A1ASN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C30 | sing | 1.53Å | 1.54Å | |
| C30 | C29 | sing | 1.53Å | 1.55Å | |
| C29 | N2 | sing | 1.47Å | 1.14Å | |
| N2 | C28 | sing | 1.48Å | 1.42Å | |
| N2 | C27 | sing | 1.48Å | 1.40Å | |
| C28 | C26 | sing | 1.54Å | 1.42Å | |
| C27 | C26 | sing | 1.54Å | 1.40Å | |
| C26 | C25 | sing | 1.53Å | 1.63Å | |
| C25 | O2 | sing | 1.43Å | 1.40Å | |
| O2 | C22 | sing | 1.36Å | 1.41Å | |
| C22 | C23 | doub | 1.39Å | 1.53Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.33Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.31Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.54Å | Aromatic |
| C24 | C17 | doub | 1.38Å | 1.52Å | Aromatic |
| C20 | C17 | sing | 1.38Å | 1.32Å | Aromatic |
| C17 | C9 | sing | 1.51Å | 1.53Å | |
| C2 | C1 | doub | 1.38Å | 1.32Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.53Å | Aromatic |
| C19 | C8 | sing | 1.53Å | 1.55Å | |
| C19 | C18 | sing | 1.53Å | 1.48Å | |
| C1 | C6 | sing | 1.39Å | 1.53Å | Aromatic |
| O1 | C3 | sing | 1.36Å | 1.40Å | |
| C3 | C4 | doub | 1.38Å | 1.32Å | Aromatic |
| C6 | C9 | sing | 1.51Å | 1.53Å | |
| C6 | C5 | doub | 1.38Å | 1.33Å | Aromatic |
| C9 | N1 | sing | 1.47Å | 1.43Å | |
| C4 | C5 | sing | 1.39Å | 1.53Å | Aromatic |
| C5 | C7 | sing | 1.50Å | 1.53Å | |
| C8 | N1 | sing | 1.47Å | 1.46Å | |
| C8 | C18 | sing | 1.52Å | 1.56Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| N1 | C10 | sing | 1.35Å | 1.47Å | |
| C10 | O3 | doub | 1.22Å | 1.17Å | |
| C10 | C11 | sing | 1.48Å | 1.55Å | |
| C16 | C11 | doub | 1.40Å | 1.53Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.32Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.32Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.53Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.53Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.31Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C9 | H32 | sing | 1.09Å | 1.10Å | |
| O1 | H33 | sing | 0.97Å | 0.95Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C30 | C29 | 109.7° | 109.4° |
| C31 | C30 | H27 | 109.4° | 109.5° |
| C31 | C30 | H28 | 109.4° | 109.5° |
| C30 | C31 | H29 | 109.5° | 109.4° |
| C30 | C31 | H30 | 109.5° | 109.5° |
| C30 | C31 | H31 | 109.5° | 109.5° |
| C30 | C29 | N2 | 109.9° | 109.5° |
| C30 | C29 | H25 | 109.3° | 109.5° |
| C30 | C29 | H26 | 109.3° | 109.5° |
| C29 | C30 | H27 | 109.4° | 109.4° |
| C29 | C30 | H28 | 109.4° | 109.5° |
| C29 | N2 | C28 | 112.1° | 111.0° |
| C29 | N2 | C27 | 110.4° | 111.0° |
| N2 | C29 | H25 | 109.4° | 109.5° |
| N2 | C29 | H26 | 109.4° | 109.4° |
| C28 | N2 | C27 | 98.2° | 90.8° |
| N2 | C28 | C26 | 71.5° | 86.2° |
| N2 | C28 | H9 | 117.9° | 113.7° |
| N2 | C28 | H10 | 118.0° | 113.8° |
| N2 | C27 | C26 | 72.7° | 86.1° |
| N2 | C27 | H23 | 117.7° | 113.8° |
| N2 | C27 | H24 | 117.7° | 113.9° |
| C28 | C26 | C27 | 98.6° | 86.5° |
| C28 | C26 | C25 | 114.1° | 113.7° |
| C26 | C28 | H9 | 118.0° | 113.8° |
| C26 | C28 | H10 | 117.9° | 113.7° |
| C28 | C26 | H34 | 111.1° | 113.8° |
| C27 | C26 | C25 | 113.3° | 113.7° |
| C26 | C27 | H23 | 117.7° | 113.8° |
| C26 | C27 | H24 | 117.7° | 113.7° |
| C27 | C26 | H34 | 111.4° | 113.8° |
| C26 | C25 | O2 | 108.2° | 109.5° |
| C26 | C25 | H21 | 109.8° | 109.4° |
| C26 | C25 | H22 | 109.8° | 109.5° |
| C25 | C26 | H34 | 108.2° | 112.9° |
| C25 | O2 | C22 | 115.9° | 117.0° |
| O2 | C25 | H21 | 109.8° | 109.5° |
| O2 | C25 | H22 | 109.8° | 109.5° |
| O2 | C22 | C23 | 117.5° | 120.0° |
| O2 | C22 | C21 | 122.5° | 120.1° |
| C23 | C22 | C21 | 120.0° | 119.9° |
| C22 | C23 | C24 | 120.3° | 119.9° |
| C22 | C23 | H20 | 119.8° | 120.0° |
| C22 | C21 | C20 | 119.6° | 120.0° |
| C22 | C21 | H7 | 120.2° | 120.0° |
| C23 | C24 | C17 | 120.1° | 120.1° |
| C23 | C24 | H8 | 120.0° | 120.0° |
| C24 | C23 | H20 | 119.9° | 120.0° |
| C21 | C20 | C17 | 119.6° | 120.1° |
| C21 | C20 | H6 | 120.2° | 120.0° |
| C20 | C21 | H7 | 120.2° | 120.0° |
| C24 | C17 | C20 | 120.5° | 120.1° |
| C24 | C17 | C9 | 118.2° | 120.0° |
| C17 | C24 | H8 | 120.0° | 119.9° |
| C20 | C17 | C9 | 121.4° | 120.0° |
| C17 | C20 | H6 | 120.2° | 119.9° |
| C17 | C9 | C6 | 108.9° | 109.3° |
| C17 | C9 | N1 | 113.2° | 109.3° |
| C17 | C9 | H32 | 108.5° | 109.2° |
| C1 | C2 | C3 | 120.3° | 119.6° |
| C2 | C1 | C6 | 120.0° | 120.9° |
| C2 | C1 | H11 | 120.0° | 119.6° |
| C1 | C2 | H19 | 119.9° | 120.2° |
| C2 | C3 | O1 | 119.6° | 120.2° |
| C2 | C3 | C4 | 120.1° | 119.5° |
| C3 | C2 | H19 | 119.8° | 120.2° |
| C8 | C19 | C18 | 61.9° | 59.9° |
| C19 | C8 | N1 | 128.5° | 118.0° |
| C19 | C8 | C18 | 56.7° | 60.3° |
| C19 | C8 | C7 | 113.7° | 118.7° |
| C8 | C19 | H17 | 119.7° | 117.5° |
| C8 | C19 | H18 | 119.7° | 117.5° |
| C19 | C18 | C8 | 61.4° | 59.9° |
| C19 | C18 | H15 | 119.8° | 117.5° |
| C19 | C18 | H16 | 119.8° | 117.5° |
| C18 | C19 | H17 | 119.7° | 117.5° |
| C18 | C19 | H18 | 119.7° | 117.5° |
| C1 | C6 | C9 | 115.1° | 117.0° |
| C1 | C6 | C5 | 120.0° | 119.5° |
| C6 | C1 | H11 | 120.0° | 119.6° |
| O1 | C3 | C4 | 120.3° | 120.3° |
| C3 | O1 | H33 | 109.5° | 114.0° |
| C3 | C4 | C5 | 119.8° | 120.7° |
| C3 | C4 | H1 | 120.1° | 119.6° |
| C9 | C6 | C5 | 124.9° | 123.5° |
| C6 | C9 | N1 | 107.8° | 110.5° |
| C6 | C9 | H32 | 108.6° | 109.3° |
| C6 | C5 | C4 | 119.8° | 119.7° |
| C6 | C5 | C7 | 122.6° | 123.3° |
| C9 | N1 | C8 | 120.3° | 116.6° |
| C9 | N1 | C10 | 115.9° | 121.7° |
| N1 | C9 | H32 | 109.9° | 109.3° |
| C4 | C5 | C7 | 117.6° | 117.0° |
| C5 | C4 | H1 | 120.1° | 119.7° |
| C5 | C7 | C8 | 109.0° | 110.3° |
| C5 | C7 | H2 | 109.6° | 109.3° |
| C5 | C7 | H3 | 109.6° | 109.4° |
| N1 | C8 | C18 | 134.9° | 117.9° |
| N1 | C8 | C7 | 109.2° | 113.5° |
| C8 | N1 | C10 | 123.9° | 121.7° |
| C18 | C8 | C7 | 104.6° | 118.6° |
| C8 | C18 | H15 | 119.8° | 117.5° |
| C8 | C18 | H16 | 119.8° | 117.5° |
| C8 | C7 | H2 | 109.6° | 109.0° |
| C8 | C7 | H3 | 109.6° | 109.4° |
| N1 | C10 | O3 | 118.3° | 120.0° |
| N1 | C10 | C11 | 122.2° | 120.0° |
| O3 | C10 | C11 | 119.3° | 120.0° |
| C10 | C11 | C16 | 124.6° | 120.1° |
| C10 | C11 | C12 | 114.1° | 120.2° |
| C11 | C16 | C15 | 118.2° | 119.8° |
| C16 | C11 | C12 | 121.1° | 119.7° |
| C11 | C16 | H14 | 120.9° | 120.1° |
| C16 | C15 | C14 | 120.8° | 120.2° |
| C16 | C15 | H5 | 119.6° | 119.9° |
| C15 | C16 | H14 | 120.9° | 120.1° |
| C11 | C12 | C13 | 120.5° | 119.8° |
| C11 | C12 | H12 | 119.8° | 120.1° |
| C15 | C14 | C13 | 120.9° | 120.3° |
| C14 | C15 | H5 | 119.6° | 119.9° |
| C15 | C14 | H13 | 119.6° | 119.9° |
| C12 | C13 | C14 | 118.5° | 120.2° |
| C12 | C13 | H4 | 120.8° | 119.9° |
| C13 | C12 | H12 | 119.7° | 120.1° |
| C14 | C13 | H4 | 120.8° | 119.9° |
| C13 | C14 | H13 | 119.6° | 119.9° |
| H2 | C7 | H3 | 109.5° | 109.4° |
| H9 | C28 | H10 | 109.4° | 113.0° |
| H15 | C18 | H16 | 109.5° | 115.6° |
| H17 | C19 | H18 | 109.5° | 115.6° |
| H21 | C25 | H22 | 109.5° | 109.4° |
| H23 | C27 | H24 | 109.5° | 113.0° |
| H25 | C29 | H26 | 109.5° | 109.5° |
| H27 | C30 | H28 | 109.5° | 109.5° |
| H29 | C31 | H30 | 109.4° | 109.4° |
| H29 | C31 | H31 | 109.5° | 109.5° |
| H30 | C31 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C30 | C29 | H27 | 120.1° | 120.0° |
| C31 | C30 | C29 | H28 | 120.0° | 120.0° |
| C31 | C30 | C29 | N2 | 136.4° | 180.0° |
| C31 | C30 | C29 | H25 | 16.3° | 60.0° |
| C31 | C30 | C29 | H26 | 103.6° | 60.0° |
| C31 | C30 | H27 | H28 | 119.9° | 120.1° |
| C30 | C31 | H29 | H30 | 120.0° | 119.9° |
| C30 | C31 | H29 | H31 | 120.0° | 120.0° |
| C30 | C31 | H30 | H31 | 120.0° | 120.1° |
| C30 | C29 | N2 | H25 | 120.1° | 120.0° |
| C30 | C29 | N2 | H26 | 120.0° | 120.0° |
| C30 | C29 | N2 | C28 | 82.5° | 170.0° |
| C30 | C29 | N2 | C27 | 169.1° | 90.6° |
| C30 | C29 | H25 | H26 | 119.8° | 120.0° |
| C29 | C30 | H27 | H28 | 119.9° | 120.0° |
| C29 | C30 | C31 | H29 | 180.0° | 180.0° |
| C29 | C30 | C31 | H30 | 60.0° | 60.0° |
| C29 | C30 | C31 | H31 | 60.0° | 60.0° |
| C29 | N2 | C28 | C27 | 116.0° | 112.9° |
| C29 | N2 | C28 | C26 | 148.3° | 137.6° |
| C29 | N2 | C27 | C26 | 149.9° | 137.5° |
| C29 | N2 | C28 | H9 | 35.8° | 108.1° |
| C29 | N2 | C28 | H10 | 99.3° | 23.2° |
| C29 | N2 | C27 | H23 | 97.4° | 23.2° |
| C29 | N2 | C27 | H24 | 37.1° | 108.2° |
| N2 | C29 | H25 | H26 | 119.8° | 120.0° |
| N2 | C29 | C30 | H27 | 103.6° | 60.0° |
| N2 | C29 | C30 | H28 | 16.3° | 60.0° |
| N2 | C28 | C26 | H9 | 112.4° | 114.3° |
| N2 | C28 | C26 | H10 | 112.5° | 114.4° |
| C28 | N2 | C27 | C26 | 32.5° | 24.6° |
| N2 | C28 | C26 | C25 | 152.7° | 138.1° |
| N2 | C28 | H9 | H10 | 138.6° | 131.8° |
| C28 | N2 | C27 | H23 | 145.2° | 89.7° |
| C28 | N2 | C27 | H24 | 80.3° | 138.9° |
| C28 | N2 | C29 | H25 | 157.5° | 70.0° |
| C28 | N2 | C29 | H26 | 37.6° | 50.0° |
| N2 | C28 | C26 | H34 | 84.6° | 90.8° |
| N2 | C27 | C26 | H23 | 112.7° | 114.3° |
| N2 | C27 | C26 | H24 | 112.7° | 114.4° |
| N2 | C27 | C26 | C25 | 153.7° | 138.1° |
| C27 | N2 | C28 | H9 | 80.2° | 139.0° |
| C27 | N2 | C28 | H10 | 144.7° | 89.7° |
| N2 | C27 | H23 | H24 | 138.0° | 131.9° |
| C27 | N2 | C29 | H25 | 49.0° | 29.4° |
| C27 | N2 | C29 | H26 | 70.9° | 149.4° |
| N2 | C27 | C26 | H34 | 84.0° | 90.8° |
| C28 | C26 | C27 | C25 | 121.0° | 114.4° |
| C28 | C26 | C27 | H34 | 116.8° | 114.5° |
| C28 | C26 | C25 | H34 | 124.2° | 131.6° |
| C28 | C26 | C25 | O2 | 42.9° | 176.9° |
| C26 | C28 | H9 | H10 | 138.6° | 131.7° |
| C28 | C26 | C25 | H21 | 162.7° | 63.1° |
| C28 | C26 | C25 | H22 | 76.9° | 56.9° |
| C28 | C26 | C27 | H23 | 145.5° | 90.7° |
| C28 | C26 | C27 | H24 | 80.0° | 138.1° |
| C27 | C26 | C25 | H34 | 124.0° | 131.5° |
| C27 | C26 | C25 | O2 | 154.7° | 86.3° |
| C27 | C26 | C28 | H9 | 80.1° | 138.0° |
| C27 | C26 | C28 | H10 | 144.8° | 90.7° |
| C27 | C26 | C25 | H21 | 85.5° | 33.8° |
| C27 | C26 | C25 | H22 | 34.9° | 153.7° |
| C26 | C27 | H23 | H24 | 138.0° | 131.6° |
| C26 | C25 | O2 | H21 | 119.8° | 120.0° |
| C26 | C25 | O2 | H22 | 119.8° | 120.0° |
| C26 | C25 | O2 | C22 | 126.0° | 180.0° |
| C25 | C26 | C28 | H9 | 40.3° | 107.6° |
| C25 | C26 | C28 | H10 | 94.8° | 23.7° |
| C26 | C25 | H21 | H22 | 120.6° | 119.9° |
| C25 | C26 | C27 | H23 | 93.5° | 23.7° |
| C25 | C26 | C27 | H24 | 41.0° | 107.5° |
| C25 | O2 | C22 | C23 | 164.6° | 180.0° |
| C25 | O2 | C22 | C21 | 15.7° | 0.3° |
| O2 | C25 | H21 | H22 | 120.6° | 120.0° |
| O2 | C25 | C26 | H34 | 81.3° | 45.3° |
| O2 | C22 | C23 | C21 | 179.7° | 179.7° |
| O2 | C22 | C23 | C24 | 179.9° | 180.0° |
| O2 | C22 | C21 | C20 | 179.5° | 179.7° |
| O2 | C22 | C21 | H7 | 0.5° | 0.3° |
| O2 | C22 | C23 | H20 | 0.1° | 0.3° |
| C22 | O2 | C25 | H21 | 6.2° | 60.0° |
| C22 | O2 | C25 | H22 | 114.2° | 60.0° |
| C22 | C23 | C24 | H20 | 180.0° | 179.7° |
| C23 | C22 | C21 | C20 | 0.1° | 0.0° |
| C22 | C23 | C24 | C17 | 0.6° | 0.6° |
| C23 | C22 | C21 | H7 | 179.8° | 180.0° |
| C22 | C23 | C24 | H8 | 179.4° | 179.8° |
| C21 | C22 | C23 | C24 | 0.2° | 0.3° |
| C22 | C21 | C20 | H7 | 180.0° | 179.9° |
| C22 | C21 | C20 | C17 | 0.1° | 0.1° |
| C22 | C21 | C20 | H6 | 180.0° | 180.0° |
| C21 | C22 | C23 | H20 | 179.8° | 180.0° |
| C23 | C24 | C17 | H8 | 180.0° | 179.7° |
| C23 | C24 | C17 | C20 | 0.7° | 0.5° |
| C23 | C24 | C17 | C9 | 179.6° | 179.7° |
| C21 | C20 | C17 | C24 | 0.3° | 0.2° |
| C21 | C20 | C17 | H6 | 180.0° | 180.0° |
| C21 | C20 | C17 | C9 | 179.2° | 179.9° |
| C24 | C17 | C20 | C9 | 178.9° | 179.7° |
| C24 | C17 | C9 | C6 | 37.2° | 53.0° |
| C24 | C17 | C9 | N1 | 82.6° | 68.0° |
| C24 | C17 | C20 | H6 | 179.7° | 179.7° |
| C17 | C24 | C23 | H20 | 179.4° | 179.7° |
| C24 | C17 | C9 | H32 | 155.2° | 172.5° |
| C20 | C17 | C9 | C6 | 141.7° | 126.7° |
| C20 | C17 | C9 | N1 | 98.5° | 112.3° |
| C17 | C20 | C21 | H7 | 179.9° | 180.0° |
| C20 | C17 | C24 | H8 | 179.4° | 179.8° |
| C20 | C17 | C9 | H32 | 23.7° | 7.2° |
| C17 | C9 | C6 | C1 | 64.7° | 73.1° |
| C17 | C9 | C6 | N1 | 123.1° | 120.3° |
| C17 | C9 | C6 | H32 | 117.9° | 119.4° |
| C17 | C9 | C6 | C5 | 114.8° | 106.6° |
| C17 | C9 | N1 | H32 | 121.4° | 119.4° |
| C17 | C9 | N1 | C8 | 80.2° | 79.2° |
| C17 | C9 | N1 | C10 | 100.4° | 101.1° |
| C9 | C17 | C20 | H6 | 0.8° | 0.0° |
| C9 | C17 | C24 | H8 | 0.4° | 0.1° |
| C1 | C2 | C3 | H19 | 180.0° | 179.9° |
| C2 | C1 | C6 | H11 | 180.0° | 179.9° |
| C1 | C2 | C3 | O1 | 179.8° | 179.5° |
| C1 | C2 | C3 | C4 | 0.3° | 0.5° |
| C2 | C1 | C6 | C9 | 179.0° | 179.2° |
| C2 | C1 | C6 | C5 | 0.5° | 0.5° |
| C3 | C2 | C1 | C6 | 0.5° | 0.1° |
| C2 | C3 | O1 | C4 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.2° |
| C2 | C3 | C4 | H1 | 179.9° | 179.5° |
| C3 | C2 | C1 | H11 | 179.5° | 180.0° |
| C2 | C3 | O1 | H33 | 180.0° | 90.0° |
| C8 | C19 | C18 | H17 | 110.0° | 107.4° |
| C8 | C19 | C18 | H18 | 110.0° | 107.4° |
| C19 | C8 | N1 | C9 | 82.6° | 88.1° |
| C19 | C8 | C7 | C5 | 104.2° | 104.6° |
| C19 | C8 | N1 | C18 | 78.6° | 69.3° |
| C19 | C8 | N1 | C7 | 145.0° | 145.5° |
| C19 | C8 | C18 | C7 | 109.0° | 108.5° |
| C19 | C8 | N1 | C10 | 98.1° | 92.2° |
| C19 | C8 | C7 | H2 | 15.7° | 15.4° |
| C19 | C8 | C7 | H3 | 135.8° | 135.0° |
| C8 | C19 | C18 | H15 | 109.9° | 107.5° |
| C8 | C19 | C18 | H16 | 109.9° | 107.5° |
| C8 | C19 | H17 | H18 | 143.7° | 145.8° |
| C19 | C18 | H15 | H16 | 144.0° | 145.7° |
| C18 | C19 | H17 | H18 | 143.7° | 145.8° |
| C1 | C6 | C9 | C5 | 179.5° | 179.7° |
| C1 | C6 | C9 | N1 | 172.2° | 166.6° |
| C1 | C6 | C5 | C4 | 0.3° | 0.8° |
| C1 | C6 | C5 | C7 | 179.5° | 178.3° |
| C6 | C1 | C2 | H19 | 179.6° | 180.0° |
| C1 | C6 | C9 | H32 | 53.3° | 46.3° |
| O1 | C3 | C4 | C5 | 180.0° | 179.8° |
| O1 | C3 | C4 | H1 | 0.0° | 0.5° |
| O1 | C3 | C2 | H19 | 0.2° | 0.4° |
| C3 | C4 | C5 | C6 | 0.1° | 0.4° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | C7 | 179.7° | 178.7° |
| C4 | C3 | C2 | H19 | 179.8° | 179.6° |
| C4 | C3 | O1 | H33 | 0.1° | 90.0° |
| C6 | C9 | N1 | H32 | 118.1° | 120.2° |
| C9 | C6 | C5 | C4 | 179.2° | 179.0° |
| C9 | C6 | C5 | C7 | 1.0° | 2.0° |
| C6 | C9 | N1 | C8 | 40.2° | 41.1° |
| C6 | C9 | N1 | C10 | 139.1° | 138.6° |
| C9 | C6 | C1 | H11 | 1.0° | 0.9° |
| C5 | C6 | C9 | N1 | 8.3° | 13.7° |
| C6 | C5 | C4 | C7 | 179.8° | 179.1° |
| C6 | C5 | C7 | C8 | 20.8° | 15.1° |
| C6 | C5 | C4 | H1 | 179.9° | 179.9° |
| C6 | C5 | C7 | H2 | 140.7° | 134.9° |
| C6 | C5 | C7 | H3 | 99.1° | 105.4° |
| C5 | C6 | C1 | H11 | 179.5° | 179.4° |
| C5 | C6 | C9 | H32 | 127.2° | 134.0° |
| C9 | N1 | C8 | C10 | 179.3° | 179.7° |
| C9 | N1 | C8 | C18 | 161.2° | 157.4° |
| C9 | N1 | C8 | C7 | 62.4° | 57.4° |
| C9 | N1 | C10 | O3 | 0.2° | 177.0° |
| C9 | N1 | C10 | C11 | 175.1° | 3.1° |
| C4 | C5 | C7 | C8 | 159.4° | 165.9° |
| C4 | C5 | C7 | H2 | 39.5° | 46.0° |
| C4 | C5 | C7 | H3 | 80.6° | 73.7° |
| C5 | C7 | C8 | N1 | 46.4° | 40.6° |
| C5 | C7 | C8 | C18 | 163.9° | 174.3° |
| C5 | C7 | C8 | H2 | 119.9° | 120.0° |
| C5 | C7 | C8 | H3 | 120.0° | 120.4° |
| C7 | C5 | C4 | H1 | 0.3° | 1.0° |
| C5 | C7 | H2 | H3 | 120.3° | 119.7° |
| N1 | C8 | C18 | C7 | 137.7° | 143.5° |
| C8 | N1 | C10 | O3 | 179.5° | 3.3° |
| C8 | N1 | C10 | C11 | 4.2° | 176.6° |
| N1 | C8 | C7 | H2 | 166.4° | 160.7° |
| N1 | C8 | C7 | H3 | 73.5° | 79.7° |
| N1 | C8 | C18 | H15 | 3.5° | 144.6° |
| N1 | C8 | C18 | H16 | 136.8° | 0.6° |
| N1 | C8 | C19 | H17 | 13.8° | 0.5° |
| N1 | C8 | C19 | H18 | 126.2° | 144.6° |
| C8 | N1 | C9 | H32 | 158.3° | 161.3° |
| C18 | C8 | N1 | C10 | 19.5° | 23.0° |
| C18 | C8 | C7 | H2 | 44.0° | 54.3° |
| C18 | C8 | C7 | H3 | 76.1° | 65.3° |
| C8 | C18 | H15 | H16 | 144.0° | 145.8° |
| C7 | C8 | N1 | C10 | 116.9° | 122.3° |
| C8 | C7 | H2 | H3 | 120.2° | 119.6° |
| C7 | C8 | C18 | H15 | 141.2° | 1.1° |
| C7 | C8 | C18 | H16 | 0.9° | 144.1° |
| C7 | C8 | C19 | H17 | 157.6° | 144.2° |
| C7 | C8 | C19 | H18 | 17.6° | 0.9° |
| N1 | C10 | O3 | C11 | 175.5° | 179.9° |
| N1 | C10 | C11 | C16 | 113.6° | 62.8° |
| N1 | C10 | C11 | C12 | 69.5° | 117.2° |
| C10 | N1 | C9 | H32 | 21.0° | 18.4° |
| O3 | C10 | C11 | C16 | 71.1° | 117.2° |
| O3 | C10 | C11 | C12 | 105.8° | 62.7° |
| C10 | C11 | C16 | C12 | 176.7° | 180.0° |
| C10 | C11 | C16 | C15 | 178.4° | 179.7° |
| C10 | C11 | C12 | C13 | 178.8° | 180.0° |
| C10 | C11 | C12 | H12 | 1.2° | 0.1° |
| C10 | C11 | C16 | H14 | 1.7° | 0.0° |
| C11 | C16 | C15 | H14 | 180.0° | 179.7° |
| C11 | C16 | C15 | C14 | 0.7° | 0.3° |
| C16 | C11 | C12 | C13 | 1.8° | 0.0° |
| C11 | C16 | C15 | H5 | 179.3° | 179.7° |
| C16 | C11 | C12 | H12 | 178.2° | 179.9° |
| C15 | C16 | C11 | C12 | 1.7° | 0.3° |
| C16 | C15 | C14 | H5 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.0° | 0.0° |
| C16 | C15 | C14 | H13 | 180.0° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 1.0° | 0.3° |
| C11 | C12 | C13 | H4 | 178.9° | 180.0° |
| C12 | C11 | C16 | H14 | 178.4° | 180.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.3° |
| C15 | C14 | C13 | H13 | 180.0° | 179.9° |
| C15 | C14 | C13 | H4 | 179.9° | 179.9° |
| C14 | C15 | C16 | H14 | 179.3° | 180.0° |
| C12 | C13 | C14 | H4 | 180.0° | 179.7° |
| C12 | C13 | C14 | H13 | 179.9° | 179.7° |
| C13 | C14 | C15 | H5 | 180.0° | 180.0° |
| C14 | C13 | C12 | H12 | 179.0° | 179.8° |
| H4 | C13 | C12 | H12 | 1.1° | 0.1° |
| H4 | C13 | C14 | H13 | 0.1° | 0.0° |
| H5 | C15 | C14 | H13 | 0.0° | 0.0° |
| H5 | C15 | C16 | H14 | 0.7° | 0.0° |
| H6 | C20 | C21 | H7 | 0.1° | 0.0° |
| H8 | C24 | C23 | H20 | 0.6° | 0.1° |
| H9 | C28 | C26 | H34 | 162.9° | 23.5° |
| H10 | C28 | C26 | H34 | 27.8° | 154.8° |
| H11 | C1 | C2 | H19 | 0.5° | 0.1° |
| H15 | C18 | C19 | H17 | 0.1° | 145.1° |
| H15 | C18 | C19 | H18 | 140.2° | 0.0° |
| H16 | C18 | C19 | H17 | 140.2° | 0.1° |
| H16 | C18 | C19 | H18 | 0.1° | 145.1° |
| H21 | C25 | C26 | H34 | 38.5° | 165.3° |
| H22 | C25 | C26 | H34 | 158.9° | 74.7° |
| H23 | C27 | C26 | H34 | 28.7° | 154.8° |
| H24 | C27 | C26 | H34 | 163.2° | 23.6° |
| H25 | C29 | C30 | H27 | 136.4° | 60.0° |
| H25 | C29 | C30 | H28 | 103.7° | 180.0° |
| H26 | C29 | C30 | H27 | 16.5° | 180.0° |
| H26 | C29 | C30 | H28 | 136.4° | 60.0° |
| H27 | C30 | C31 | H29 | 59.9° | 60.1° |
| H27 | C30 | C31 | H30 | 60.0° | 180.0° |
| H27 | C30 | C31 | H31 | 179.9° | 59.9° |
| H28 | C30 | C31 | H29 | 60.0° | 60.0° |
| H28 | C30 | C31 | H30 | 180.0° | 59.9° |
| H28 | C30 | C31 | H31 | 60.0° | 180.0° |
| H29 | C31 | H30 | H31 | 120.0° | 120.0° |
