 179.7° | 178.2° |
| C9 | C11 | C12 | C33 | 56.1° | 55.3° |
| C9 | C11 | C15 | C16 | 179.7° | 179.9° |
| C9 | C11 | C15 | H9 | 59.9° | 62.3° |
| C9 | C11 | C15 | H10 | 59.3° | 56.4° |
| C9 | C11 | C30 | H35 | 180.0° | 65.7° |
| C9 | C11 | C30 | H37 | 60.0° | 54.3° |
| C9 | C11 | C30 | H36 | 60.0° | 174.3° |
| C11 | C9 | C8 | H4 | 6.6° | 6.7° |
| C10 | C14 | C13 | C12 | 54.5° | 53.6° |
| C10 | C14 | C13 | H8 | 120.2° | 124.7° |
| C10 | C14 | C13 | H7 | 120.2° | 119.3° |
| C10 | C14 | C13 | H5 | 65.3° | 70.2° |
| C10 | C14 | C13 | H6 | 174.4° | 172.2° |
| C10 | C14 | H8 | H7 | 119.2° | 116.6° |
| C14 | C10 | C29 | H33 | 65.7° | 66.3° |
| C14 | C10 | C29 | H32 | 54.3° | 173.7° |
| C14 | C10 | C29 | H34 | 174.3° | 53.6° |
| C29 | C10 | C14 | C13 | 84.0° | 81.6° |
| C29 | C10 | C14 | H8 | 155.7° | 153.3° |
| C29 | C10 | C14 | H7 | 36.2° | 37.7° |
| C10 | C29 | H33 | H32 | 120.0° | 120.0° |
| C10 | C29 | H33 | H34 | 120.0° | 120.0° |
| C10 | C29 | H32 | H34 | 120.0° | 120.0° |
| C12 | C11 | C15 | C30 | 115.6° | 121.7° |
| C11 | C12 | C13 | C18 | 121.8° | 121.2° |
| C11 | C12 | C13 | C33 | 115.7° | 115.7° |
| C11 | C12 | C18 | C33 | 120.7° | 120.1° |
| C11 | C12 | C13 | C14 | 63.1° | 64.9° |
| C12 | C11 | C15 | C16 | 59.1° | 63.2° |
| C11 | C12 | C18 | C17 | 51.0° | 49.9° |
| C11 | C12 | C18 | C22 | 178.3° | 176.9° |
| C11 | C12 | C13 | H5 | 56.8° | 59.0° |
| C11 | C12 | C13 | H6 | 177.1° | 176.5° |
| C12 | C11 | C15 | H9 | 179.5° | 178.9° |
| C12 | C11 | C15 | H10 | 61.3° | 60.2° |
| C11 | C12 | C18 | H1 | 68.1° | 64.5° |
| C12 | C11 | C30 | H35 | 53.7° | 53.3° |
| C12 | C11 | C30 | H37 | 66.2° | 173.3° |
| C12 | C11 | C30 | H36 | 173.8° | 66.7° |
| C11 | C12 | C33 | H44 | 180.0° | 37.6° |
| C11 | C12 | C33 | H46 | 60.0° | 157.6° |
| C11 | C12 | C33 | H45 | 60.0° | 82.4° |
| C15 | C11 | C12 | C13 | 178.0° | 179.2° |
| C15 | C11 | C12 | C18 | 58.9° | 59.4° |
| C15 | C11 | C12 | C33 | 65.2° | 63.5° |
| C11 | C15 | C16 | H9 | 120.4° | 117.8° |
| C11 | C15 | C16 | H10 | 120.4° | 123.9° |
| C11 | C15 | C16 | C17 | 49.3° | 56.3° |
| C11 | C15 | H9 | H10 | 118.7° | 121.0° |
| C11 | C15 | C16 | H11 | 72.0° | 67.3° |
| C11 | C15 | C16 | H12 | 170.6° | 175.9° |
| C15 | C11 | C30 | H35 | 56.3° | 173.0° |
| C15 | C11 | C30 | H37 | 176.3° | 67.0° |
| C15 | C11 | C30 | H36 | 63.7° | 53.0° |
| C30 | C11 | C12 | C13 | 66.4° | 60.8° |
| C30 | C11 | C12 | C18 | 52.7° | 60.6° |
| C30 | C11 | C12 | C33 | 176.9° | 176.5° |
| C30 | C11 | C15 | C16 | 56.5° | 58.6° |
| C30 | C11 | C15 | H9 | 64.0° | 59.3° |
| C30 | C11 | C15 | H10 | 176.9° | 178.0° |
| C11 | C30 | H35 | H37 | 120.0° | 120.0° |
| C11 | C30 | H35 | H36 | 120.0° | 120.0° |
| C11 | C30 | H37 | H36 | 120.0° | 120.0° |
| C13 | C12 | C18 | C33 | 119.7° | 120.3° |
| C12 | C13 | C14 | H5 | 119.8° | 123.8° |
| C12 | C13 | C14 | H6 | 119.9° | 118.6° |
| C13 | C12 | C18 | C17 | 170.6° | 169.5° |
| C13 | C12 | C18 | C22 | 62.0° | 57.2° |
| C12 | C13 | H5 | H6 | 120.3° | 117.8° |
| C12 | C13 | C14 | H8 | 65.7° | 71.1° |
| C12 | C13 | C14 | H7 | 174.8° | 172.9° |
| C13 | C12 | C18 | H1 | 51.5° | 55.2° |
| C13 | C12 | C33 | H44 | 63.1° | 78.4° |
| C13 | C12 | C33 | H46 | 176.9° | 41.6° |
| C13 | C12 | C33 | H45 | 56.9° | 161.6° |
| C18 | C12 | C13 | C14 | 175.2° | 173.9° |
| C12 | C18 | C17 | C16 | 34.0° | 42.2° |
| C12 | C18 | C17 | C22 | 126.4° | 134.4° |
| C12 | C18 | C17 | H1 | 118.8° | 114.8° |
| C12 | C18 | C17 | C19 | 90.8° | 83.5° |
| C12 | C18 | C17 | C31 | 153.0° | 158.5° |
| C12 | C18 | C22 | H1 | 113.6° | 113.6° |
| C12 | C18 | C22 | C21 | 105.1° | 92.9° |
| C18 | C12 | C13 | H5 | 65.0° | 62.3° |
| C18 | C12 | C13 | H6 | 55.3° | 55.2° |
| C12 | C18 | C22 | H18 | 17.4° | 30.3° |
| C12 | C18 | C22 | H17 | 132.3° | 144.2° |
| C18 | C12 | C33 | H44 | 56.4° | 159.4° |
| C18 | C12 | C33 | H46 | 63.6° | 80.6° |
| C18 | C12 | C33 | H45 | 176.3° | 39.4° |
| C33 | C12 | C13 | C14 | 52.7° | 50.8° |
| C33 | C12 | C18 | C17 | 69.7° | 70.2° |
| C33 | C12 | C18 | C22 | 57.7° | 63.0° |
| C33 | C12 | C13 | H5 | 172.5° | 174.7° |
| C33 | C12 | C13 | H6 | 67.2° | 67.8° |
| C33 | C12 | C18 | H1 | 171.2° | 175.5° |
| C12 | C33 | H44 | H46 | 120.0° | 120.0° |
| C12 | C33 | H44 | H45 | 120.0° | 120.0° |
| C12 | C33 | H46 | H45 | 120.0° | 119.9° |
| C14 | C13 | H5 | H6 | 120.4° | 118.0° |
| C13 | C14 | H8 | H7 | 119.2° | 117.0° |
| C15 | C16 | C17 | H11 | 121.3° | 124.3° |
| C15 | C16 | C17 | H12 | 121.3° | 119.7° |
| C15 | C16 | C17 | C18 | 34.4° | 44.8° |
| C15 | C16 | C17 | C19 | 92.4° | 81.6° |
| C15 | C16 | C17 | C31 | 153.1° | 162.1° |
| C16 | C15 | H9 | H10 | 118.7° | 120.0° |
| C15 | C16 | H11 | H12 | 115.9° | 117.8° |
| C16 | C17 | C18 | C19 | 124.9° | 125.7° |
| C16 | C17 | C18 | C31 | 119.0° | 116.3° |
| C16 | C17 | C19 | C31 | 115.4° | 115.0° |
| C16 | C17 | C18 | C22 | 160.4° | 176.6° |
| C16 | C17 | C19 | C20 | 172.6° | 173.0° |
| C17 | C16 | C15 | H9 | 169.7° | 174.1° |
| C17 | C16 | C15 | H10 | 71.1° | 67.6° |
| C17 | C16 | H11 | H12 | 115.9° | 116.8° |
| C16 | C17 | C18 | H1 | 84.7° | 72.6° |
| C16 | C17 | C19 | H13 | 52.1° | 54.6° |
| C16 | C17 | C19 | H14 | 66.9° | 63.6° |
| C16 | C17 | C31 | H39 | 180.0° | 60.1° |
| C16 | C17 | C31 | H38 | 60.0° | 180.0° |
| C16 | C17 | C31 | H40 | 60.0° | 60.0° |
| C18 | C17 | C19 | C31 | 116.8° | 117.8° |
| C17 | C18 | C22 | H1 | 115.2° | 111.5° |
| C18 | C17 | C19 | C20 | 59.5° | 59.9° |
| C17 | C18 | C22 | C21 | 26.1° | 42.0° |
| C18 | C17 | C16 | H11 | 86.9° | 79.5° |
| C18 | C17 | C16 | H12 | 155.7° | 164.5° |
| C18 | C17 | C19 | H13 | 179.9° | 178.2° |
| C18 | C17 | C19 | H14 | 61.0° | 63.6° |
| C17 | C18 | C22 | H18 | 148.6° | 165.2° |
| C17 | C18 | C22 | H17 | 96.4° | 80.9° |
| C18 | C17 | C31 | H39 | 56.7° | 178.8° |
| C18 | C17 | C31 | H38 | 63.4° | 58.9° |
| C18 | C17 | C31 | H40 | 176.6° | 61.1° |
| C19 | C17 | C18 | C22 | 35.6° | 50.9° |
| C17 | C19 | C20 | H13 | 120.5° | 118.4° |
| C17 | C19 | C20 | H14 | 120.5° | 124.0° |
| C17 | C19 | C20 | C21 | 65.0° | 58.2° |
| C19 | C17 | C16 | H11 | 146.3° | 154.1° |
| C19 | C17 | C16 | H12 | 28.9° | 38.1° |
| C19 | C17 | C18 | H1 | 150.4° | 161.7° |
| C17 | C19 | H13 | H14 | 118.4° | 120.8° |
| C17 | C19 | C20 | H15 | 54.9° | 65.8° |
| C17 | C19 | C20 | H16 | 175.2° | 176.9° |
| C19 | C17 | C31 | H39 | 63.6° | 58.1° |
| C19 | C17 | C31 | H38 | 176.3° | 61.8° |
| C19 | C17 | C31 | H40 | 56.3° | 178.2° |
| C31 | C17 | C18 | C22 | 80.6° | 67.1° |
| C31 | C17 | C19 | C20 | 57.2° | 57.9° |
| C31 | C17 | C16 | H11 | 31.8° | 37.8° |
| C31 | C17 | C16 | H12 | 85.6° | 78.2° |
| C31 | C17 | C18 | H1 | 34.2° | 43.7° |
| C31 | C17 | C19 | H13 | 63.3° | 60.4° |
| C31 | C17 | C19 | H14 | 177.8° | 178.6° |
| C17 | C31 | H39 | H38 | 120.0° | 119.9° |
| C17 | C31 | H39 | H40 | 120.0° | 120.1° |
| C17 | C31 | H38 | H40 | 120.0° | 120.0° |
| C18 | C22 | C21 | C20 | 31.9° | 41.1° |
| C18 | C22 | C21 | H18 | 122.5° | 123.6° |
| C18 | C22 | C21 | H17 | 122.6° | 122.9° |
| C18 | C22 | C21 | N1 | 83.4° | 85.5° |
| C18 | C22 | C21 | C32 | 153.8° | 158.1° |
| C18 | C22 | H18 | H17 | 111.3° | 116.1° |
| C19 | C20 | C21 | H15 | 119.8° | 124.6° |
| C19 | C20 | C21 | H16 | 119.8° | 118.6° |
| C19 | C20 | C21 | C22 | 46.9° | 48.5° |
| C19 | C20 | C21 | N1 | 70.4° | 79.1° |
| C19 | C20 | C21 | C32 | 170.0° | 165.8° |
| C20 | C19 | H13 | H14 | 118.5° | 119.7° |
| C19 | C20 | H15 | H16 | 120.5° | 117.9° |
| C20 | C21 | C22 | N1 | 115.3° | 126.6° |
| C20 | C21 | C22 | C32 | 121.9° | 117.0° |
| C20 | C21 | N1 | C32 | 119.7° | 115.3° |
| C20 | C21 | N1 | C24 | 179.4° | 53.9° |
| C21 | C20 | C19 | H13 | 174.5° | 176.6° |
| C21 | C20 | C19 | H14 | 55.6° | 65.8° |
| C21 | C20 | H15 | H16 | 120.5° | 117.4° |
| C20 | C21 | C22 | H18 | 154.5° | 164.7° |
| C20 | C21 | C22 | H17 | 90.6° | 81.9° |
| C20 | C21 | C32 | H43 | 180.0° | 60.0° |
| C20 | C21 | C32 | H41 | 60.0° | 180.0° |
| C20 | C21 | C32 | H42 | 60.0° | 60.0° |
| C20 | C21 | N1 | H23 | 0.6° | 126.1° |
| C22 | C21 | N1 | C32 | 124.0° | 116.7° |
| C22 | C21 | N1 | C24 | 63.0° | 178.1° |
| C21 | C22 | C18 | H1 | 141.3° | 153.5° |
| C22 | C21 | C20 | H15 | 72.9° | 76.0° |
| C22 | C21 | C20 | H16 | 166.8° | 167.2° |
| C21 | C22 | H18 | H17 | 111.3° | 115.6° |
| C22 | C21 | C32 | H43 | 59.6° | 178.6° |
| C22 | C21 | C32 | H41 | 60.5° | 58.6° |
| C22 | C21 | C32 | H42 | 179.5° | 61.4° |
| C22 | C21 | N1 | H23 | 117.0° | 1.9° |
| C21 | N1 | C24 | H23 | 180.0° | 180.0° |
| C21 | N1 | C24 | O3 | 0.2° | 0.0° |
| C21 | N1 | C24 | N2 | 179.5° | 180.0° |
| N1 | C21 | C20 | H15 | 169.7° | 156.4° |
| N1 | C21 | C20 | H16 | 49.4° | 39.6° |
| N1 | C21 | C22 | H18 | 39.2° | 38.1° |
| N1 | C21 | C22 | H17 | 154.1° | 151.5° |
| N1 | C21 | C32 | H43 | 62.8° | 58.1° |
| N1 | C21 | C32 | H41 | 177.2° | 61.9° |
| N1 | C21 | C32 | H42 | 57.2° | 178.1° |
| C32 | C21 | N1 | C24 | 61.0° | 61.4° |
| C32 | C21 | C20 | H15 | 50.1° | 41.2° |
| C32 | C21 | C20 | H16 | 70.2° | 75.6° |
| C32 | C21 | C22 | H18 | 83.7° | 78.3° |
| C32 | C21 | C22 | H17 | 31.2° | 35.2° |
| C21 | C32 | H43 | H41 | 120.0° | 120.0° |
| C21 | C32 | H43 | H42 | 120.0° | 120.0° |
| C21 | C32 | H41 | H42 | 120.0° | 120.0° |
| C32 | C21 | N1 | H23 | 119.0° | 118.6° |
| N1 | C24 | O3 | N2 | 179.6° | 179.9° |
| N1 | C24 | N2 | C25 | 179.4° | 180.0° |
| N1 | C24 | N2 | H24 | 0.6° | 0.1° |
| O3 | C24 | N2 | C25 | 0.9° | 0.1° |
| O3 | C24 | N1 | H23 | 179.8° | 180.0° |
| O3 | C24 | N2 | H24 | 179.1° | 180.0° |
| C24 | N2 | C25 | H24 | 180.0° | 179.9° |
| C24 | N2 | C25 | C26 | 166.9° | 155.0° |
| C24 | N2 | C25 | C27 | 76.0° | 85.0° |
| C24 | N2 | C25 | H25 | 45.9° | 35.0° |
| N2 | C24 | N1 | H23 | 0.5° | 0.0° |
| N2 | C25 | C26 | C27 | 116.9° | 120.0° |
| N2 | C25 | C26 | H25 | 121.7° | 120.0° |
| N2 | C25 | C27 | H25 | 122.6° | 119.9° |
| N2 | C25 | C26 | O4 | 20.0° | 0.0° |
| N2 | C25 | C26 | O5 | 159.2° | 180.0° |
| N2 | C25 | C27 | C28 | 54.2° | 65.0° |
| N2 | C25 | C27 | H27 | 174.2° | 55.1° |
| N2 | C25 | C27 | H26 | 65.8° | 175.0° |
| C26 | C25 | C27 | H25 | 121.5° | 120.0° |
| C25 | C26 | O4 | O5 | 179.2° | 180.0° |
| C26 | C25 | C27 | C28 | 61.7° | 175.0° |
| C26 | C25 | C27 | H27 | 58.3° | 65.0° |
| C26 | C25 | C27 | H26 | 178.3° | 55.0° |
| C26 | C25 | N2 | H24 | 13.1° | 25.1° |
| C25 | C26 | O5 | H28 | 179.2° | 180.0° |
| C27 | C25 | C26 | O4 | 136.9° | 120.0° |
| C27 | C25 | C26 | O5 | 42.3° | 60.0° |
| C25 | C27 | C28 | H27 | 120.0° | 120.0° |
| C25 | C27 | C28 | H26 | 120.0° | 120.0° |
| C25 | C27 | H27 | H26 | 120.1° | 120.0° |
| C25 | C27 | C28 | H31 | 180.0° | 180.0° |
| C25 | C27 | C28 | H30 | 60.0° | 60.0° |
| C25 | C27 | C28 | H29 | 60.0° | 60.0° |
| C27 | C25 | N2 | H24 | 104.0° | 95.0° |
| O4 | C26 | C25 | H25 | 101.6° | 120.0° |
| O4 | C26 | O5 | H28 | 0.0° | 0.0° |
| O5 | C26 | C25 | H25 | 79.1° | 60.0° |
| C28 | C27 | C25 | H25 | 176.8° | 54.9° |
| C28 | C27 | H27 | H26 | 120.1° | 120.0° |
| C27 | C28 | H31 | H30 | 120.0° | 120.0° |
| C27 | C28 | H31 | H29 | 120.0° | 119.9° |
| C27 | C28 | H30 | H29 | 120.0° | 120.0° |
| H3 | C7 | C8 | H4 | 11.5° | 5.6° |
| H5 | C13 | C14 | H8 | 174.5° | 165.1° |
| H5 | C13 | C14 | H7 | 54.9° | 49.1° |
| H6 | C13 | C14 | H8 | 54.2° | 47.5° |
| H6 | C13 | C14 | H7 | 65.4° | 68.6° |
| H9 | C15 | C16 | H11 | 48.4° | 50.5° |
| H9 | C15 | C16 | H12 | 69.0° | 66.3° |
| H10 | C15 | C16 | H11 | 167.6° | 168.8° |
| H10 | C15 | C16 | H12 | 50.2° | 52.0° |
| H1 | C18 | C22 | H18 | 96.2° | 83.3° |
| H1 | C18 | C22 | H17 | 18.7° | 30.6° |
| H13 | C19 | C20 | H15 | 65.6° | 52.6° |
| H13 | C19 | C20 | H16 | 54.7° | 64.7° |
| H14 | C19 | C20 | H15 | 175.4° | 170.2° |
| H14 | C19 | C20 | H16 | 64.3° | 52.9° |
| H22 | C23 | H20 | H21 | 120.0° | 120.0° |
| H25 | C25 | C27 | H27 | 63.2° | 175.0° |
| H25 | C25 | C27 | H26 | 56.8° | 65.0° |
| H25 | C25 | N2 | H24 | 134.1° | 145.1° |
| H27 | C27 | C28 | H31 | 60.0° | 59.9° |
| H27 | C27 | C28 | H30 | 180.0° | 180.0° |
| H27 | C27 | C28 | H29 | 60.0° | 60.0° |
| H26 | C27 | C28 | H31 | 60.0° | 60.1° |
| H26 | C27 | C28 | H30 | 60.0° | 60.0° |
| H26 | C27 | C28 | H29 | 180.0° | 180.0° |
| H31 | C28 | H30 | H29 | 120.0° | 120.0° |
| H33 | C29 | H32 | H34 | 119.9° | 120.0° |
| H35 | C30 | H37 | H36 | 120.0° | 120.0° |
| H39 | C31 | H38 | H40 | 119.9° | 120.1° |
| H43 | C32 | H41 | H42 | 120.0° | 119.9° |
| H44 | C33 | H46 | H45 | 120.0° | 120.1° |
