A1L1W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C | sing | 1.53Å | 1.56Å | |
| C | C12 | sing | 1.54Å | 1.56Å | |
| C | C1 | sing | 1.53Å | 1.55Å | |
| C | C11 | sing | 1.51Å | 1.55Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C22 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C6 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | C21 | sing | 1.48Å | 1.50Å | |
| C10 | C6 | sing | 1.40Å | 1.42Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.43Å | Aromatic |
| C14 | C8 | sing | 1.51Å | 1.53Å | |
| C9 | C11 | sing | 1.39Å | 1.44Å | Aromatic |
| C15 | C9 | sing | 1.51Å | 1.55Å | |
| C11 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C10 | sing | 1.51Å | 1.50Å | |
| C12 | C13 | sing | 1.54Å | 1.53Å | |
| C16 | C15 | sing | 1.51Å | 1.55Å | |
| O | C15 | sing | 1.43Å | 1.44Å | |
| O1 | C16 | sing | 1.34Å | 1.25Å | |
| O2 | C16 | doub | 1.21Å | 1.25Å | |
| C17 | O | sing | 1.43Å | 1.43Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C19 | C17 | sing | 1.53Å | 1.54Å | |
| C20 | C17 | sing | 1.53Å | 1.53Å | |
| N | C21 | sing | 1.35Å | 1.33Å | |
| C21 | O3 | doub | 1.22Å | 1.23Å | |
| C23 | N | sing | 1.46Å | 1.46Å | |
| C23 | C24 | sing | 1.54Å | 1.55Å | |
| C26 | C23 | sing | 1.50Å | 1.55Å | |
| C24 | C25 | sing | 1.46Å | 1.54Å | |
| C25 | C27 | sing | 1.54Å | 1.54Å | |
| C28 | C26 | sing | 1.54Å | 1.54Å | |
| C27 | C29 | sing | 1.50Å | 1.54Å | |
| C29 | C28 | sing | 1.54Å | 1.54Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å | |
| C28 | H40 | sing | 1.09Å | 1.10Å | |
| N | H27 | sing | 0.97Å | 1.00Å | |
| C1 | H | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H43 | sing | 1.09Å | 1.10Å | |
| C29 | H42 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| O1 | H44 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C | C12 | 109.8° | 109.9° |
| C5 | C | C1 | 110.1° | 110.6° |
| C5 | C | C11 | 109.8° | 110.4° |
| C | C5 | C4 | 114.8° | 109.5° |
| C | C5 | H8 | 108.1° | 109.5° |
| C | C5 | H7 | 108.1° | 109.4° |
| C12 | C | C1 | 107.4° | 109.9° |
| C12 | C | C11 | 102.2° | 105.6° |
| C | C12 | C13 | 107.5° | 102.2° |
| C | C12 | H10 | 110.0° | 110.9° |
| C | C12 | H11 | 109.9° | 110.9° |
| C1 | C | C11 | 117.1° | 110.4° |
| C | C1 | C2 | 111.7° | 109.6° |
| C | C1 | H | 108.9° | 109.4° |
| C | C1 | H1 | 108.9° | 109.4° |
| C | C11 | C9 | 130.6° | 130.5° |
| C | C11 | C10 | 109.7° | 109.7° |
| C1 | C2 | C3 | 111.6° | 109.4° |
| C2 | C1 | H | 108.9° | 109.5° |
| C2 | C1 | H1 | 108.9° | 109.5° |
| C1 | C2 | H2 | 108.9° | 109.5° |
| C1 | C2 | H3 | 108.9° | 109.5° |
| C2 | C3 | C4 | 111.1° | 109.5° |
| C2 | C3 | C22 | 110.6° | 109.5° |
| C3 | C2 | H2 | 108.9° | 109.4° |
| C3 | C2 | H3 | 108.9° | 109.5° |
| C2 | C3 | H4 | 108.3° | 109.5° |
| C4 | C3 | C22 | 110.0° | 109.5° |
| C3 | C4 | C5 | 112.0° | 109.5° |
| C3 | C4 | H5 | 108.8° | 109.5° |
| C3 | C4 | H6 | 108.8° | 109.5° |
| C4 | C3 | H4 | 108.3° | 109.4° |
| C3 | C22 | H29 | 109.5° | 109.5° |
| C3 | C22 | H30 | 109.4° | 109.5° |
| C3 | C22 | H28 | 109.5° | 109.4° |
| C22 | C3 | H4 | 108.4° | 109.4° |
| C5 | C4 | H5 | 108.8° | 109.5° |
| C5 | C4 | H6 | 108.8° | 109.5° |
| C4 | C5 | H8 | 108.1° | 109.5° |
| C4 | C5 | H7 | 108.1° | 109.5° |
| C7 | C6 | C21 | 118.9° | 120.0° |
| C7 | C6 | C10 | 117.8° | 120.0° |
| C6 | C7 | C8 | 121.7° | 119.7° |
| C6 | C7 | H9 | 119.2° | 120.2° |
| C21 | C6 | C10 | 123.3° | 120.0° |
| C6 | C21 | N | 116.8° | 120.0° |
| C6 | C21 | O3 | 121.1° | 120.0° |
| C6 | C10 | C11 | 122.2° | 119.8° |
| C6 | C10 | C13 | 125.9° | 130.4° |
| C7 | C8 | C9 | 120.5° | 120.1° |
| C7 | C8 | C14 | 116.0° | 119.9° |
| C8 | C7 | H9 | 119.1° | 120.1° |
| C9 | C8 | C14 | 123.5° | 119.9° |
| C8 | C9 | C11 | 118.0° | 120.5° |
| C8 | C9 | C15 | 119.3° | 119.7° |
| C8 | C14 | H16 | 109.5° | 109.5° |
| C8 | C14 | H15 | 109.5° | 109.5° |
| C8 | C14 | H14 | 109.5° | 109.5° |
| C11 | C9 | C15 | 122.8° | 119.7° |
| C9 | C11 | C10 | 119.8° | 119.9° |
| C9 | C15 | C16 | 110.6° | 109.5° |
| C9 | C15 | O | 113.7° | 109.4° |
| C9 | C15 | H17 | 106.7° | 109.5° |
| C11 | C10 | C13 | 111.9° | 109.8° |
| C10 | C13 | C12 | 103.6° | 105.2° |
| C10 | C13 | H13 | 110.9° | 110.3° |
| C10 | C13 | H12 | 110.9° | 110.3° |
| C12 | C13 | H13 | 110.9° | 110.3° |
| C12 | C13 | H12 | 110.9° | 110.4° |
| C13 | C12 | H10 | 110.0° | 110.8° |
| C13 | C12 | H11 | 110.0° | 110.9° |
| C16 | C15 | O | 110.8° | 109.5° |
| C15 | C16 | O1 | 119.4° | 120.0° |
| C15 | C16 | O2 | 116.3° | 120.0° |
| C16 | C15 | H17 | 106.7° | 109.5° |
| C15 | O | C17 | 122.1° | 113.9° |
| O | C15 | H17 | 107.9° | 109.5° |
| O1 | C16 | O2 | 124.3° | 120.0° |
| C16 | O1 | H44 | 109.5° | 117.0° |
| O | C17 | C18 | 113.7° | 109.5° |
| O | C17 | C19 | 112.8° | 109.5° |
| O | C17 | C20 | 102.4° | 109.5° |
| C18 | C17 | C19 | 111.5° | 109.4° |
| C18 | C17 | C20 | 107.7° | 109.5° |
| C17 | C18 | H19 | 109.5° | 109.4° |
| C17 | C18 | H20 | 109.5° | 109.5° |
| C17 | C18 | H18 | 109.5° | 109.5° |
| C19 | C17 | C20 | 108.0° | 109.5° |
| C17 | C19 | H22 | 109.5° | 109.5° |
| C17 | C19 | H21 | 109.5° | 109.5° |
| C17 | C19 | H23 | 109.5° | 109.4° |
| C17 | C20 | H26 | 109.5° | 109.4° |
| C17 | C20 | H25 | 109.5° | 109.5° |
| C17 | C20 | H24 | 109.4° | 109.5° |
| N | C21 | O3 | 122.1° | 120.0° |
| C21 | N | C23 | 124.9° | 120.0° |
| C21 | N | H27 | 117.6° | 120.0° |
| N | C23 | C24 | 107.0° | 109.6° |
| N | C23 | C26 | 107.9° | 109.7° |
| C23 | N | H27 | 117.6° | 120.0° |
| N | C23 | H31 | 108.9° | 109.8° |
| C24 | C23 | C26 | 117.3° | 108.5° |
| C23 | C24 | C25 | 114.5° | 112.4° |
| C23 | C24 | H32 | 108.2° | 109.0° |
| C23 | C24 | H33 | 108.2° | 108.9° |
| C24 | C23 | H31 | 107.8° | 109.6° |
| C23 | C26 | C28 | 115.8° | 112.6° |
| C23 | C26 | H36 | 107.9° | 108.9° |
| C23 | C26 | H37 | 107.9° | 108.8° |
| C26 | C23 | H31 | 107.8° | 109.6° |
| C24 | C25 | C27 | 113.9° | 112.4° |
| C25 | C24 | H32 | 108.2° | 108.8° |
| C25 | C24 | H33 | 108.2° | 108.8° |
| C24 | C25 | H35 | 108.4° | 108.9° |
| C24 | C25 | H34 | 108.4° | 108.9° |
| C25 | C27 | C29 | 115.1° | 108.5° |
| C27 | C25 | H35 | 108.4° | 108.9° |
| C27 | C25 | H34 | 108.3° | 108.9° |
| C25 | C27 | H39 | 108.1° | 109.6° |
| C25 | C27 | H38 | 108.0° | 109.6° |
| C26 | C28 | C29 | 112.7° | 112.8° |
| C28 | C26 | H36 | 107.9° | 108.9° |
| C28 | C26 | H37 | 107.9° | 108.8° |
| C26 | C28 | H41 | 108.6° | 108.8° |
| C26 | C28 | H40 | 108.7° | 108.9° |
| C27 | C29 | C28 | 114.4° | 112.5° |
| C29 | C27 | H39 | 108.1° | 109.6° |
| C29 | C27 | H38 | 108.0° | 109.7° |
| C27 | C29 | H43 | 108.2° | 108.8° |
| C27 | C29 | H42 | 108.2° | 108.9° |
| C29 | C28 | H41 | 108.7° | 108.8° |
| C29 | C28 | H40 | 108.7° | 108.7° |
| C28 | C29 | H43 | 108.2° | 108.9° |
| C28 | C29 | H42 | 108.2° | 108.9° |
| H5 | C4 | H6 | 109.5° | 109.4° |
| H8 | C5 | H7 | 109.5° | 109.4° |
| H13 | C13 | H12 | 109.5° | 110.3° |
| H26 | C20 | H25 | 109.5° | 109.5° |
| H26 | C20 | H24 | 109.5° | 109.5° |
| H25 | C20 | H24 | 109.5° | 109.5° |
| H29 | C22 | H30 | 109.5° | 109.5° |
| H29 | C22 | H28 | 109.5° | 109.4° |
| H30 | C22 | H28 | 109.5° | 109.5° |
| H32 | C24 | H33 | 109.5° | 108.9° |
| H36 | C26 | H37 | 109.4° | 108.8° |
| H41 | C28 | H40 | 109.5° | 108.8° |
| H | C1 | H1 | 109.4° | 109.4° |
| H10 | C12 | H11 | 109.5° | 110.9° |
| H16 | C14 | H15 | 109.4° | 109.5° |
| H16 | C14 | H14 | 109.5° | 109.4° |
| H15 | C14 | H14 | 109.5° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.4° |
| H19 | C18 | H18 | 109.5° | 109.5° |
| H20 | C18 | H18 | 109.4° | 109.5° |
| H22 | C19 | H21 | 109.5° | 109.5° |
| H22 | C19 | H23 | 109.4° | 109.5° |
| H21 | C19 | H23 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H35 | C25 | H34 | 109.5° | 108.8° |
| H39 | C27 | H38 | 109.5° | 109.8° |
| H43 | C29 | H42 | 109.4° | 108.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C | C12 | C1 | 119.7° | 121.9° |
| C5 | C | C12 | C11 | 116.5° | 119.0° |
| C5 | C | C1 | C11 | 126.4° | 122.4° |
| C5 | C | C1 | C2 | 53.1° | 58.8° |
| C | C5 | C4 | C3 | 50.0° | 59.2° |
| C | C5 | C4 | H8 | 120.8° | 120.0° |
| C | C5 | C4 | H7 | 120.8° | 120.0° |
| C5 | C | C11 | C9 | 76.3° | 44.3° |
| C5 | C | C11 | C10 | 102.8° | 135.7° |
| C5 | C | C12 | C13 | 94.6° | 145.0° |
| C | C5 | C4 | H5 | 70.4° | 179.2° |
| C | C5 | C4 | H6 | 170.4° | 60.8° |
| C | C5 | H8 | H7 | 117.6° | 119.9° |
| C5 | C | C1 | H | 173.4° | 178.9° |
| C5 | C | C1 | H1 | 67.3° | 61.2° |
| C5 | C | C12 | H10 | 145.7° | 26.9° |
| C5 | C | C12 | H11 | 25.1° | 96.8° |
| C12 | C | C1 | C11 | 114.1° | 116.0° |
| C12 | C | C1 | C2 | 66.5° | 62.7° |
| C12 | C | C5 | C4 | 68.2° | 62.7° |
| C12 | C | C11 | C9 | 167.2° | 163.0° |
| C12 | C | C11 | C10 | 13.7° | 17.0° |
| C | C12 | C13 | C10 | 22.0° | 26.0° |
| C | C12 | C13 | H10 | 119.7° | 118.2° |
| C | C12 | C13 | H11 | 119.7° | 118.2° |
| C12 | C | C5 | H8 | 171.0° | 57.3° |
| C12 | C | C5 | H7 | 52.5° | 177.3° |
| C | C12 | C13 | H13 | 97.0° | 144.9° |
| C | C12 | C13 | H12 | 141.1° | 93.0° |
| C12 | C | C1 | H | 53.9° | 57.3° |
| C12 | C | C1 | H1 | 173.2° | 177.2° |
| C | C12 | H10 | H11 | 120.9° | 123.6° |
| C | C1 | C2 | H | 120.4° | 120.0° |
| C | C1 | C2 | H1 | 120.4° | 120.0° |
| C | C1 | C2 | C3 | 58.1° | 59.3° |
| C1 | C | C5 | C4 | 49.8° | 58.8° |
| C1 | C | C11 | C9 | 50.1° | 78.3° |
| C1 | C | C11 | C10 | 130.7° | 101.8° |
| C1 | C | C12 | C13 | 145.7° | 93.0° |
| C1 | C | C5 | H8 | 70.9° | 178.9° |
| C1 | C | C5 | H7 | 170.6° | 61.2° |
| C | C1 | H | H1 | 119.0° | 119.9° |
| C1 | C | C12 | H10 | 26.0° | 148.8° |
| C1 | C | C12 | H11 | 94.6° | 25.2° |
| C | C1 | C2 | H2 | 62.3° | 60.7° |
| C | C1 | C2 | H3 | 178.4° | 179.2° |
| C11 | C | C1 | C2 | 179.4° | 178.7° |
| C11 | C | C5 | C4 | 179.9° | 178.8° |
| C | C11 | C10 | C6 | 179.8° | 179.9° |
| C | C11 | C9 | C8 | 179.6° | 180.0° |
| C | C11 | C9 | C10 | 179.1° | 180.0° |
| C | C11 | C9 | C15 | 0.2° | 0.1° |
| C | C11 | C10 | C13 | 0.2° | 0.1° |
| C11 | C | C12 | C13 | 21.9° | 26.0° |
| C11 | C | C5 | H8 | 59.4° | 58.7° |
| C11 | C | C5 | H7 | 59.1° | 61.2° |
| C11 | C | C1 | H | 60.2° | 58.7° |
| C11 | C | C1 | H1 | 59.1° | 61.2° |
| C11 | C | C12 | H10 | 97.8° | 92.1° |
| C11 | C | C12 | H11 | 141.6° | 144.2° |
| C1 | C2 | C3 | H2 | 120.3° | 120.0° |
| C1 | C2 | C3 | H3 | 120.3° | 120.0° |
| C1 | C2 | C3 | C4 | 56.9° | 60.3° |
| C1 | C2 | C3 | C22 | 179.4° | 179.6° |
| C2 | C1 | H | H1 | 118.9° | 120.0° |
| C1 | C2 | H2 | H3 | 119.0° | 120.1° |
| C1 | C2 | C3 | H4 | 61.9° | 59.7° |
| C2 | C3 | C4 | C22 | 122.8° | 120.1° |
| C2 | C3 | C4 | H4 | 118.8° | 120.0° |
| C2 | C3 | C22 | H4 | 118.6° | 120.0° |
| C2 | C3 | C4 | C5 | 52.2° | 60.4° |
| C2 | C3 | C4 | H5 | 68.2° | 179.6° |
| C2 | C3 | C4 | H6 | 172.6° | 59.6° |
| C2 | C3 | C22 | H29 | 180.0° | 59.9° |
| C2 | C3 | C22 | H30 | 60.0° | 180.0° |
| C2 | C3 | C22 | H28 | 60.0° | 60.0° |
| C3 | C2 | C1 | H | 178.4° | 179.3° |
| C3 | C2 | C1 | H1 | 62.3° | 60.7° |
| C3 | C2 | H2 | H3 | 119.0° | 120.0° |
| C4 | C3 | C22 | H4 | 118.3° | 119.9° |
| C3 | C4 | C5 | H5 | 120.4° | 120.0° |
| C3 | C4 | C5 | H6 | 120.4° | 120.0° |
| C3 | C4 | H5 | H6 | 118.8° | 120.0° |
| C3 | C4 | C5 | H8 | 70.7° | 179.3° |
| C3 | C4 | C5 | H7 | 170.8° | 60.7° |
| C4 | C3 | C22 | H29 | 56.9° | 180.0° |
| C4 | C3 | C22 | H30 | 63.1° | 59.9° |
| C4 | C3 | C22 | H28 | 176.9° | 60.1° |
| C4 | C3 | C2 | H2 | 63.4° | 59.6° |
| C4 | C3 | C2 | H3 | 177.3° | 179.7° |
| C22 | C3 | C4 | C5 | 175.1° | 179.6° |
| C22 | C3 | C4 | H5 | 54.7° | 59.6° |
| C22 | C3 | C4 | H6 | 64.5° | 60.4° |
| C3 | C22 | H29 | H30 | 120.0° | 120.1° |
| C3 | C22 | H29 | H28 | 120.0° | 119.9° |
| C3 | C22 | H30 | H28 | 120.0° | 120.0° |
| C22 | C3 | C2 | H2 | 59.1° | 60.4° |
| C22 | C3 | C2 | H3 | 60.3° | 59.6° |
| C5 | C4 | H5 | H6 | 118.8° | 120.0° |
| C4 | C5 | H8 | H7 | 117.6° | 120.0° |
| C5 | C4 | C3 | H4 | 66.6° | 59.7° |
| C7 | C6 | C21 | C10 | 178.5° | 180.0° |
| C6 | C7 | C8 | H9 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.6° | 0.1° |
| C6 | C7 | C8 | C14 | 179.8° | 180.0° |
| C7 | C6 | C10 | C11 | 0.6° | 0.0° |
| C7 | C6 | C10 | C13 | 179.5° | 179.9° |
| C7 | C6 | C21 | N | 122.6° | 0.1° |
| C7 | C6 | C21 | O3 | 58.9° | 179.9° |
| C21 | C6 | C7 | C8 | 179.2° | 179.9° |
| C21 | C6 | C10 | C11 | 179.1° | 180.0° |
| C21 | C6 | C10 | C13 | 1.0° | 0.0° |
| C6 | C21 | N | O3 | 178.4° | 180.0° |
| C6 | C21 | N | C23 | 174.9° | 180.0° |
| C21 | C6 | C7 | H9 | 0.8° | 0.0° |
| C6 | C21 | N | H27 | 5.1° | 0.0° |
| C10 | C6 | C7 | C8 | 0.6° | 0.0° |
| C6 | C10 | C11 | C9 | 0.5° | 0.0° |
| C6 | C10 | C11 | C13 | 180.0° | 180.0° |
| C6 | C10 | C13 | C12 | 166.3° | 163.0° |
| C10 | C6 | C21 | N | 58.9° | 179.9° |
| C10 | C6 | C21 | O3 | 119.5° | 0.1° |
| C10 | C6 | C7 | H9 | 179.4° | 179.9° |
| C6 | C10 | C13 | H13 | 74.7° | 44.1° |
| C6 | C10 | C13 | H12 | 47.2° | 78.0° |
| C7 | C8 | C9 | C14 | 179.5° | 179.9° |
| C7 | C8 | C9 | C11 | 0.5° | 0.1° |
| C7 | C8 | C9 | C15 | 178.9° | 180.0° |
| C7 | C8 | C14 | H16 | 89.8° | 89.9° |
| C7 | C8 | C14 | H15 | 150.2° | 150.0° |
| C7 | C8 | C14 | H14 | 30.2° | 30.0° |
| C8 | C9 | C11 | C15 | 179.4° | 179.9° |
| C8 | C9 | C11 | C10 | 0.5° | 0.0° |
| C8 | C9 | C15 | C16 | 80.2° | 63.1° |
| C8 | C9 | C15 | O | 45.3° | 56.9° |
| C9 | C8 | C7 | H9 | 179.4° | 180.0° |
| C8 | C9 | C15 | H17 | 164.1° | 176.8° |
| C9 | C8 | C14 | H16 | 89.7° | 89.9° |
| C9 | C8 | C14 | H15 | 30.2° | 30.1° |
| C9 | C8 | C14 | H14 | 150.2° | 150.1° |
| C14 | C8 | C9 | C11 | 179.9° | 180.0° |
| C14 | C8 | C9 | C15 | 0.6° | 0.1° |
| C14 | C8 | C7 | H9 | 0.2° | 0.1° |
| C8 | C14 | H16 | H15 | 120.0° | 120.1° |
| C8 | C14 | H16 | H14 | 120.0° | 120.0° |
| C8 | C14 | H15 | H14 | 120.0° | 120.0° |
| C9 | C11 | C10 | C13 | 179.5° | 179.9° |
| C11 | C9 | C15 | C16 | 100.3° | 116.8° |
| C11 | C9 | C15 | O | 134.2° | 123.3° |
| C11 | C9 | C15 | H17 | 15.3° | 3.3° |
| C15 | C9 | C11 | C10 | 178.9° | 179.9° |
| C9 | C15 | C16 | O | 127.1° | 119.9° |
| C9 | C15 | C16 | H17 | 115.7° | 120.0° |
| C9 | C15 | O | H17 | 118.1° | 120.0° |
| C9 | C15 | C16 | O1 | 20.8° | 65.0° |
| C9 | C15 | C16 | O2 | 158.8° | 114.9° |
| C9 | C15 | O | C17 | 76.2° | 151.4° |
| C11 | C10 | C13 | C12 | 13.7° | 17.0° |
| C11 | C10 | C13 | H13 | 105.4° | 135.9° |
| C11 | C10 | C13 | H12 | 132.8° | 102.0° |
| C10 | C13 | C12 | H13 | 119.1° | 118.9° |
| C10 | C13 | C12 | H12 | 119.0° | 118.9° |
| C10 | C13 | H13 | H12 | 122.7° | 122.1° |
| C10 | C13 | C12 | H10 | 97.7° | 92.2° |
| C10 | C13 | C12 | H11 | 141.7° | 144.1° |
| C12 | C13 | H13 | H12 | 122.7° | 122.2° |
| C13 | C12 | H10 | H11 | 120.9° | 123.6° |
| C16 | C15 | O | H17 | 116.5° | 120.0° |
| C15 | C16 | O1 | O2 | 179.6° | 180.0° |
| C16 | C15 | O | C17 | 158.4° | 88.6° |
| C15 | C16 | O1 | H44 | 179.6° | 180.0° |
| O | C15 | C16 | O1 | 147.9° | 175.0° |
| O | C15 | C16 | O2 | 31.7° | 5.0° |
| C15 | O | C17 | C18 | 59.3° | 63.2° |
| C15 | O | C17 | C19 | 69.0° | 176.8° |
| C15 | O | C17 | C20 | 175.2° | 56.8° |
| O1 | C16 | C15 | H17 | 94.8° | 55.0° |
| O2 | C16 | C15 | H17 | 85.5° | 125.0° |
| O2 | C16 | O1 | H44 | 0.0° | 0.0° |
| O | C17 | C18 | C19 | 129.0° | 120.0° |
| O | C17 | C18 | C20 | 112.7° | 120.0° |
| O | C17 | C19 | C20 | 112.4° | 120.1° |
| C17 | O | C15 | H17 | 41.9° | 31.4° |
| O | C17 | C20 | H26 | 180.0° | 60.0° |
| O | C17 | C20 | H25 | 60.0° | 180.0° |
| O | C17 | C20 | H24 | 60.0° | 60.0° |
| O | C17 | C18 | H19 | 180.0° | 82.3° |
| O | C17 | C18 | H20 | 60.0° | 157.8° |
| O | C17 | C18 | H18 | 60.0° | 37.8° |
| O | C17 | C19 | H22 | 180.0° | 59.9° |
| O | C17 | C19 | H21 | 60.0° | 180.0° |
| O | C17 | C19 | H23 | 60.0° | 60.0° |
| C18 | C17 | C19 | C20 | 118.1° | 120.0° |
| C18 | C17 | C20 | H26 | 59.8° | 180.0° |
| C18 | C17 | C20 | H25 | 179.8° | 60.0° |
| C18 | C17 | C20 | H24 | 60.2° | 60.0° |
| C17 | C18 | H19 | H20 | 120.0° | 119.9° |
| C17 | C18 | H19 | H18 | 120.0° | 120.0° |
| C17 | C18 | H20 | H18 | 120.0° | 120.0° |
| C18 | C17 | C19 | H22 | 50.6° | 60.0° |
| C18 | C17 | C19 | H21 | 69.5° | 60.0° |
| C18 | C17 | C19 | H23 | 170.6° | 180.0° |
| C19 | C17 | C20 | H26 | 60.8° | 60.0° |
| C19 | C17 | C20 | H25 | 59.3° | 60.0° |
| C19 | C17 | C20 | H24 | 179.2° | 180.0° |
| C19 | C17 | C18 | H19 | 51.1° | 157.8° |
| C19 | C17 | C18 | H20 | 171.1° | 37.8° |
| C19 | C17 | C18 | H18 | 69.0° | 82.2° |
| C17 | C19 | H22 | H21 | 120.0° | 120.0° |
| C17 | C19 | H22 | H23 | 120.0° | 119.9° |
| C17 | C19 | H21 | H23 | 120.0° | 120.0° |
| C17 | C20 | H26 | H25 | 120.0° | 120.0° |
| C17 | C20 | H26 | H24 | 120.0° | 120.0° |
| C17 | C20 | H25 | H24 | 120.0° | 120.0° |
| C20 | C17 | C18 | H19 | 67.3° | 37.8° |
| C20 | C17 | C18 | H20 | 52.7° | 82.2° |
| C20 | C17 | C18 | H18 | 172.7° | 157.8° |
| C20 | C17 | C19 | H22 | 67.6° | 180.0° |
| C20 | C17 | C19 | H21 | 172.4° | 60.0° |
| C20 | C17 | C19 | H23 | 52.4° | 60.0° |
| C21 | N | C23 | H27 | 180.0° | 180.0° |
| C21 | N | C23 | C24 | 105.3° | 86.0° |
| C21 | N | C23 | C26 | 127.7° | 155.0° |
| C21 | N | C23 | H31 | 10.9° | 34.5° |
| O3 | C21 | N | C23 | 3.6° | 0.0° |
| O3 | C21 | N | H27 | 176.4° | 180.0° |
| N | C23 | C24 | C26 | 121.3° | 119.7° |
| N | C23 | C24 | H31 | 117.0° | 120.6° |
| N | C23 | C26 | H31 | 117.4° | 120.6° |
| N | C23 | C24 | C25 | 175.0° | 160.3° |
| N | C23 | C26 | C28 | 166.6° | 146.1° |
| N | C23 | C24 | H32 | 64.3° | 78.9° |
| N | C23 | C24 | H33 | 54.2° | 39.7° |
| N | C23 | C26 | H36 | 72.5° | 93.0° |
| N | C23 | C26 | H37 | 45.7° | 25.4° |
| C24 | C23 | C26 | H31 | 121.7° | 119.7° |
| C23 | C24 | C25 | H32 | 120.7° | 120.8° |
| C23 | C24 | C25 | H33 | 120.7° | 120.7° |
| C23 | C24 | C25 | C27 | 88.8° | 61.9° |
| C24 | C23 | C26 | C28 | 45.7° | 94.2° |
| C23 | C24 | H32 | H33 | 117.7° | 118.6° |
| C24 | C23 | C26 | H36 | 166.7° | 26.7° |
| C24 | C23 | C26 | H37 | 75.2° | 145.1° |
| C24 | C23 | N | H27 | 74.7° | 94.0° |
| C23 | C24 | C25 | H35 | 150.6° | 177.3° |
| C23 | C24 | C25 | H34 | 31.9° | 58.8° |
| C26 | C23 | C24 | C25 | 63.7° | 79.9° |
| C23 | C26 | C28 | H36 | 120.9° | 120.8° |
| C23 | C26 | C28 | H37 | 120.9° | 120.7° |
| C23 | C26 | C28 | C29 | 70.8° | 41.7° |
| C26 | C23 | C24 | H32 | 57.0° | 40.8° |
| C26 | C23 | C24 | H33 | 175.5° | 159.4° |
| C23 | C26 | H36 | H37 | 117.1° | 118.4° |
| C23 | C26 | C28 | H41 | 49.6° | 79.1° |
| C23 | C26 | C28 | H40 | 168.7° | 162.5° |
| C26 | C23 | N | H27 | 52.3° | 25.0° |
| C24 | C25 | C27 | H35 | 120.7° | 120.7° |
| C24 | C25 | C27 | H34 | 120.6° | 120.7° |
| C24 | C25 | C27 | C29 | 45.4° | 80.0° |
| C25 | C24 | H32 | H33 | 117.7° | 118.5° |
| C25 | C24 | C23 | H31 | 58.0° | 39.7° |
| C24 | C25 | H35 | H34 | 118.0° | 118.5° |
| C24 | C25 | C27 | H39 | 75.5° | 39.7° |
| C24 | C25 | C27 | H38 | 166.2° | 160.3° |
| C25 | C27 | C29 | H39 | 120.8° | 119.7° |
| C25 | C27 | C29 | H38 | 120.8° | 119.7° |
| C25 | C27 | C29 | C28 | 35.7° | 94.1° |
| C27 | C25 | C24 | H32 | 32.0° | 58.9° |
| C27 | C25 | C24 | H33 | 150.5° | 177.4° |
| C27 | C25 | H35 | H34 | 118.0° | 118.6° |
| C25 | C27 | H39 | H38 | 117.4° | 120.5° |
| C25 | C27 | C29 | H43 | 85.0° | 26.6° |
| C25 | C27 | C29 | H42 | 156.5° | 145.1° |
| C26 | C28 | C29 | C27 | 90.2° | 41.7° |
| C26 | C28 | C29 | H41 | 120.5° | 120.8° |
| C26 | C28 | C29 | H40 | 120.5° | 120.8° |
| C28 | C26 | H36 | H37 | 117.1° | 118.5° |
| C26 | C28 | H41 | H40 | 118.5° | 118.5° |
| C28 | C26 | C23 | H31 | 76.0° | 25.5° |
| C26 | C28 | C29 | H43 | 30.5° | 79.0° |
| C26 | C28 | C29 | H42 | 149.1° | 162.5° |
| C27 | C29 | C28 | H43 | 120.7° | 120.8° |
| C27 | C29 | C28 | H42 | 120.7° | 120.8° |
| C27 | C29 | C28 | H41 | 30.3° | 162.6° |
| C27 | C29 | C28 | H40 | 149.3° | 79.1° |
| C29 | C27 | C25 | H35 | 166.1° | 159.3° |
| C29 | C27 | C25 | H34 | 75.3° | 40.7° |
| C29 | C27 | H39 | H38 | 117.4° | 120.5° |
| C27 | C29 | H43 | H42 | 117.7° | 118.5° |
| C29 | C28 | C26 | H36 | 168.2° | 79.1° |
| C29 | C28 | C26 | H37 | 50.1° | 162.5° |
| C29 | C28 | H41 | H40 | 118.6° | 118.3° |
| C28 | C29 | C27 | H39 | 156.6° | 25.6° |
| C28 | C29 | C27 | H38 | 85.1° | 146.2° |
| C28 | C29 | H43 | H42 | 117.7° | 118.5° |
| H5 | C4 | C5 | H8 | 168.8° | 60.7° |
| H5 | C4 | C5 | H7 | 50.4° | 59.3° |
| H5 | C4 | C3 | H4 | 173.0° | 60.3° |
| H6 | C4 | C5 | H8 | 49.6° | 59.2° |
| H6 | C4 | C5 | H7 | 68.8° | 179.2° |
| H6 | C4 | C3 | H4 | 53.8° | 179.7° |
| H13 | C13 | C12 | H10 | 143.3° | 26.7° |
| H13 | C13 | C12 | H11 | 22.6° | 96.9° |
| H12 | C13 | C12 | H10 | 21.4° | 148.8° |
| H12 | C13 | C12 | H11 | 99.2° | 25.2° |
| H26 | C20 | H25 | H24 | 120.0° | 120.0° |
| H29 | C22 | H30 | H28 | 120.0° | 120.0° |
| H29 | C22 | C3 | H4 | 61.4° | 60.1° |
| H30 | C22 | C3 | H4 | 178.6° | 60.0° |
| H28 | C22 | C3 | H4 | 58.6° | 180.0° |
| H32 | C24 | C23 | H31 | 178.7° | 160.5° |
| H32 | C24 | C25 | H35 | 88.7° | 61.9° |
| H32 | C24 | C25 | H34 | 152.6° | 179.6° |
| H33 | C24 | C23 | H31 | 62.7° | 80.9° |
| H33 | C24 | C25 | H35 | 29.8° | 56.6° |
| H33 | C24 | C25 | H34 | 88.9° | 61.9° |
| H36 | C26 | C28 | H41 | 71.3° | 160.1° |
| H36 | C26 | C28 | H40 | 47.7° | 41.6° |
| H36 | C26 | C23 | H31 | 44.9° | 146.4° |
| H37 | C26 | C28 | H41 | 170.6° | 41.6° |
| H37 | C26 | C28 | H40 | 70.4° | 76.8° |
| H37 | C26 | C23 | H31 | 163.1° | 95.2° |
| H41 | C28 | C29 | H43 | 151.0° | 41.8° |
| H41 | C28 | C29 | H42 | 90.5° | 76.6° |
| H40 | C28 | C29 | H43 | 89.9° | 160.1° |
| H40 | C28 | C29 | H42 | 28.6° | 41.7° |
| H27 | N | C23 | H31 | 169.1° | 145.5° |
| H | C1 | C2 | H2 | 58.1° | 59.3° |
| H | C1 | C2 | H3 | 61.2° | 60.7° |
| H1 | C1 | C2 | H2 | 177.4° | 179.3° |
| H1 | C1 | C2 | H3 | 58.0° | 59.3° |
| H16 | C14 | H15 | H14 | 120.0° | 120.0° |
| H19 | C18 | H20 | H18 | 120.0° | 120.0° |
| H22 | C19 | H21 | H23 | 120.0° | 120.0° |
| H2 | C2 | C3 | H4 | 177.8° | 179.6° |
| H3 | C2 | C3 | H4 | 58.4° | 60.3° |
| H35 | C25 | C27 | H39 | 45.2° | 81.0° |
| H35 | C25 | C27 | H38 | 73.1° | 39.6° |
| H34 | C25 | C27 | H39 | 163.9° | 160.4° |
| H34 | C25 | C27 | H38 | 45.6° | 79.0° |
| H39 | C27 | C29 | H43 | 35.8° | 146.3° |
| H39 | C27 | C29 | H42 | 82.7° | 95.2° |
| H38 | C27 | C29 | H43 | 154.2° | 93.1° |
| H38 | C27 | C29 | H42 | 35.7° | 25.4° |
