A1AI0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C13 | sing | 1.46Å | 1.46Å | |
| N1 | C12 | sing | 1.46Å | 1.47Å | |
| N1 | C14 | sing | 1.40Å | 1.46Å | |
| C4 | C5 | doub | 1.38Å | 1.31Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.52Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.53Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.58Å | |
| C6 | C1 | doub | 1.38Å | 1.31Å | Aromatic |
| C6 | F2 | sing | 1.35Å | 1.32Å | |
| C7 | C8 | sing | 1.54Å | 1.51Å | |
| C7 | C11 | sing | 1.54Å | 1.52Å | |
| C7 | C12 | sing | 1.53Å | 1.60Å | |
| C8 | C9 | sing | 1.55Å | 1.54Å | |
| C10 | C9 | sing | 1.55Å | 1.54Å | |
| C10 | C11 | sing | 1.54Å | 1.54Å | |
| C13 | C15 | sing | 1.51Å | 1.55Å | |
| C15 | C20 | doub | 1.38Å | 1.50Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.30Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.53Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.28Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.32Å | Aromatic |
| C20 | CL1 | sing | 1.74Å | 1.77Å | |
| C21 | C22 | doub | 1.38Å | 1.52Å | Aromatic |
| C21 | C14 | sing | 1.39Å | 1.30Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.34Å | Aromatic |
| C24 | C23 | doub | 1.39Å | 1.51Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.30Å | Aromatic |
| C26 | C28 | sing | 1.54Å | 1.40Å | |
| C26 | O2 | sing | 1.43Å | 1.48Å | |
| C26 | C27 | sing | 1.54Å | 1.37Å | |
| C28 | N2 | sing | 1.48Å | 1.36Å | |
| C1 | C2 | sing | 1.38Å | 1.49Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.30Å | Aromatic |
| C14 | C25 | doub | 1.39Å | 1.53Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.50Å | Aromatic |
| C19 | O1 | sing | 1.36Å | 1.33Å | |
| C23 | O2 | sing | 1.36Å | 1.41Å | |
| C27 | N2 | sing | 1.48Å | 1.35Å | |
| N2 | C29 | sing | 1.47Å | 1.10Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | F1 | sing | 1.40Å | 1.36Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| C24 | H11 | sing | 1.08Å | 1.08Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.08Å | 1.08Å | |
| C2 | H16 | sing | 1.08Å | 1.08Å | |
| C3 | H17 | sing | 1.08Å | 1.08Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.08Å | 1.08Å | |
| C18 | H25 | sing | 1.08Å | 1.08Å | |
| O1 | H26 | sing | 0.97Å | 0.95Å | |
| C25 | H27 | sing | 1.08Å | 1.08Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | N1 | C12 | 119.0° | 120.0° |
| C13 | N1 | C14 | 118.5° | 120.0° |
| N1 | C13 | C15 | 112.9° | 109.5° |
| N1 | C13 | H6 | 108.6° | 109.5° |
| N1 | C13 | H7 | 108.6° | 109.5° |
| C12 | N1 | C14 | 122.5° | 120.0° |
| N1 | C12 | C7 | 114.6° | 109.5° |
| N1 | C12 | H22 | 108.2° | 109.5° |
| N1 | C12 | H23 | 108.1° | 109.5° |
| N1 | C14 | C21 | 123.1° | 120.0° |
| N1 | C14 | C25 | 118.8° | 120.0° |
| C5 | C4 | C3 | 121.5° | 120.0° |
| C4 | C5 | C6 | 117.3° | 119.9° |
| C4 | C5 | C7 | 121.6° | 120.0° |
| C5 | C4 | H1 | 119.3° | 120.0° |
| C4 | C3 | C2 | 120.3° | 120.1° |
| C3 | C4 | H1 | 119.3° | 120.0° |
| C4 | C3 | H17 | 119.9° | 119.9° |
| C6 | C5 | C7 | 121.1° | 120.0° |
| C5 | C6 | C1 | 120.8° | 120.0° |
| C5 | C6 | F2 | 121.1° | 120.0° |
| C5 | C7 | C8 | 112.6° | 110.0° |
| C5 | C7 | C11 | 108.4° | 110.0° |
| C5 | C7 | C12 | 113.7° | 110.0° |
| C1 | C6 | F2 | 118.0° | 120.0° |
| C6 | C1 | C2 | 121.0° | 119.9° |
| C6 | C1 | H15 | 119.5° | 120.1° |
| C8 | C7 | C11 | 106.3° | 106.6° |
| C8 | C7 | C12 | 107.8° | 110.1° |
| C7 | C8 | C9 | 104.1° | 104.2° |
| C7 | C8 | H2 | 110.8° | 110.5° |
| C7 | C8 | H3 | 110.8° | 110.5° |
| C11 | C7 | C12 | 107.8° | 110.1° |
| C7 | C11 | C10 | 104.8° | 106.6° |
| C7 | C11 | H20 | 110.6° | 110.0° |
| C7 | C11 | H21 | 110.6° | 110.1° |
| C7 | C12 | H22 | 108.2° | 109.5° |
| C7 | C12 | H23 | 108.2° | 109.5° |
| C8 | C9 | C10 | 108.7° | 102.8° |
| C9 | C8 | H2 | 110.8° | 110.5° |
| C9 | C8 | H3 | 110.8° | 110.5° |
| C8 | C9 | H18 | 109.7° | 110.7° |
| C8 | C9 | H19 | 109.7° | 110.7° |
| C9 | C10 | C11 | 104.2° | 104.2° |
| C9 | C10 | H4 | 110.8° | 110.5° |
| C9 | C10 | H5 | 110.8° | 110.5° |
| C10 | C9 | H18 | 109.7° | 110.8° |
| C10 | C9 | H19 | 109.7° | 110.8° |
| C11 | C10 | H4 | 110.8° | 110.4° |
| C11 | C10 | H5 | 110.7° | 110.5° |
| C10 | C11 | H20 | 110.6° | 110.0° |
| C10 | C11 | H21 | 110.6° | 110.1° |
| C13 | C15 | C20 | 119.2° | 120.0° |
| C13 | C15 | C16 | 121.9° | 119.9° |
| C15 | C13 | H6 | 108.6° | 109.4° |
| C15 | C13 | H7 | 108.6° | 109.5° |
| C20 | C15 | C16 | 119.0° | 120.0° |
| C15 | C20 | C19 | 117.3° | 120.0° |
| C15 | C20 | CL1 | 120.8° | 120.0° |
| C15 | C16 | C17 | 122.9° | 120.1° |
| C15 | C16 | H24 | 118.6° | 119.9° |
| C16 | C17 | C18 | 118.3° | 120.1° |
| C16 | C17 | H8 | 120.8° | 119.9° |
| C17 | C16 | H24 | 118.6° | 120.0° |
| C17 | C18 | C19 | 119.0° | 120.0° |
| C18 | C17 | H8 | 120.9° | 120.0° |
| C17 | C18 | H25 | 120.5° | 120.0° |
| C19 | C20 | CL1 | 121.8° | 120.0° |
| C20 | C19 | C18 | 123.5° | 119.9° |
| C20 | C19 | O1 | 121.4° | 120.1° |
| C22 | C21 | C14 | 119.8° | 120.0° |
| C21 | C22 | C23 | 121.8° | 120.0° |
| C22 | C21 | H9 | 120.1° | 120.0° |
| C21 | C22 | H10 | 119.1° | 120.0° |
| C21 | C14 | C25 | 118.1° | 120.0° |
| C14 | C21 | H9 | 120.1° | 120.1° |
| C22 | C23 | C24 | 118.1° | 120.1° |
| C22 | C23 | O2 | 122.5° | 120.0° |
| C23 | C22 | H10 | 119.1° | 120.0° |
| C23 | C24 | C25 | 119.4° | 120.0° |
| C24 | C23 | O2 | 119.3° | 119.9° |
| C23 | C24 | H11 | 120.3° | 120.0° |
| C24 | C25 | C14 | 122.7° | 120.0° |
| C25 | C24 | H11 | 120.3° | 120.0° |
| C24 | C25 | H27 | 118.6° | 120.0° |
| C28 | C26 | O2 | 114.2° | 113.7° |
| C28 | C26 | C27 | 94.4° | 86.4° |
| C26 | C28 | N2 | 78.0° | 86.2° |
| C28 | C26 | H12 | 114.4° | 113.7° |
| C26 | C28 | H13 | 116.7° | 113.8° |
| C26 | C28 | H14 | 116.6° | 113.8° |
| O2 | C26 | C27 | 104.2° | 113.8° |
| C26 | O2 | C23 | 119.0° | 117.0° |
| O2 | C26 | H12 | 112.9° | 112.9° |
| C26 | C27 | N2 | 79.3° | 86.2° |
| C27 | C26 | H12 | 115.0° | 113.8° |
| C26 | C27 | H28 | 116.4° | 113.7° |
| C26 | C27 | H29 | 116.4° | 113.8° |
| C28 | N2 | C27 | 96.9° | 90.7° |
| C28 | N2 | C29 | 114.1° | 111.0° |
| N2 | C28 | H13 | 116.7° | 113.7° |
| N2 | C28 | H14 | 116.7° | 113.7° |
| C1 | C2 | C3 | 119.1° | 120.0° |
| C2 | C1 | H15 | 119.5° | 120.0° |
| C1 | C2 | H16 | 120.5° | 120.0° |
| C3 | C2 | H16 | 120.4° | 120.0° |
| C2 | C3 | H17 | 119.9° | 120.0° |
| C14 | C25 | H27 | 118.6° | 120.0° |
| C18 | C19 | O1 | 115.1° | 120.1° |
| C19 | C18 | H25 | 120.5° | 120.1° |
| C19 | O1 | H26 | 109.5° | 114.0° |
| C27 | N2 | C29 | 105.1° | 111.0° |
| N2 | C27 | H28 | 116.4° | 113.7° |
| N2 | C27 | H29 | 116.4° | 113.8° |
| N2 | C29 | C30 | 114.0° | 109.5° |
| N2 | C29 | H31 | 108.3° | 109.4° |
| N2 | C29 | H32 | 108.3° | 109.5° |
| C29 | C30 | C31 | 111.5° | 109.5° |
| C30 | C29 | H31 | 108.3° | 109.5° |
| C30 | C29 | H32 | 108.3° | 109.5° |
| C29 | C30 | H33 | 108.9° | 109.5° |
| C29 | C30 | H34 | 109.0° | 109.5° |
| C30 | C31 | F1 | 107.0° | 109.5° |
| C31 | C30 | H33 | 109.0° | 109.4° |
| C31 | C30 | H34 | 108.9° | 109.5° |
| C30 | C31 | H35 | 110.1° | 109.5° |
| C30 | C31 | H36 | 110.1° | 109.5° |
| F1 | C31 | H35 | 110.1° | 109.4° |
| F1 | C31 | H36 | 110.1° | 109.5° |
| H2 | C8 | H3 | 109.4° | 110.6° |
| H4 | C10 | H5 | 109.5° | 110.6° |
| H6 | C13 | H7 | 109.5° | 109.4° |
| H13 | C28 | H14 | 109.5° | 113.0° |
| H18 | C9 | H19 | 109.5° | 110.8° |
| H20 | C11 | H21 | 109.5° | 110.1° |
| H22 | C12 | H23 | 109.5° | 109.4° |
| H28 | C27 | H29 | 109.5° | 113.0° |
| H31 | C29 | H32 | 109.5° | 109.5° |
| H33 | C30 | H34 | 109.5° | 109.4° |
| H35 | C31 | H36 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | N1 | C12 | C14 | 178.8° | 179.7° |
| C13 | N1 | C12 | C7 | 93.9° | 97.1° |
| N1 | C13 | C15 | H6 | 120.5° | 120.0° |
| N1 | C13 | C15 | H7 | 120.5° | 120.0° |
| N1 | C13 | C15 | C20 | 172.3° | 82.5° |
| N1 | C13 | C15 | C16 | 8.1° | 97.8° |
| C13 | N1 | C14 | C21 | 175.7° | 55.8° |
| C13 | N1 | C14 | C25 | 5.5° | 124.2° |
| N1 | C13 | H6 | H7 | 118.4° | 120.0° |
| C13 | N1 | C12 | H22 | 26.9° | 142.9° |
| C13 | N1 | C12 | H23 | 145.3° | 23.0° |
| N1 | C12 | C7 | C5 | 53.0° | 63.1° |
| N1 | C12 | C7 | C8 | 72.6° | 175.5° |
| N1 | C12 | C7 | C11 | 173.1° | 58.3° |
| N1 | C12 | C7 | H22 | 120.8° | 120.0° |
| N1 | C12 | C7 | H23 | 120.7° | 120.0° |
| C12 | N1 | C13 | C15 | 104.7° | 85.9° |
| C12 | N1 | C14 | C21 | 5.5° | 123.9° |
| C12 | N1 | C14 | C25 | 173.3° | 56.1° |
| C12 | N1 | C13 | H6 | 15.8° | 154.1° |
| C12 | N1 | C13 | H7 | 134.8° | 34.1° |
| N1 | C12 | H22 | H23 | 117.6° | 120.0° |
| C14 | N1 | C12 | C7 | 84.9° | 82.6° |
| C14 | N1 | C13 | C15 | 76.5° | 94.4° |
| N1 | C14 | C21 | C22 | 179.3° | 180.0° |
| N1 | C14 | C21 | C25 | 178.8° | 180.0° |
| N1 | C14 | C25 | C24 | 179.9° | 180.0° |
| C14 | N1 | C13 | H6 | 163.1° | 25.6° |
| C14 | N1 | C13 | H7 | 44.1° | 145.6° |
| N1 | C14 | C21 | H9 | 0.7° | 0.3° |
| C14 | N1 | C12 | H22 | 154.4° | 37.4° |
| C14 | N1 | C12 | H23 | 35.9° | 157.3° |
| N1 | C14 | C25 | H27 | 0.1° | 0.0° |
| C5 | C4 | C3 | H1 | 180.0° | 179.8° |
| C4 | C5 | C6 | C7 | 177.9° | 180.0° |
| C4 | C5 | C6 | C1 | 1.5° | 0.0° |
| C4 | C5 | C6 | F2 | 179.0° | 180.0° |
| C4 | C5 | C7 | C8 | 140.9° | 113.5° |
| C4 | C5 | C7 | C11 | 23.6° | 3.6° |
| C4 | C5 | C7 | C12 | 96.2° | 125.1° |
| C5 | C4 | C3 | C2 | 2.3° | 0.1° |
| C5 | C4 | C3 | H17 | 177.7° | 180.0° |
| C3 | C4 | C5 | C6 | 1.9° | 0.1° |
| C3 | C4 | C5 | C7 | 179.8° | 179.9° |
| C4 | C3 | C2 | C1 | 1.9° | 0.1° |
| C4 | C3 | C2 | H17 | 180.0° | 179.8° |
| C4 | C3 | C2 | H16 | 178.1° | 180.0° |
| C5 | C6 | C1 | F2 | 179.5° | 180.0° |
| C6 | C5 | C7 | C8 | 41.3° | 66.5° |
| C6 | C5 | C7 | C11 | 158.6° | 176.3° |
| C6 | C5 | C7 | C12 | 81.6° | 54.9° |
| C5 | C6 | C1 | C2 | 1.2° | 0.0° |
| C6 | C5 | C4 | H1 | 178.1° | 179.7° |
| C5 | C6 | C1 | H15 | 178.8° | 180.0° |
| C7 | C5 | C6 | C1 | 179.4° | 179.9° |
| C7 | C5 | C6 | F2 | 1.1° | 0.0° |
| C5 | C7 | C8 | C11 | 118.5° | 119.2° |
| C5 | C7 | C8 | C12 | 126.2° | 121.4° |
| C5 | C7 | C11 | C12 | 123.4° | 121.4° |
| C5 | C7 | C8 | C9 | 148.0° | 142.9° |
| C5 | C7 | C11 | C10 | 157.0° | 119.3° |
| C7 | C5 | C4 | H1 | 0.2° | 0.3° |
| C5 | C7 | C8 | H2 | 28.8° | 24.2° |
| C5 | C7 | C8 | H3 | 92.8° | 98.5° |
| C5 | C7 | C11 | H20 | 83.7° | 121.5° |
| C5 | C7 | C11 | H21 | 37.8° | 0.0° |
| C5 | C7 | C12 | H22 | 173.7° | 56.9° |
| C5 | C7 | C12 | H23 | 67.8° | 176.9° |
| C6 | C1 | C2 | H15 | 180.0° | 179.9° |
| C6 | C1 | C2 | C3 | 1.5° | 0.1° |
| C6 | C1 | C2 | H16 | 178.5° | 180.0° |
| F2 | C6 | C1 | C2 | 179.3° | 180.0° |
| F2 | C6 | C1 | H15 | 0.7° | 0.1° |
| C8 | C7 | C11 | C12 | 115.3° | 119.4° |
| C7 | C8 | C9 | H2 | 119.2° | 118.7° |
| C7 | C8 | C9 | H3 | 119.1° | 118.6° |
| C7 | C8 | C9 | C10 | 12.4° | 37.9° |
| C8 | C7 | C11 | C10 | 35.8° | 0.1° |
| C7 | C8 | H2 | H3 | 122.4° | 122.7° |
| C7 | C8 | C9 | H18 | 132.2° | 156.3° |
| C7 | C8 | C9 | H19 | 107.5° | 80.4° |
| C8 | C7 | C11 | H20 | 155.1° | 119.3° |
| C8 | C7 | C11 | H21 | 83.5° | 119.2° |
| C8 | C7 | C12 | H22 | 48.2° | 64.4° |
| C8 | C7 | C12 | H23 | 166.7° | 55.5° |
| C11 | C7 | C8 | C9 | 29.5° | 23.6° |
| C7 | C11 | C10 | C9 | 26.9° | 23.6° |
| C7 | C11 | C10 | H20 | 119.3° | 119.2° |
| C7 | C11 | C10 | H21 | 119.3° | 119.3° |
| C11 | C7 | C8 | H2 | 89.7° | 95.0° |
| C11 | C7 | C8 | H3 | 148.6° | 142.3° |
| C7 | C11 | C10 | H4 | 146.0° | 95.1° |
| C7 | C11 | C10 | H5 | 92.3° | 142.3° |
| C7 | C11 | H20 | H21 | 122.1° | 121.5° |
| C11 | C7 | C12 | H22 | 66.1° | 178.3° |
| C11 | C7 | C12 | H23 | 52.4° | 61.7° |
| C12 | C7 | C8 | C9 | 85.8° | 95.7° |
| C12 | C7 | C11 | C10 | 79.5° | 119.3° |
| C12 | C7 | C8 | H2 | 155.0° | 145.6° |
| C12 | C7 | C8 | H3 | 33.3° | 22.9° |
| C12 | C7 | C11 | H20 | 39.7° | 0.1° |
| C12 | C7 | C11 | H21 | 161.2° | 121.4° |
| C7 | C12 | H22 | H23 | 117.7° | 120.0° |
| C8 | C9 | C10 | H18 | 119.9° | 118.3° |
| C8 | C9 | C10 | H19 | 119.9° | 118.3° |
| C8 | C9 | C10 | C11 | 9.0° | 37.9° |
| C9 | C8 | H2 | H3 | 122.5° | 122.6° |
| C8 | C9 | C10 | H4 | 128.1° | 80.7° |
| C8 | C9 | C10 | H5 | 110.2° | 156.6° |
| C8 | C9 | H18 | H19 | 120.4° | 123.3° |
| C9 | C10 | C11 | H4 | 119.2° | 118.6° |
| C9 | C10 | C11 | H5 | 119.2° | 118.7° |
| C10 | C9 | C8 | H2 | 106.8° | 80.7° |
| C10 | C9 | C8 | H3 | 131.5° | 156.6° |
| C9 | C10 | H4 | H5 | 122.5° | 122.6° |
| C10 | C9 | H18 | H19 | 120.4° | 123.4° |
| C9 | C10 | C11 | H20 | 146.1° | 95.7° |
| C9 | C10 | C11 | H21 | 92.4° | 142.9° |
| C11 | C10 | H4 | H5 | 122.4° | 122.6° |
| C11 | C10 | C9 | H18 | 110.9° | 156.2° |
| C11 | C10 | C9 | H19 | 128.8° | 80.4° |
| C10 | C11 | H20 | H21 | 122.1° | 121.4° |
| C13 | C15 | C20 | C16 | 179.6° | 179.8° |
| C13 | C15 | C16 | C17 | 179.9° | 180.0° |
| C13 | C15 | C20 | C19 | 178.8° | 180.0° |
| C13 | C15 | C20 | CL1 | 0.8° | 0.0° |
| C15 | C13 | H6 | H7 | 118.5° | 120.0° |
| C13 | C15 | C16 | H24 | 0.1° | 0.0° |
| C20 | C15 | C16 | C17 | 0.4° | 0.2° |
| C15 | C20 | C19 | CL1 | 178.0° | 180.0° |
| C15 | C20 | C19 | C18 | 1.3° | 0.0° |
| C15 | C20 | C19 | O1 | 178.7° | 180.0° |
| C20 | C15 | C13 | H6 | 67.2° | 37.6° |
| C20 | C15 | C13 | H7 | 51.8° | 157.5° |
| C20 | C15 | C16 | H24 | 179.6° | 179.7° |
| C15 | C16 | C17 | H24 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 1.0° | 0.0° |
| C16 | C15 | C20 | C19 | 0.7° | 0.2° |
| C16 | C15 | C20 | CL1 | 178.7° | 179.8° |
| C16 | C15 | C13 | H6 | 112.4° | 142.2° |
| C16 | C15 | C13 | H7 | 128.6° | 22.3° |
| C15 | C16 | C17 | H8 | 179.0° | 180.0° |
| C16 | C17 | C18 | H8 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.4° | 0.2° |
| C16 | C17 | C18 | H25 | 179.5° | 180.0° |
| C17 | C18 | C19 | C20 | 0.7° | 0.2° |
| C17 | C18 | C19 | H25 | 180.0° | 179.8° |
| C17 | C18 | C19 | O1 | 179.3° | 179.8° |
| C18 | C17 | C16 | H24 | 179.0° | 179.9° |
| C20 | C19 | C18 | O1 | 180.0° | 180.0° |
| C20 | C19 | C18 | H25 | 179.3° | 180.0° |
| C20 | C19 | O1 | H26 | 180.0° | 90.0° |
| CL1 | C20 | C19 | C18 | 179.3° | 180.0° |
| CL1 | C20 | C19 | O1 | 0.7° | 0.0° |
| C22 | C21 | C14 | H9 | 180.0° | 179.7° |
| C21 | C22 | C23 | H10 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.7° | 0.0° |
| C22 | C21 | C14 | C25 | 1.9° | 0.1° |
| C21 | C22 | C23 | O2 | 177.5° | 179.9° |
| C14 | C21 | C22 | C23 | 1.1° | 0.0° |
| C21 | C14 | C25 | C24 | 1.1° | 0.1° |
| C14 | C21 | C22 | H10 | 178.9° | 180.0° |
| C21 | C14 | C25 | H27 | 178.9° | 180.0° |
| C22 | C23 | C24 | O2 | 176.9° | 179.9° |
| C22 | C23 | C24 | C25 | 1.6° | 0.0° |
| C22 | C23 | O2 | C26 | 117.4° | 173.9° |
| C23 | C22 | C21 | H9 | 178.9° | 179.7° |
| C22 | C23 | C24 | H11 | 178.5° | 180.0° |
| C23 | C24 | C25 | H11 | 180.0° | 179.9° |
| C24 | C23 | O2 | C26 | 65.9° | 6.0° |
| C23 | C24 | C25 | C14 | 0.7° | 0.0° |
| C24 | C23 | C22 | H10 | 179.3° | 179.9° |
| C23 | C24 | C25 | H27 | 179.3° | 180.0° |
| C24 | C25 | C14 | H27 | 180.0° | 180.0° |
| C25 | C24 | C23 | O2 | 178.4° | 179.9° |
| C28 | C26 | O2 | C27 | 101.5° | 96.8° |
| C28 | C26 | O2 | H12 | 133.0° | 131.5° |
| C28 | C26 | C27 | H12 | 119.5° | 114.4° |
| C26 | C28 | N2 | H13 | 114.0° | 114.3° |
| C26 | C28 | N2 | H14 | 114.0° | 114.4° |
| C28 | C26 | O2 | C23 | 116.9° | 156.2° |
| C28 | C26 | C27 | N2 | 24.9° | 23.7° |
| C26 | C28 | N2 | C29 | 135.4° | 137.5° |
| C26 | C28 | H13 | H14 | 135.2° | 131.8° |
| C28 | C26 | C27 | H28 | 89.4° | 90.6° |
| C28 | C26 | C27 | H29 | 139.2° | 138.0° |
| O2 | C26 | C27 | H12 | 124.1° | 131.3° |
| O2 | C26 | C28 | N2 | 132.6° | 138.2° |
| O2 | C26 | C27 | N2 | 141.2° | 138.1° |
| O2 | C26 | C28 | H13 | 113.4° | 107.6° |
| O2 | C26 | C28 | H14 | 18.6° | 23.8° |
| O2 | C26 | C27 | H28 | 26.9° | 23.8° |
| O2 | C26 | C27 | H29 | 104.5° | 107.6° |
| C27 | C26 | O2 | C23 | 141.6° | 107.0° |
| C26 | C27 | N2 | H28 | 114.3° | 114.3° |
| C26 | C27 | N2 | H29 | 114.3° | 114.3° |
| C26 | C27 | N2 | C29 | 143.2° | 137.6° |
| C27 | C26 | C28 | H13 | 138.9° | 138.0° |
| C27 | C26 | C28 | H14 | 89.1° | 90.6° |
| C26 | C27 | H28 | H29 | 134.5° | 131.8° |
| C28 | N2 | C27 | C29 | 117.4° | 112.9° |
| C28 | N2 | C29 | C30 | 60.1° | 170.0° |
| N2 | C28 | C26 | H12 | 95.1° | 90.7° |
| N2 | C28 | H13 | H14 | 135.3° | 131.6° |
| C28 | N2 | C27 | H28 | 88.5° | 89.6° |
| C28 | N2 | C27 | H29 | 140.1° | 139.0° |
| C28 | N2 | C29 | H31 | 60.5° | 50.1° |
| C28 | N2 | C29 | H32 | 179.2° | 69.9° |
| C1 | C2 | C3 | H16 | 180.0° | 179.9° |
| C1 | C2 | C3 | H17 | 178.0° | 180.0° |
| C2 | C3 | C4 | H1 | 177.7° | 179.7° |
| C3 | C2 | C1 | H15 | 178.5° | 180.0° |
| C25 | C14 | C21 | H9 | 178.1° | 179.8° |
| C14 | C25 | C24 | H11 | 179.3° | 180.0° |
| C19 | C18 | C17 | H8 | 179.6° | 179.8° |
| C18 | C19 | O1 | H26 | 0.0° | 90.0° |
| O1 | C19 | C18 | H25 | 0.7° | 0.0° |
| O2 | C23 | C22 | H10 | 2.6° | 0.0° |
| O2 | C23 | C24 | H11 | 1.6° | 0.0° |
| C23 | O2 | C26 | H12 | 16.1° | 24.7° |
| C27 | N2 | C29 | C30 | 165.1° | 90.7° |
| N2 | C27 | C26 | H12 | 94.6° | 90.7° |
| C27 | N2 | C28 | H13 | 139.3° | 139.0° |
| C27 | N2 | C28 | H14 | 88.6° | 89.7° |
| N2 | C27 | H28 | H29 | 134.6° | 131.7° |
| C27 | N2 | C29 | H31 | 44.4° | 149.4° |
| C27 | N2 | C29 | H32 | 74.2° | 29.4° |
| N2 | C29 | C30 | H31 | 120.7° | 120.0° |
| N2 | C29 | C30 | H32 | 120.7° | 120.0° |
| N2 | C29 | C30 | C31 | 118.0° | 180.0° |
| C29 | N2 | C28 | H13 | 110.6° | 108.1° |
| C29 | N2 | C28 | H14 | 21.4° | 23.2° |
| C29 | N2 | C27 | H28 | 28.9° | 23.3° |
| C29 | N2 | C27 | H29 | 102.5° | 108.1° |
| N2 | C29 | H31 | H32 | 117.9° | 120.0° |
| N2 | C29 | C30 | H33 | 2.3° | 60.0° |
| N2 | C29 | C30 | H34 | 121.7° | 59.9° |
| C29 | C30 | C31 | H33 | 120.3° | 120.0° |
| C29 | C30 | C31 | H34 | 120.3° | 120.1° |
| C29 | C30 | C31 | F1 | 133.8° | 180.0° |
| C30 | C29 | H31 | H32 | 117.9° | 120.0° |
| C29 | C30 | H33 | H34 | 119.1° | 120.0° |
| C29 | C30 | C31 | H35 | 106.6° | 60.0° |
| C29 | C30 | C31 | H36 | 14.1° | 59.9° |
| C30 | C31 | F1 | H35 | 119.6° | 120.0° |
| C30 | C31 | F1 | H36 | 119.6° | 120.1° |
| C31 | C30 | C29 | H31 | 121.3° | 60.0° |
| C31 | C30 | C29 | H32 | 2.7° | 60.0° |
| C31 | C30 | H33 | H34 | 119.1° | 120.0° |
| C30 | C31 | H35 | H36 | 121.1° | 120.0° |
| F1 | C31 | C30 | H33 | 13.5° | 60.0° |
| F1 | C31 | C30 | H34 | 105.9° | 59.9° |
| F1 | C31 | H35 | H36 | 121.1° | 120.0° |
| H1 | C4 | C3 | H17 | 2.3° | 0.2° |
| H2 | C8 | C9 | H18 | 13.1° | 37.6° |
| H2 | C8 | C9 | H19 | 133.3° | 160.9° |
| H3 | C8 | C9 | H18 | 108.6° | 85.0° |
| H3 | C8 | C9 | H19 | 11.7° | 38.2° |
| H4 | C10 | C9 | H18 | 8.2° | 37.6° |
| H4 | C10 | C9 | H19 | 112.0° | 161.0° |
| H4 | C10 | C11 | H20 | 94.7° | 145.7° |
| H4 | C10 | C11 | H21 | 26.8° | 24.2° |
| H5 | C10 | C9 | H18 | 130.0° | 85.1° |
| H5 | C10 | C9 | H19 | 9.7° | 38.3° |
| H5 | C10 | C11 | H20 | 27.0° | 23.0° |
| H5 | C10 | C11 | H21 | 148.4° | 98.4° |
| H8 | C17 | C16 | H24 | 1.0° | 0.0° |
| H8 | C17 | C18 | H25 | 0.4° | 0.1° |
| H9 | C21 | C22 | H10 | 1.1° | 0.3° |
| H11 | C24 | C25 | H27 | 0.7° | 0.0° |
| H12 | C26 | C28 | H13 | 18.9° | 23.5° |
| H12 | C26 | C28 | H14 | 150.9° | 154.9° |
| H12 | C26 | C27 | H28 | 151.1° | 155.0° |
| H12 | C26 | C27 | H29 | 19.7° | 23.6° |
| H15 | C1 | C2 | H16 | 1.5° | 0.1° |
| H16 | C2 | C3 | H17 | 1.9° | 0.1° |
| H31 | C29 | C30 | H33 | 118.4° | 180.0° |
| H31 | C29 | C30 | H34 | 1.0° | 60.0° |
| H32 | C29 | C30 | H33 | 123.0° | 60.0° |
| H32 | C29 | C30 | H34 | 117.6° | 180.0° |
| H33 | C30 | C31 | H35 | 133.1° | 180.0° |
| H33 | C30 | C31 | H36 | 106.2° | 60.1° |
| H34 | C30 | C31 | H35 | 13.7° | 60.1° |
| H34 | C30 | C31 | H36 | 134.4° | 180.0° |
