A1DD0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C27 | sing | 1.58Å | 1.54Å | |
| C32 | C27 | sing | 1.58Å | 1.53Å | |
| C27 | C28 | sing | 1.56Å | 1.54Å | |
| C27 | C22 | sing | 1.56Å | 1.55Å | |
| C22 | C19 | sing | 1.44Å | 1.43Å | Aromatic |
| C22 | C23 | doub | 1.40Å | 1.38Å | Aromatic |
| C26 | C24 | sing | 1.56Å | 1.55Å | |
| C19 | C20 | doub | 1.42Å | 1.40Å | Aromatic |
| C30 | C24 | sing | 1.58Å | 1.55Å | |
| C23 | C17 | sing | 1.40Å | 1.42Å | Aromatic |
| C20 | C24 | sing | 1.56Å | 1.56Å | |
| C20 | C21 | sing | 1.41Å | 1.44Å | Aromatic |
| C24 | C31 | sing | 1.57Å | 1.55Å | |
| C17 | C21 | doub | 1.39Å | 1.44Å | Aromatic |
| C17 | C18 | sing | 1.45Å | 1.43Å | |
| C21 | O2 | sing | 1.27Å | 1.31Å | |
| C18 | N2 | doub | 1.25Å | 1.30Å | |
| O2 | CO1 | sing | 1.95Å | 1.90Å | |
| C15 | C8 | sing | 1.56Å | 1.55Å | |
| N2 | CO1 | sing | 1.97Å | 1.91Å | |
| N2 | C25 | sing | 1.45Å | 1.46Å | |
| CO1 | O1 | sing | 1.96Å | 1.90Å | |
| CO1 | N1 | sing | 1.97Å | 1.91Å | |
| C14 | C8 | sing | 1.58Å | 1.55Å | |
| C25 | C9 | sing | 1.52Å | 1.53Å | |
| C8 | C10 | sing | 1.57Å | 1.55Å | |
| C8 | C4 | sing | 1.56Å | 1.55Å | |
| O1 | C5 | sing | 1.27Å | 1.32Å | |
| C4 | C5 | sing | 1.41Å | 1.44Å | Aromatic |
| C4 | C3 | doub | 1.42Å | 1.40Å | Aromatic |
| C5 | C1 | doub | 1.38Å | 1.43Å | Aromatic |
| C9 | N1 | sing | 1.45Å | 1.46Å | |
| N1 | C2 | doub | 1.24Å | 1.30Å | |
| C3 | C6 | sing | 1.45Å | 1.43Å | Aromatic |
| C1 | C2 | sing | 1.45Å | 1.43Å | |
| C1 | C7 | sing | 1.40Å | 1.42Å | Aromatic |
| C6 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | C11 | sing | 1.56Å | 1.55Å | |
| C16 | C11 | sing | 1.58Å | 1.53Å | |
| C11 | C13 | sing | 1.58Å | 1.54Å | |
| C11 | C12 | sing | 1.56Å | 1.54Å | |
| C7 | H3 | sing | 0.94Å | 1.08Å | |
| C10 | H7 | sing | 0.97Å | 1.10Å | |
| C10 | H8 | sing | 0.97Å | 1.10Å | |
| C10 | H6 | sing | 0.97Å | 1.10Å | |
| C13 | H13 | sing | 0.97Å | 1.10Å | |
| C13 | H14 | sing | 0.97Å | 1.10Å | |
| C13 | H12 | sing | 0.98Å | 1.10Å | |
| C15 | H19 | sing | 0.97Å | 1.10Å | |
| C15 | H20 | sing | 0.97Å | 1.10Å | |
| C15 | H18 | sing | 0.98Å | 1.10Å | |
| C26 | H29 | sing | 0.98Å | 1.10Å | |
| C26 | H30 | sing | 0.97Å | 1.10Å | |
| C26 | H31 | sing | 0.97Å | 1.10Å | |
| C28 | H34 | sing | 0.97Å | 1.10Å | |
| C28 | H32 | sing | 0.97Å | 1.10Å | |
| C28 | H33 | sing | 0.97Å | 1.10Å | |
| C12 | H9 | sing | 0.97Å | 1.10Å | |
| C12 | H10 | sing | 0.97Å | 1.10Å | |
| C12 | H11 | sing | 0.97Å | 1.10Å | |
| C14 | H16 | sing | 0.97Å | 1.10Å | |
| C14 | H17 | sing | 0.97Å | 1.10Å | |
| C14 | H15 | sing | 0.98Å | 1.10Å | |
| C16 | H22 | sing | 0.98Å | 1.10Å | |
| C16 | H23 | sing | 0.97Å | 1.10Å | |
| C16 | H21 | sing | 0.97Å | 1.10Å | |
| C18 | H24 | sing | 0.95Å | 1.08Å | |
| C19 | H25 | sing | 0.94Å | 1.08Å | |
| C2 | H1 | sing | 0.95Å | 1.08Å | |
| C23 | H26 | sing | 0.94Å | 1.08Å | |
| C25 | H27 | sing | 0.98Å | 1.10Å | |
| C25 | H28 | sing | 0.98Å | 1.10Å | |
| C29 | H37 | sing | 0.97Å | 1.10Å | |
| C29 | H35 | sing | 0.97Å | 1.10Å | |
| C29 | H36 | sing | 0.97Å | 1.10Å | |
| C3 | H2 | sing | 0.94Å | 1.08Å | |
| C30 | H40 | sing | 0.97Å | 1.10Å | |
| C30 | H38 | sing | 0.97Å | 1.10Å | |
| C30 | H39 | sing | 0.98Å | 1.10Å | |
| C31 | H42 | sing | 0.97Å | 1.10Å | |
| C31 | H43 | sing | 0.97Å | 1.10Å | |
| C31 | H41 | sing | 0.97Å | 1.10Å | |
| C32 | H44 | sing | 0.97Å | 1.10Å | |
| C32 | H45 | sing | 0.98Å | 1.10Å | |
| C32 | H46 | sing | 0.97Å | 1.10Å | |
| C9 | H5 | sing | 0.98Å | 1.10Å | |
| C9 | H4 | sing | 0.98Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C27 | C32 | 109.4° | 104.2° |
| C29 | C27 | C28 | 109.0° | 108.9° |
| C29 | C27 | C22 | 109.4° | 113.8° |
| C27 | C29 | H37 | 109.5° | 109.7° |
| C27 | C29 | H35 | 109.5° | 110.3° |
| C27 | C29 | H36 | 109.5° | 110.1° |
| C32 | C27 | C28 | 108.5° | 107.5° |
| C32 | C27 | C22 | 108.7° | 115.6° |
| C27 | C32 | H44 | 109.5° | 110.0° |
| C27 | C32 | H45 | 109.5° | 110.4° |
| C27 | C32 | H46 | 109.5° | 109.6° |
| C28 | C27 | C22 | 111.8° | 106.5° |
| C27 | C28 | H34 | 109.5° | 109.7° |
| C27 | C28 | H32 | 109.5° | 110.3° |
| C27 | C28 | H33 | 109.5° | 109.6° |
| C27 | C22 | C19 | 120.4° | 123.4° |
| C27 | C22 | C23 | 123.4° | 122.4° |
| C19 | C22 | C23 | 116.2° | 114.1° |
| C22 | C19 | C20 | 126.2° | 126.7° |
| C22 | C19 | H25 | 116.9° | 116.8° |
| C22 | C23 | C17 | 121.3° | 120.5° |
| C22 | C23 | H26 | 119.3° | 119.4° |
| C26 | C24 | C30 | 108.1° | 105.8° |
| C26 | C24 | C20 | 111.9° | 111.1° |
| C26 | C24 | C31 | 107.4° | 109.8° |
| C24 | C26 | H29 | 109.5° | 110.3° |
| C24 | C26 | H30 | 109.5° | 109.7° |
| C24 | C26 | H31 | 109.5° | 109.7° |
| C19 | C20 | C24 | 121.2° | 122.0° |
| C19 | C20 | C21 | 116.5° | 113.8° |
| C20 | C19 | H25 | 116.9° | 116.5° |
| C30 | C24 | C20 | 110.3° | 115.6° |
| C30 | C24 | C31 | 109.6° | 104.4° |
| C24 | C30 | H40 | 109.5° | 110.0° |
| C24 | C30 | H38 | 109.4° | 109.8° |
| C24 | C30 | H39 | 109.4° | 110.3° |
| C23 | C17 | C21 | 121.1° | 120.8° |
| C23 | C17 | C18 | 116.7° | 124.1° |
| C17 | C23 | H26 | 119.3° | 118.3° |
| C24 | C20 | C21 | 122.3° | 124.2° |
| C20 | C24 | C31 | 109.6° | 109.9° |
| C20 | C21 | C17 | 118.7° | 121.7° |
| C20 | C21 | O2 | 119.5° | 124.5° |
| C24 | C31 | H42 | 109.5° | 110.4° |
| C24 | C31 | H43 | 109.4° | 109.9° |
| C24 | C31 | H41 | 109.4° | 109.6° |
| C21 | C17 | C18 | 122.1° | 110.8° |
| C17 | C21 | O2 | 121.8° | 113.6° |
| C17 | C18 | N2 | 127.0° | 118.9° |
| C17 | C18 | H24 | 116.5° | 120.6° |
| C21 | O2 | CO1 | 128.2° | 118.0° |
| C18 | N2 | CO1 | 124.8° | 68.9° |
| C18 | N2 | C25 | 120.8° | 144.3° |
| N2 | C18 | H24 | 116.5° | 120.4° |
| O2 | CO1 | N2 | 93.5° | 101.5° |
| O2 | CO1 | O1 | 87.2° | 80.7° |
| O2 | CO1 | N1 | 176.1° | 140.4° |
| C15 | C8 | C14 | 109.4° | 105.9° |
| C15 | C8 | C10 | 108.2° | 109.7° |
| C15 | C8 | C4 | 108.2° | 111.2° |
| C8 | C15 | H19 | 109.5° | 109.7° |
| C8 | C15 | H20 | 109.4° | 109.8° |
| C8 | C15 | H18 | 109.4° | 110.2° |
| CO1 | N2 | C25 | 111.5° | 94.3° |
| N2 | CO1 | O1 | 172.2° | 141.2° |
| N2 | CO1 | N1 | 86.5° | 96.5° |
| N2 | C25 | C9 | 110.6° | 107.8° |
| N2 | C25 | H27 | 109.2° | 110.1° |
| N2 | C25 | H28 | 109.2° | 110.0° |
| O1 | CO1 | N1 | 92.2° | 106.1° |
| CO1 | O1 | C5 | 127.8° | 118.3° |
| CO1 | N1 | C9 | 113.5° | 93.4° |
| CO1 | N1 | C2 | 124.0° | 67.6° |
| C14 | C8 | C10 | 108.5° | 104.5° |
| C14 | C8 | C4 | 109.8° | 115.5° |
| C8 | C14 | H16 | 109.5° | 110.0° |
| C8 | C14 | H17 | 109.4° | 109.8° |
| C8 | C14 | H15 | 109.4° | 110.3° |
| C25 | C9 | N1 | 111.3° | 107.5° |
| C9 | C25 | H27 | 109.2° | 110.3° |
| C9 | C25 | H28 | 109.2° | 110.0° |
| C25 | C9 | H5 | 109.0° | 110.2° |
| C25 | C9 | H4 | 109.0° | 110.3° |
| C10 | C8 | C4 | 112.7° | 109.7° |
| C8 | C10 | H7 | 109.5° | 109.8° |
| C8 | C10 | H8 | 109.5° | 109.8° |
| C8 | C10 | H6 | 109.4° | 110.3° |
| C8 | C4 | C5 | 121.6° | 124.2° |
| C8 | C4 | C3 | 121.2° | 122.1° |
| O1 | C5 | C4 | 120.8° | 125.2° |
| O1 | C5 | C1 | 121.3° | 112.6° |
| C5 | C4 | C3 | 117.2° | 113.7° |
| C4 | C5 | C1 | 117.9° | 121.4° |
| C4 | C3 | C6 | 125.9° | 127.0° |
| C4 | C3 | H2 | 117.0° | 116.4° |
| C5 | C1 | C2 | 120.2° | 112.7° |
| C5 | C1 | C7 | 121.6° | 122.8° |
| C9 | N1 | C2 | 121.5° | 143.4° |
| N1 | C9 | H5 | 109.0° | 110.1° |
| N1 | C9 | H4 | 109.0° | 110.1° |
| N1 | C2 | C1 | 124.9° | 118.5° |
| N1 | C2 | H1 | 117.6° | 120.5° |
| C3 | C6 | C7 | 115.9° | 114.2° |
| C3 | C6 | C11 | 120.5° | 123.0° |
| C6 | C3 | H2 | 117.0° | 116.6° |
| C2 | C1 | C7 | 118.2° | 124.0° |
| C1 | C2 | H1 | 117.5° | 120.9° |
| C1 | C7 | C6 | 121.5° | 120.4° |
| C1 | C7 | H3 | 119.3° | 119.1° |
| C7 | C6 | C11 | 123.6° | 122.8° |
| C6 | C7 | H3 | 119.2° | 120.4° |
| C6 | C11 | C16 | 108.8° | 114.7° |
| C6 | C11 | C13 | 110.8° | 115.1° |
| C6 | C11 | C12 | 111.6° | 105.9° |
| C16 | C11 | C13 | 107.9° | 104.2° |
| C16 | C11 | C12 | 109.1° | 108.5° |
| C11 | C16 | H22 | 109.5° | 110.3° |
| C11 | C16 | H23 | 109.5° | 109.7° |
| C11 | C16 | H21 | 109.5° | 110.0° |
| C13 | C11 | C12 | 108.6° | 108.2° |
| C11 | C13 | H13 | 109.5° | 110.1° |
| C11 | C13 | H14 | 109.5° | 109.6° |
| C11 | C13 | H12 | 109.5° | 110.4° |
| C11 | C12 | H9 | 109.5° | 110.3° |
| C11 | C12 | H10 | 109.5° | 109.7° |
| C11 | C12 | H11 | 109.5° | 109.6° |
| H7 | C10 | H8 | 109.4° | 108.9° |
| H7 | C10 | H6 | 109.5° | 108.8° |
| H8 | C10 | H6 | 109.5° | 109.2° |
| H13 | C13 | H14 | 109.5° | 108.8° |
| H13 | C13 | H12 | 109.5° | 108.7° |
| H14 | C13 | H12 | 109.4° | 109.2° |
| H19 | C15 | H20 | 109.5° | 109.0° |
| H19 | C15 | H18 | 109.5° | 109.1° |
| H20 | C15 | H18 | 109.5° | 109.0° |
| H29 | C26 | H30 | 109.4° | 109.2° |
| H29 | C26 | H31 | 109.5° | 108.9° |
| H30 | C26 | H31 | 109.5° | 108.9° |
| H34 | C28 | H32 | 109.5° | 109.0° |
| H34 | C28 | H33 | 109.4° | 109.0° |
| H32 | C28 | H33 | 109.5° | 109.3° |
| H9 | C12 | H10 | 109.5° | 109.2° |
| H9 | C12 | H11 | 109.4° | 109.2° |
| H10 | C12 | H11 | 109.5° | 108.9° |
| H16 | C14 | H17 | 109.5° | 109.0° |
| H16 | C14 | H15 | 109.5° | 108.9° |
| H17 | C14 | H15 | 109.5° | 108.8° |
| H22 | C16 | H23 | 109.5° | 109.2° |
| H22 | C16 | H21 | 109.4° | 108.5° |
| H23 | C16 | H21 | 109.5° | 109.0° |
| H27 | C25 | H28 | 109.5° | 108.6° |
| H37 | C29 | H35 | 109.5° | 109.1° |
| H37 | C29 | H36 | 109.4° | 109.0° |
| H35 | C29 | H36 | 109.5° | 108.6° |
| H40 | C30 | H38 | 109.4° | 108.9° |
| H40 | C30 | H39 | 109.5° | 108.9° |
| H38 | C30 | H39 | 109.5° | 108.8° |
| H42 | C31 | H43 | 109.5° | 108.9° |
| H42 | C31 | H41 | 109.5° | 109.2° |
| H43 | C31 | H41 | 109.5° | 108.8° |
| H44 | C32 | H45 | 109.4° | 108.8° |
| H44 | C32 | H46 | 109.5° | 108.9° |
| H45 | C32 | H46 | 109.5° | 109.2° |
| H5 | C9 | H4 | 109.5° | 108.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C27 | C32 | C28 | 118.7° | 115.5° |
| C29 | C27 | C32 | C22 | 119.4° | 125.7° |
| C29 | C27 | C28 | C22 | 121.1° | 123.2° |
| C29 | C27 | C22 | C19 | 61.1° | 142.2° |
| C29 | C27 | C22 | C23 | 119.2° | 41.8° |
| C29 | C27 | C28 | H34 | 180.0° | 61.8° |
| C29 | C27 | C28 | H32 | 60.0° | 58.2° |
| C29 | C27 | C28 | H33 | 60.0° | 178.6° |
| C27 | C29 | H37 | H35 | 120.0° | 121.0° |
| C27 | C29 | H37 | H36 | 120.0° | 120.6° |
| C27 | C29 | H35 | H36 | 120.0° | 120.7° |
| C29 | C27 | C32 | H44 | 180.0° | 172.7° |
| C29 | C27 | C32 | H45 | 60.0° | 52.7° |
| C29 | C27 | C32 | H46 | 60.0° | 67.5° |
| C32 | C27 | C28 | C22 | 119.9° | 124.5° |
| C32 | C27 | C22 | C19 | 58.3° | 21.6° |
| C32 | C27 | C22 | C23 | 121.4° | 162.4° |
| C32 | C27 | C28 | H34 | 61.0° | 174.2° |
| C32 | C27 | C28 | H32 | 59.0° | 54.1° |
| C32 | C27 | C28 | H33 | 179.0° | 66.2° |
| C32 | C27 | C29 | H37 | 180.0° | 68.0° |
| C32 | C27 | C29 | H35 | 60.0° | 52.2° |
| C32 | C27 | C29 | H36 | 60.0° | 172.0° |
| C27 | C32 | H44 | H45 | 120.0° | 121.0° |
| C27 | C32 | H44 | H46 | 120.0° | 120.1° |
| C27 | C32 | H45 | H46 | 120.0° | 120.5° |
| C28 | C27 | C22 | C19 | 178.1° | 97.8° |
| C28 | C27 | C22 | C23 | 1.6° | 78.3° |
| C27 | C28 | H34 | H32 | 120.0° | 120.8° |
| C27 | C28 | H34 | H33 | 120.0° | 120.0° |
| C27 | C28 | H32 | H33 | 120.0° | 120.6° |
| C28 | C27 | C29 | H37 | 61.6° | 177.4° |
| C28 | C27 | C29 | H35 | 58.5° | 62.3° |
| C28 | C27 | C29 | H36 | 178.5° | 57.5° |
| C28 | C27 | C32 | H44 | 61.3° | 57.2° |
| C28 | C27 | C32 | H45 | 178.7° | 62.8° |
| C28 | C27 | C32 | H46 | 58.7° | 177.0° |
| C27 | C22 | C19 | C23 | 179.8° | 176.4° |
| C27 | C22 | C19 | C20 | 179.9° | 179.9° |
| C27 | C22 | C23 | C17 | 179.8° | 171.4° |
| C22 | C27 | C28 | H34 | 58.9° | 61.4° |
| C22 | C27 | C28 | H32 | 178.9° | 178.6° |
| C22 | C27 | C28 | H33 | 61.1° | 58.2° |
| C27 | C22 | C19 | H25 | 0.1° | 0.6° |
| C27 | C22 | C23 | H26 | 0.2° | 7.0° |
| C22 | C27 | C29 | H37 | 61.0° | 58.8° |
| C22 | C27 | C29 | H35 | 179.0° | 179.0° |
| C22 | C27 | C29 | H36 | 59.0° | 61.2° |
| C22 | C27 | C32 | H44 | 60.5° | 61.6° |
| C22 | C27 | C32 | H45 | 59.4° | 178.4° |
| C22 | C27 | C32 | H46 | 179.4° | 58.1° |
| C22 | C19 | C20 | H25 | 180.0° | 179.5° |
| C19 | C22 | C23 | C17 | 0.1° | 12.2° |
| C22 | C19 | C20 | C24 | 179.8° | 179.7° |
| C22 | C19 | C20 | C21 | 0.2° | 0.8° |
| C19 | C22 | C23 | H26 | 179.9° | 176.6° |
| C23 | C22 | C19 | C20 | 0.1° | 3.5° |
| C22 | C23 | C17 | H26 | 180.0° | 164.5° |
| C22 | C23 | C17 | C21 | 0.1° | 19.0° |
| C22 | C23 | C17 | C18 | 179.9° | 173.5° |
| C23 | C22 | C19 | H25 | 179.9° | 177.0° |
| C26 | C24 | C20 | C19 | 6.5° | 119.8° |
| C26 | C24 | C30 | C20 | 122.5° | 123.4° |
| C26 | C24 | C30 | C31 | 116.8° | 115.8° |
| C26 | C24 | C20 | C31 | 119.0° | 121.7° |
| C26 | C24 | C20 | C21 | 173.2° | 61.5° |
| C24 | C26 | H29 | H30 | 120.0° | 120.6° |
| C24 | C26 | H29 | H31 | 120.0° | 120.5° |
| C24 | C26 | H30 | H31 | 120.0° | 120.1° |
| C26 | C24 | C30 | H40 | 180.0° | 177.8° |
| C26 | C24 | C30 | H38 | 60.0° | 62.3° |
| C26 | C24 | C30 | H39 | 60.0° | 57.6° |
| C26 | C24 | C31 | H42 | 180.0° | 60.3° |
| C26 | C24 | C31 | H43 | 60.0° | 59.8° |
| C26 | C24 | C31 | H41 | 60.0° | 179.3° |
| C19 | C20 | C24 | C30 | 113.8° | 0.8° |
| C19 | C20 | C24 | C21 | 179.7° | 178.7° |
| C19 | C20 | C24 | C31 | 125.5° | 118.5° |
| C19 | C20 | C21 | C17 | 0.2° | 6.9° |
| C19 | C20 | C21 | O2 | 179.5° | 179.5° |
| C30 | C24 | C20 | C31 | 120.7° | 117.7° |
| C30 | C24 | C20 | C21 | 66.6° | 177.9° |
| C30 | C24 | C26 | H29 | 180.0° | 55.9° |
| C30 | C24 | C26 | H30 | 60.0° | 64.5° |
| C30 | C24 | C26 | H31 | 60.0° | 175.9° |
| C24 | C30 | H40 | H38 | 120.0° | 120.4° |
| C24 | C30 | H40 | H39 | 120.0° | 121.0° |
| C24 | C30 | H38 | H39 | 120.0° | 120.9° |
| C30 | C24 | C31 | H42 | 62.8° | 52.7° |
| C30 | C24 | C31 | H43 | 57.2° | 172.9° |
| C30 | C24 | C31 | H41 | 177.2° | 67.6° |
| C23 | C17 | C21 | C20 | 0.2° | 16.1° |
| C23 | C17 | C21 | C18 | 179.8° | 157.6° |
| C23 | C17 | C21 | O2 | 179.5° | 169.6° |
| C23 | C17 | C18 | N2 | 169.5° | 68.0° |
| C23 | C17 | C18 | H24 | 10.5° | 108.2° |
| C24 | C20 | C21 | C17 | 179.9° | 174.3° |
| C24 | C20 | C21 | O2 | 0.8° | 0.7° |
| C20 | C24 | C26 | H29 | 58.5° | 177.9° |
| C20 | C24 | C26 | H30 | 178.4° | 61.7° |
| C20 | C24 | C26 | H31 | 61.6° | 57.9° |
| C24 | C20 | C19 | H25 | 0.2° | 0.8° |
| C20 | C24 | C30 | H40 | 57.4° | 58.8° |
| C20 | C24 | C30 | H38 | 62.5° | 61.1° |
| C20 | C24 | C30 | H39 | 177.5° | 178.9° |
| C20 | C24 | C31 | H42 | 58.3° | 177.2° |
| C20 | C24 | C31 | H43 | 178.3° | 62.7° |
| C20 | C24 | C31 | H41 | 61.7° | 56.9° |
| C21 | C20 | C24 | C31 | 54.1° | 60.2° |
| C20 | C21 | C17 | O2 | 179.3° | 174.2° |
| C20 | C21 | C17 | C18 | 180.0° | 173.7° |
| C20 | C21 | O2 | CO1 | 164.5° | 161.6° |
| C21 | C20 | C19 | H25 | 179.8° | 179.7° |
| C31 | C24 | C26 | H29 | 61.9° | 56.2° |
| C31 | C24 | C26 | H30 | 58.1° | 176.5° |
| C31 | C24 | C26 | H31 | 178.1° | 63.8° |
| C31 | C24 | C30 | H40 | 63.3° | 61.9° |
| C31 | C24 | C30 | H38 | 176.8° | 178.2° |
| C31 | C24 | C30 | H39 | 56.8° | 58.2° |
| C24 | C31 | H42 | H43 | 120.0° | 120.8° |
| C24 | C31 | H42 | H41 | 120.0° | 120.6° |
| C24 | C31 | H43 | H41 | 120.0° | 120.0° |
| C21 | C17 | C18 | N2 | 10.2° | 88.6° |
| C17 | C21 | O2 | CO1 | 16.3° | 24.3° |
| C21 | C17 | C18 | H24 | 169.7° | 95.1° |
| C21 | C17 | C23 | H26 | 179.9° | 176.5° |
| C18 | C17 | C21 | O2 | 0.8° | 12.1° |
| C17 | C18 | N2 | H24 | 180.0° | 176.3° |
| C17 | C18 | N2 | CO1 | 4.7° | 109.3° |
| C17 | C18 | N2 | C25 | 163.4° | 175.8° |
| C18 | C17 | C23 | H26 | 0.1° | 22.0° |
| C21 | O2 | CO1 | N2 | 17.3° | 8.4° |
| C21 | O2 | CO1 | O1 | 170.5° | 132.3° |
| C21 | O2 | CO1 | N1 | 107.9° | 123.6° |
| C18 | N2 | CO1 | O2 | 6.6° | 52.4° |
| C18 | N2 | CO1 | C25 | 160.4° | 147.5° |
| C18 | N2 | CO1 | O1 | 101.9° | 37.1° |
| C18 | N2 | CO1 | N1 | 177.3° | 163.1° |
| C18 | N2 | C25 | C9 | 170.8° | 106.1° |
| C18 | N2 | C25 | H27 | 50.6° | 14.2° |
| C18 | N2 | C25 | H28 | 69.1° | 133.9° |
| O2 | CO1 | N2 | O1 | 95.3° | 89.5° |
| O2 | CO1 | N2 | N1 | 176.1° | 144.5° |
| O2 | CO1 | N2 | C25 | 153.8° | 160.1° |
| O2 | CO1 | O1 | N1 | 176.1° | 139.9° |
| O2 | CO1 | O1 | C5 | 156.0° | 132.9° |
| O2 | CO1 | N1 | C9 | 79.7° | 97.4° |
| O2 | CO1 | N1 | C2 | 88.7° | 50.3° |
| C15 | C8 | C14 | C10 | 117.9° | 115.9° |
| C15 | C8 | C14 | C4 | 118.5° | 123.5° |
| C15 | C8 | C10 | C4 | 119.6° | 122.4° |
| C15 | C8 | C4 | C5 | 65.8° | 58.5° |
| C15 | C8 | C4 | C3 | 113.8° | 119.5° |
| C15 | C8 | C10 | H7 | 180.0° | 59.7° |
| C15 | C8 | C10 | H8 | 60.0° | 179.4° |
| C15 | C8 | C10 | H6 | 60.0° | 60.3° |
| C8 | C15 | H19 | H20 | 120.0° | 120.3° |
| C8 | C15 | H19 | H18 | 120.0° | 120.8° |
| C8 | C15 | H20 | H18 | 120.0° | 120.9° |
| C15 | C8 | C14 | H16 | 180.0° | 177.8° |
| C15 | C8 | C14 | H17 | 60.0° | 62.2° |
| C15 | C8 | C14 | H15 | 60.0° | 57.7° |
| N2 | CO1 | O1 | N1 | 80.4° | 123.2° |
| CO1 | N2 | C25 | C9 | 27.9° | 47.0° |
| N2 | CO1 | O1 | C5 | 60.2° | 130.2° |
| N2 | CO1 | N1 | C9 | 11.2° | 19.5° |
| N2 | CO1 | N1 | C2 | 179.5° | 167.2° |
| CO1 | N2 | C18 | H24 | 175.3° | 74.4° |
| CO1 | N2 | C25 | H27 | 148.1° | 73.3° |
| CO1 | N2 | C25 | H28 | 92.3° | 167.0° |
| C25 | N2 | CO1 | O1 | 58.5° | 110.4° |
| C25 | N2 | CO1 | N1 | 22.3° | 15.6° |
| N2 | C25 | C9 | H27 | 120.2° | 120.2° |
| N2 | C25 | C9 | H28 | 120.2° | 120.0° |
| N2 | C25 | C9 | N1 | 19.2° | 75.3° |
| C25 | N2 | C18 | H24 | 16.6° | 7.9° |
| N2 | C25 | H27 | H28 | 119.5° | 120.5° |
| N2 | C25 | C9 | H5 | 101.1° | 164.8° |
| N2 | C25 | C9 | H4 | 139.4° | 44.8° |
| CO1 | O1 | C5 | C4 | 154.9° | 159.3° |
| CO1 | O1 | C5 | C1 | 25.6° | 10.1° |
| O1 | CO1 | N1 | C9 | 161.2° | 167.6° |
| O1 | CO1 | N1 | C2 | 7.2° | 44.6° |
| CO1 | N1 | C9 | C25 | 1.9° | 50.0° |
| N1 | CO1 | O1 | C5 | 20.1° | 7.1° |
| CO1 | N1 | C9 | C2 | 168.7° | 55.9° |
| CO1 | N1 | C2 | C1 | 30.4° | 107.0° |
| CO1 | N1 | C2 | H1 | 149.5° | 77.0° |
| CO1 | N1 | C9 | H5 | 118.4° | 170.0° |
| CO1 | N1 | C9 | H4 | 122.2° | 70.2° |
| C14 | C8 | C10 | C4 | 121.8° | 124.4° |
| C14 | C8 | C4 | C5 | 53.5° | 179.2° |
| C14 | C8 | C4 | C3 | 126.9° | 1.3° |
| C14 | C8 | C10 | H7 | 61.4° | 172.9° |
| C14 | C8 | C10 | H8 | 178.6° | 67.4° |
| C14 | C8 | C10 | H6 | 58.6° | 52.9° |
| C14 | C8 | C15 | H19 | 180.0° | 64.7° |
| C14 | C8 | C15 | H20 | 60.0° | 175.6° |
| C14 | C8 | C15 | H18 | 60.0° | 55.5° |
| C8 | C14 | H16 | H17 | 120.0° | 120.5° |
| C8 | C14 | H16 | H15 | 120.0° | 121.0° |
| C8 | C14 | H17 | H15 | 120.0° | 120.8° |
| C25 | C9 | N1 | H5 | 120.3° | 120.0° |
| C25 | C9 | N1 | H4 | 120.3° | 120.2° |
| C25 | C9 | N1 | C2 | 166.8° | 105.9° |
| C9 | C25 | H27 | H28 | 119.5° | 120.6° |
| C25 | C9 | H5 | H4 | 119.2° | 121.0° |
| C10 | C8 | C4 | C5 | 174.6° | 63.1° |
| C10 | C8 | C4 | C3 | 5.8° | 119.0° |
| C8 | C10 | H7 | H8 | 120.0° | 120.2° |
| C8 | C10 | H7 | H6 | 120.0° | 120.9° |
| C8 | C10 | H8 | H6 | 120.0° | 121.1° |
| C10 | C8 | C15 | H19 | 61.9° | 176.9° |
| C10 | C8 | C15 | H20 | 178.1° | 63.3° |
| C10 | C8 | C15 | H18 | 58.1° | 56.8° |
| C10 | C8 | C14 | H16 | 62.1° | 61.9° |
| C10 | C8 | C14 | H17 | 57.9° | 178.1° |
| C10 | C8 | C14 | H15 | 177.9° | 58.2° |
| C8 | C4 | C5 | O1 | 0.5° | 6.4° |
| C8 | C4 | C5 | C3 | 179.7° | 178.1° |
| C8 | C4 | C5 | C1 | 180.0° | 174.9° |
| C8 | C4 | C3 | C6 | 180.0° | 179.8° |
| C4 | C8 | C10 | H7 | 60.4° | 62.7° |
| C4 | C8 | C10 | H8 | 59.6° | 57.0° |
| C4 | C8 | C10 | H6 | 179.6° | 177.3° |
| C4 | C8 | C15 | H19 | 60.5° | 61.6° |
| C4 | C8 | C15 | H20 | 59.5° | 58.2° |
| C4 | C8 | C15 | H18 | 179.5° | 178.3° |
| C4 | C8 | C14 | H16 | 61.5° | 58.6° |
| C4 | C8 | C14 | H17 | 178.5° | 61.3° |
| C4 | C8 | C14 | H15 | 58.6° | 178.7° |
| C8 | C4 | C3 | H2 | 0.0° | 0.4° |
| O1 | C5 | C4 | C1 | 179.5° | 168.5° |
| O1 | C5 | C4 | C3 | 179.8° | 175.6° |
| O1 | C5 | C1 | C2 | 1.1° | 8.5° |
| O1 | C5 | C1 | C7 | 179.9° | 179.6° |
| C5 | C4 | C3 | C6 | 0.3° | 1.7° |
| C4 | C5 | C1 | C2 | 179.4° | 178.3° |
| C4 | C5 | C1 | C7 | 0.4° | 9.8° |
| C5 | C4 | C3 | H2 | 179.6° | 177.7° |
| C3 | C4 | C5 | C1 | 0.3° | 7.1° |
| C4 | C3 | C6 | H2 | 180.0° | 179.4° |
| C4 | C3 | C6 | C7 | 0.5° | 1.4° |
| C4 | C3 | C6 | C11 | 180.0° | 179.5° |
| C5 | C1 | C2 | N1 | 28.5° | 107.5° |
| C5 | C1 | C2 | C7 | 179.0° | 171.8° |
| C5 | C1 | C7 | C6 | 0.6° | 6.3° |
| C5 | C1 | C7 | H3 | 179.4° | 175.4° |
| C5 | C1 | C2 | H1 | 151.5° | 76.5° |
| C9 | N1 | C2 | C1 | 137.1° | 170.4° |
| C9 | N1 | C2 | H1 | 43.0° | 13.6° |
| N1 | C9 | C25 | H27 | 139.4° | 45.0° |
| N1 | C9 | C25 | H28 | 101.0° | 164.7° |
| N1 | C9 | H5 | H4 | 119.1° | 120.6° |
| N1 | C2 | C1 | H1 | 180.0° | 176.0° |
| N1 | C2 | C1 | C7 | 150.5° | 80.8° |
| C2 | N1 | C9 | H5 | 72.9° | 134.1° |
| C2 | N1 | C9 | H4 | 46.5° | 14.3° |
| C3 | C6 | C7 | C1 | 0.6° | 0.8° |
| C3 | C6 | C7 | C11 | 179.5° | 178.1° |
| C3 | C6 | C11 | C16 | 58.4° | 32.5° |
| C3 | C6 | C11 | C13 | 60.1° | 153.4° |
| C3 | C6 | C11 | C12 | 178.8° | 87.1° |
| C3 | C6 | C7 | H3 | 179.4° | 179.0° |
| C2 | C1 | C7 | C6 | 179.5° | 177.2° |
| C2 | C1 | C7 | H3 | 0.4° | 4.5° |
| C1 | C7 | C6 | H3 | 180.0° | 178.3° |
| C1 | C7 | C6 | C11 | 179.9° | 177.4° |
| C7 | C1 | C2 | H1 | 29.5° | 95.2° |
| C7 | C6 | C11 | C16 | 121.1° | 149.5° |
| C7 | C6 | C11 | C13 | 120.5° | 28.6° |
| C7 | C6 | C11 | C12 | 0.6° | 90.9° |
| C7 | C6 | C3 | H2 | 179.5° | 179.3° |
| C6 | C11 | C16 | C13 | 120.3° | 126.7° |
| C6 | C11 | C16 | C12 | 122.0° | 118.1° |
| C6 | C11 | C13 | C12 | 122.8° | 118.2° |
| C11 | C6 | C7 | H3 | 0.1° | 0.9° |
| C6 | C11 | C13 | H13 | 180.0° | 61.4° |
| C6 | C11 | C13 | H14 | 60.0° | 58.3° |
| C6 | C11 | C13 | H12 | 60.0° | 178.6° |
| C6 | C11 | C12 | H9 | 180.0° | 178.8° |
| C6 | C11 | C12 | H10 | 60.0° | 60.9° |
| C6 | C11 | C12 | H11 | 60.0° | 58.6° |
| C6 | C11 | C16 | H22 | 180.0° | 178.8° |
| C6 | C11 | C16 | H23 | 60.0° | 58.4° |
| C6 | C11 | C16 | H21 | 60.0° | 61.5° |
| C11 | C6 | C3 | H2 | 0.0° | 1.2° |
| C16 | C11 | C13 | C12 | 118.1° | 115.3° |
| C16 | C11 | C13 | H13 | 61.0° | 172.1° |
| C16 | C11 | C13 | H14 | 59.0° | 68.1° |
| C16 | C11 | C13 | H12 | 179.0° | 52.2° |
| C16 | C11 | C12 | H9 | 59.7° | 57.6° |
| C16 | C11 | C12 | H10 | 179.7° | 62.7° |
| C16 | C11 | C12 | H11 | 60.3° | 177.8° |
| C11 | C16 | H22 | H23 | 120.0° | 120.7° |
| C11 | C16 | H22 | H21 | 120.0° | 120.6° |
| C11 | C16 | H23 | H21 | 120.0° | 120.6° |
| C11 | C13 | H13 | H14 | 120.0° | 120.2° |
| C11 | C13 | H13 | H12 | 120.0° | 121.0° |
| C11 | C13 | H14 | H12 | 120.0° | 121.0° |
| C13 | C11 | C12 | H9 | 57.6° | 54.9° |
| C13 | C11 | C12 | H10 | 62.4° | 175.2° |
| C13 | C11 | C12 | H11 | 177.6° | 65.3° |
| C13 | C11 | C16 | H22 | 59.7° | 52.1° |
| C13 | C11 | C16 | H23 | 179.7° | 68.3° |
| C13 | C11 | C16 | H21 | 60.3° | 171.8° |
| C12 | C11 | C13 | H13 | 57.2° | 56.8° |
| C12 | C11 | C13 | H14 | 177.2° | 176.5° |
| C12 | C11 | C13 | H12 | 62.9° | 63.2° |
| C11 | C12 | H9 | H10 | 120.0° | 120.6° |
| C11 | C12 | H9 | H11 | 120.0° | 120.4° |
| C11 | C12 | H10 | H11 | 120.0° | 119.9° |
| C12 | C11 | C16 | H22 | 58.1° | 63.1° |
| C12 | C11 | C16 | H23 | 62.0° | 176.6° |
| C12 | C11 | C16 | H21 | 178.0° | 56.6° |
| H7 | C10 | H8 | H6 | 120.0° | 118.7° |
| H13 | C13 | H14 | H12 | 120.0° | 118.5° |
| H19 | C15 | H20 | H18 | 120.0° | 119.0° |
| H29 | C26 | H30 | H31 | 120.0° | 118.9° |
| H34 | C28 | H32 | H33 | 120.0° | 119.0° |
| H9 | C12 | H10 | H11 | 120.0° | 119.2° |
| H16 | C14 | H17 | H15 | 120.0° | 118.6° |
| H22 | C16 | H23 | H21 | 119.9° | 118.4° |
| H27 | C25 | C9 | H5 | 19.1° | 75.0° |
| H27 | C25 | C9 | H4 | 100.4° | 165.0° |
| H28 | C25 | C9 | H5 | 138.7° | 44.8° |
| H28 | C25 | C9 | H4 | 19.2° | 75.2° |
| H37 | C29 | H35 | H36 | 120.0° | 118.7° |
| H40 | C30 | H38 | H39 | 120.0° | 118.5° |
| H42 | C31 | H43 | H41 | 120.0° | 118.9° |
| H44 | C32 | H45 | H46 | 120.0° | 118.7° |
