Q4Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C2 | sing | 1.74Å | 1.72Å | |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C7 | sing | 1.50Å | 1.52Å | |
| C11 | O1 | sing | 1.43Å | 1.46Å | |
| C11 | C10 | sing | 1.53Å | 1.55Å | |
| C5 | C10 | sing | 1.51Å | 1.55Å | |
| C7 | C8 | sing | 1.52Å | 1.52Å | |
| O1 | C12 | sing | 1.36Å | 1.36Å | |
| C10 | C9 | sing | 1.53Å | 1.56Å | |
| C10 | C14 | sing | 1.53Å | 1.51Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C15 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | N1 | sing | 1.43Å | 1.48Å | |
| C13 | N1 | sing | 1.37Å | 1.33Å | |
| C13 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| N1 | C21 | sing | 1.43Å | 1.48Å | |
| O4 | C20 | doub | 1.21Å | 1.25Å | |
| C17 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C19 | sing | 1.50Å | 1.56Å | |
| O2 | C19 | sing | 1.43Å | 1.44Å | |
| C20 | C19 | sing | 1.51Å | 1.56Å | |
| C20 | O3 | sing | 1.34Å | 1.26Å | |
| C21 | C30 | sing | 1.53Å | 1.54Å | |
| C19 | C22 | sing | 1.53Å | 1.52Å | |
| C30 | C25 | sing | 1.53Å | 1.54Å | |
| O5 | C23 | doub | 1.21Å | 1.23Å | |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| C23 | N2 | sing | 1.37Å | 1.35Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| N2 | C24 | sing | 1.47Å | 1.47Å | |
| N2 | C28 | sing | 1.48Å | 1.48Å | |
| C26 | C27 | sing | 1.51Å | 1.39Å | |
| C27 | C29 | doub | 1.31Å | 1.39Å | |
| C29 | C28 | sing | 1.51Å | 1.40Å | |
| C9 | H1 | sing | 1.09Å | 1.10Å | |
| C9 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.08Å | 1.08Å | |
| C29 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| O3 | H34 | sing | 0.97Å | 0.95Å | |
| O2 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C2 | C1 | 120.4° | 120.1° |
| CL1 | C2 | C3 | 119.1° | 120.2° |
| C1 | C2 | C3 | 120.5° | 119.7° |
| C2 | C1 | C6 | 118.4° | 119.8° |
| C2 | C1 | H8 | 120.8° | 120.1° |
| C2 | C3 | C4 | 121.2° | 120.6° |
| C2 | C3 | H7 | 119.4° | 119.7° |
| C1 | C6 | C5 | 121.8° | 120.6° |
| C6 | C1 | H8 | 120.8° | 120.1° |
| C1 | C6 | H9 | 119.1° | 119.7° |
| C3 | C4 | C5 | 119.2° | 119.6° |
| C3 | C4 | C7 | 115.7° | 117.6° |
| C4 | C3 | H7 | 119.4° | 119.7° |
| C6 | C5 | C4 | 118.9° | 119.7° |
| C6 | C5 | C10 | 120.3° | 118.0° |
| C5 | C6 | H9 | 119.1° | 119.7° |
| C5 | C4 | C7 | 125.1° | 122.7° |
| C4 | C5 | C10 | 120.8° | 122.3° |
| C4 | C7 | C8 | 110.3° | 111.2° |
| C4 | C7 | H5 | 109.3° | 109.1° |
| C4 | C7 | H6 | 109.3° | 109.0° |
| O1 | C11 | C10 | 112.7° | 109.0° |
| C11 | O1 | C12 | 112.1° | 117.8° |
| O1 | C11 | H12 | 108.7° | 109.5° |
| O1 | C11 | H13 | 108.6° | 109.5° |
| C11 | C10 | C5 | 110.1° | 109.7° |
| C11 | C10 | C9 | 109.4° | 109.4° |
| C11 | C10 | C14 | 107.8° | 108.8° |
| C10 | C11 | H12 | 108.6° | 109.6° |
| C10 | C11 | H13 | 108.7° | 109.6° |
| C5 | C10 | C9 | 111.3° | 110.3° |
| C5 | C10 | C14 | 109.9° | 109.7° |
| C7 | C8 | C9 | 110.9° | 108.8° |
| C7 | C8 | H3 | 109.1° | 109.7° |
| C7 | C8 | H4 | 109.1° | 109.7° |
| C8 | C7 | H5 | 109.2° | 109.1° |
| C8 | C7 | H6 | 109.3° | 109.2° |
| O1 | C12 | C15 | 114.5° | 119.7° |
| O1 | C12 | C13 | 124.4° | 120.0° |
| C9 | C10 | C14 | 108.2° | 109.1° |
| C10 | C9 | C8 | 111.8° | 108.2° |
| C10 | C9 | H1 | 108.9° | 109.7° |
| C10 | C9 | H2 | 108.9° | 109.8° |
| C10 | C14 | N1 | 112.3° | 111.0° |
| C10 | C14 | H10 | 108.8° | 109.2° |
| C10 | C14 | H11 | 108.8° | 109.2° |
| C8 | C9 | H1 | 108.9° | 109.7° |
| C8 | C9 | H2 | 108.9° | 109.7° |
| C9 | C8 | H3 | 109.1° | 109.6° |
| C9 | C8 | H4 | 109.1° | 109.6° |
| C12 | C15 | C16 | 120.0° | 120.8° |
| C15 | C12 | C13 | 121.1° | 120.3° |
| C12 | C15 | H14 | 120.0° | 119.5° |
| C15 | C16 | C17 | 119.8° | 119.6° |
| C16 | C15 | H14 | 120.0° | 119.6° |
| C15 | C16 | H15 | 120.1° | 120.2° |
| C12 | C13 | N1 | 121.0° | 120.5° |
| C12 | C13 | C18 | 118.2° | 118.2° |
| C16 | C17 | C18 | 119.1° | 119.9° |
| C16 | C17 | C19 | 122.1° | 120.2° |
| C17 | C16 | H15 | 120.1° | 120.2° |
| C14 | N1 | C13 | 125.3° | 115.9° |
| C14 | N1 | C21 | 111.9° | 121.9° |
| N1 | C14 | H10 | 108.8° | 109.2° |
| N1 | C14 | H11 | 108.7° | 109.1° |
| N1 | C13 | C18 | 120.7° | 121.3° |
| C13 | N1 | C21 | 120.8° | 121.6° |
| C13 | C18 | C17 | 121.7° | 121.2° |
| C13 | C18 | H16 | 119.1° | 119.4° |
| N1 | C21 | C30 | 110.4° | 111.7° |
| N1 | C21 | H17 | 109.3° | 109.1° |
| N1 | C21 | H18 | 109.3° | 109.0° |
| O4 | C20 | C19 | 116.9° | 120.0° |
| O4 | C20 | O3 | 124.0° | 120.0° |
| C18 | C17 | C19 | 118.7° | 119.9° |
| C17 | C18 | H16 | 119.1° | 119.4° |
| C17 | C19 | O2 | 111.1° | 109.4° |
| C17 | C19 | C20 | 106.1° | 109.4° |
| C17 | C19 | C22 | 113.9° | 109.7° |
| O2 | C19 | C20 | 107.5° | 109.4° |
| O2 | C19 | C22 | 109.6° | 109.4° |
| C19 | O2 | H35 | 109.5° | 114.0° |
| C19 | C20 | O3 | 119.0° | 120.0° |
| C20 | C19 | C22 | 108.3° | 109.4° |
| C20 | O3 | H34 | 109.5° | 117.0° |
| C21 | C30 | C25 | 109.0° | 109.5° |
| C30 | C21 | H17 | 109.3° | 109.1° |
| C30 | C21 | H18 | 109.2° | 109.0° |
| C21 | C30 | H19 | 109.6° | 109.5° |
| C21 | C30 | H20 | 109.6° | 109.5° |
| C19 | C22 | C23 | 114.1° | 109.6° |
| C19 | C22 | H32 | 108.3° | 109.5° |
| C19 | C22 | H33 | 108.3° | 109.5° |
| C30 | C25 | C26 | 111.2° | 109.4° |
| C25 | C30 | H19 | 109.6° | 109.5° |
| C25 | C30 | H20 | 109.6° | 109.5° |
| C30 | C25 | H21 | 109.0° | 109.5° |
| C30 | C25 | H22 | 109.0° | 109.5° |
| O5 | C23 | C22 | 119.7° | 120.7° |
| O5 | C23 | N2 | 123.6° | 120.6° |
| C22 | C23 | N2 | 116.6° | 118.7° |
| C23 | C22 | H32 | 108.3° | 109.4° |
| C23 | C22 | H33 | 108.3° | 109.4° |
| C23 | N2 | C24 | 115.1° | 122.0° |
| C23 | N2 | C28 | 123.0° | 116.0° |
| C25 | C26 | C27 | 111.4° | 109.5° |
| C26 | C25 | H21 | 109.0° | 109.5° |
| C26 | C25 | H22 | 109.0° | 109.5° |
| C25 | C26 | H23 | 109.0° | 109.5° |
| C25 | C26 | H24 | 109.0° | 109.4° |
| C24 | N2 | C28 | 121.9° | 122.0° |
| N2 | C24 | H29 | 109.5° | 109.4° |
| N2 | C24 | H30 | 109.5° | 109.5° |
| N2 | C24 | H31 | 109.5° | 109.4° |
| N2 | C28 | C29 | 109.7° | 109.0° |
| N2 | C28 | H27 | 109.4° | 109.5° |
| N2 | C28 | H28 | 109.4° | 109.6° |
| C26 | C27 | C29 | 121.3° | 120.1° |
| C27 | C26 | H23 | 109.0° | 109.5° |
| C27 | C26 | H24 | 109.0° | 109.5° |
| C26 | C27 | H25 | 119.3° | 119.9° |
| C27 | C29 | C28 | 119.2° | 119.9° |
| C29 | C27 | H25 | 119.3° | 120.0° |
| C27 | C29 | H26 | 120.4° | 120.0° |
| C28 | C29 | H26 | 120.4° | 120.1° |
| C29 | C28 | H27 | 109.4° | 109.5° |
| C29 | C28 | H28 | 109.4° | 109.6° |
| H1 | C9 | H2 | 109.5° | 109.7° |
| H3 | C8 | H4 | 109.5° | 109.6° |
| H5 | C7 | H6 | 109.5° | 109.1° |
| H10 | C14 | H11 | 109.5° | 109.1° |
| H12 | C11 | H13 | 109.5° | 109.6° |
| H17 | C21 | H18 | 109.5° | 108.9° |
| H19 | C30 | H20 | 109.5° | 109.5° |
| H21 | C25 | H22 | 109.5° | 109.5° |
| H23 | C26 | H24 | 109.5° | 109.5° |
| H27 | C28 | H28 | 109.4° | 109.6° |
| H29 | C24 | H30 | 109.5° | 109.5° |
| H29 | C24 | H31 | 109.4° | 109.5° |
| H30 | C24 | H31 | 109.5° | 109.5° |
| H32 | C22 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C2 | C1 | C3 | 177.8° | 180.0° |
| CL1 | C2 | C1 | C6 | 179.3° | 180.0° |
| CL1 | C2 | C3 | C4 | 179.4° | 179.9° |
| CL1 | C2 | C3 | H7 | 0.6° | 0.2° |
| CL1 | C2 | C1 | H8 | 0.7° | 0.1° |
| C2 | C1 | C6 | H8 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 1.6° | 0.1° |
| C2 | C1 | C6 | C5 | 0.4° | 0.2° |
| C1 | C2 | C3 | H7 | 178.4° | 179.8° |
| C2 | C1 | C6 | H9 | 179.6° | 179.9° |
| C3 | C2 | C1 | C6 | 1.4° | 0.1° |
| C2 | C3 | C4 | H7 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.6° | 0.1° |
| C2 | C3 | C4 | C7 | 179.5° | 179.8° |
| C3 | C2 | C1 | H8 | 178.5° | 180.0° |
| C1 | C6 | C5 | H9 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 0.6° | 0.3° |
| C1 | C6 | C5 | C10 | 179.7° | 179.5° |
| C3 | C4 | C5 | C6 | 0.5° | 0.1° |
| C3 | C4 | C5 | C7 | 179.9° | 179.8° |
| C3 | C4 | C5 | C10 | 179.8° | 179.7° |
| C3 | C4 | C7 | C8 | 161.3° | 165.4° |
| C3 | C4 | C7 | H5 | 78.6° | 44.9° |
| C3 | C4 | C7 | H6 | 41.2° | 74.2° |
| C6 | C5 | C4 | C10 | 179.7° | 179.8° |
| C6 | C5 | C4 | C7 | 179.4° | 179.9° |
| C6 | C5 | C10 | C11 | 46.9° | 39.9° |
| C6 | C5 | C10 | C9 | 168.3° | 160.4° |
| C6 | C5 | C10 | C14 | 71.8° | 79.5° |
| C5 | C6 | C1 | H8 | 179.6° | 179.8° |
| C4 | C5 | C10 | C11 | 133.4° | 139.9° |
| C5 | C4 | C7 | C8 | 18.6° | 14.8° |
| C4 | C5 | C10 | C9 | 12.0° | 19.4° |
| C4 | C5 | C10 | C14 | 107.9° | 100.7° |
| C5 | C4 | C7 | H5 | 101.5° | 135.2° |
| C5 | C4 | C7 | H6 | 138.7° | 105.7° |
| C5 | C4 | C3 | H7 | 179.5° | 179.8° |
| C4 | C5 | C6 | H9 | 179.4° | 179.9° |
| C7 | C4 | C5 | C10 | 0.3° | 0.1° |
| C4 | C7 | C8 | H5 | 120.1° | 120.4° |
| C4 | C7 | C8 | H6 | 120.1° | 120.4° |
| C4 | C7 | C8 | C9 | 49.3° | 48.5° |
| C4 | C7 | C8 | H3 | 169.5° | 71.3° |
| C4 | C7 | C8 | H4 | 70.9° | 168.3° |
| C4 | C7 | H5 | H6 | 119.6° | 119.0° |
| C7 | C4 | C3 | H7 | 0.5° | 0.3° |
| O1 | C11 | C10 | H12 | 120.5° | 119.9° |
| O1 | C11 | C10 | H13 | 120.5° | 119.9° |
| O1 | C11 | C10 | C5 | 88.1° | 170.1° |
| O1 | C11 | C10 | C9 | 149.3° | 49.1° |
| O1 | C11 | C10 | C14 | 31.8° | 70.0° |
| C11 | O1 | C12 | C15 | 129.3° | 113.9° |
| C11 | O1 | C12 | C13 | 49.3° | 66.2° |
| O1 | C11 | H12 | H13 | 118.5° | 120.1° |
| C11 | C10 | C5 | C9 | 121.4° | 120.5° |
| C11 | C10 | C5 | C14 | 118.7° | 119.4° |
| C10 | C11 | O1 | C12 | 91.8° | 85.5° |
| C11 | C10 | C9 | C14 | 117.2° | 118.8° |
| C11 | C10 | C9 | C8 | 164.9° | 173.6° |
| C11 | C10 | C14 | N1 | 50.9° | 72.1° |
| C11 | C10 | C9 | H1 | 74.8° | 53.9° |
| C11 | C10 | C9 | H2 | 44.5° | 66.7° |
| C11 | C10 | C14 | H10 | 171.3° | 167.5° |
| C11 | C10 | C14 | H11 | 69.5° | 48.3° |
| C10 | C11 | H12 | H13 | 118.5° | 120.3° |
| C5 | C10 | C9 | C14 | 120.9° | 120.5° |
| C5 | C10 | C9 | C8 | 43.0° | 52.9° |
| C5 | C10 | C14 | N1 | 170.9° | 168.0° |
| C5 | C10 | C9 | H1 | 163.4° | 66.8° |
| C5 | C10 | C9 | H2 | 77.3° | 172.6° |
| C10 | C5 | C6 | H9 | 0.3° | 0.3° |
| C5 | C10 | C14 | H10 | 68.6° | 47.6° |
| C5 | C10 | C14 | H11 | 50.5° | 71.6° |
| C5 | C10 | C11 | H12 | 151.4° | 70.0° |
| C5 | C10 | C11 | H13 | 32.3° | 50.3° |
| C7 | C8 | C9 | C10 | 64.3° | 69.5° |
| C7 | C8 | C9 | H3 | 120.2° | 119.9° |
| C7 | C8 | C9 | H4 | 120.2° | 119.8° |
| C7 | C8 | C9 | H1 | 175.4° | 50.2° |
| C7 | C8 | C9 | H2 | 56.1° | 170.8° |
| C7 | C8 | H3 | H4 | 119.4° | 120.4° |
| C8 | C7 | H5 | H6 | 119.6° | 119.2° |
| O1 | C12 | C15 | C13 | 178.7° | 179.9° |
| O1 | C12 | C15 | C16 | 179.2° | 179.0° |
| O1 | C12 | C13 | N1 | 4.8° | 0.5° |
| O1 | C12 | C13 | C18 | 179.6° | 179.0° |
| C12 | O1 | C11 | H12 | 28.6° | 34.4° |
| C12 | O1 | C11 | H13 | 147.7° | 154.6° |
| O1 | C12 | C15 | H14 | 0.8° | 1.0° |
| C10 | C9 | C8 | H1 | 120.3° | 119.7° |
| C10 | C9 | C8 | H2 | 120.4° | 119.8° |
| C9 | C10 | C14 | N1 | 67.4° | 47.2° |
| C10 | C9 | H1 | H2 | 119.0° | 120.6° |
| C10 | C9 | C8 | H3 | 175.5° | 50.4° |
| C10 | C9 | C8 | H4 | 55.9° | 170.7° |
| C9 | C10 | C14 | H10 | 53.1° | 73.2° |
| C9 | C10 | C14 | H11 | 172.2° | 167.5° |
| C9 | C10 | C11 | H12 | 28.8° | 168.9° |
| C9 | C10 | C11 | H13 | 90.2° | 70.8° |
| C14 | C10 | C9 | C8 | 77.9° | 67.6° |
| C10 | C14 | N1 | H10 | 120.4° | 120.4° |
| C10 | C14 | N1 | H11 | 120.4° | 120.3° |
| C10 | C14 | N1 | C13 | 76.9° | 85.3° |
| C10 | C14 | N1 | C21 | 119.2° | 103.6° |
| C14 | C10 | C9 | H1 | 42.5° | 172.7° |
| C14 | C10 | C9 | H2 | 161.8° | 52.1° |
| C10 | C14 | H10 | H11 | 118.7° | 119.3° |
| C14 | C10 | C11 | H12 | 88.6° | 49.9° |
| C14 | C10 | C11 | H13 | 152.3° | 170.2° |
| C8 | C9 | H1 | H2 | 118.9° | 120.6° |
| C9 | C8 | H3 | H4 | 119.3° | 120.3° |
| C9 | C8 | C7 | H5 | 70.8° | 168.9° |
| C9 | C8 | C7 | H6 | 169.5° | 71.9° |
| C12 | C15 | C16 | H14 | 180.0° | 180.0° |
| C12 | C15 | C16 | C17 | 0.3° | 0.1° |
| C15 | C12 | C13 | N1 | 176.7° | 179.6° |
| C15 | C12 | C13 | C18 | 1.1° | 0.8° |
| C12 | C15 | C16 | H15 | 179.7° | 180.0° |
| C16 | C15 | C12 | C13 | 0.5° | 0.9° |
| C15 | C16 | C17 | H15 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.6° | 0.7° |
| C15 | C16 | C17 | C19 | 177.1° | 178.9° |
| C12 | C13 | N1 | C14 | 17.0° | 63.5° |
| C12 | C13 | N1 | C18 | 175.5° | 179.6° |
| C12 | C13 | N1 | C21 | 179.5° | 125.4° |
| C12 | C13 | C18 | C17 | 0.8° | 0.0° |
| C13 | C12 | C15 | H14 | 179.5° | 179.1° |
| C12 | C13 | C18 | H16 | 179.2° | 180.0° |
| C16 | C17 | C18 | C13 | 0.1° | 0.8° |
| C16 | C17 | C18 | C19 | 176.6° | 179.6° |
| C16 | C17 | C19 | O2 | 9.0° | 175.0° |
| C16 | C17 | C19 | C20 | 107.5° | 55.1° |
| C16 | C17 | C19 | C22 | 133.5° | 65.0° |
| C17 | C16 | C15 | H14 | 179.7° | 179.9° |
| C16 | C17 | C18 | H16 | 180.0° | 179.3° |
| C14 | N1 | C13 | C21 | 162.5° | 171.1° |
| C14 | N1 | C13 | C18 | 158.5° | 117.0° |
| C14 | N1 | C21 | C30 | 81.7° | 171.6° |
| N1 | C14 | H10 | H11 | 118.7° | 119.2° |
| C14 | N1 | C21 | H17 | 158.2° | 51.0° |
| C14 | N1 | C21 | H18 | 38.4° | 67.8° |
| N1 | C13 | C18 | C17 | 176.4° | 179.6° |
| C13 | N1 | C21 | C30 | 83.0° | 17.8° |
| C13 | N1 | C14 | H10 | 162.6° | 154.3° |
| C13 | N1 | C14 | H11 | 43.5° | 35.0° |
| N1 | C13 | C18 | H16 | 3.6° | 0.4° |
| C13 | N1 | C21 | H17 | 37.2° | 138.4° |
| C13 | N1 | C21 | H18 | 156.9° | 102.7° |
| C18 | C13 | N1 | C21 | 4.0° | 54.1° |
| C13 | C18 | C17 | H16 | 180.0° | 180.0° |
| C13 | C18 | C17 | C19 | 176.7° | 178.9° |
| N1 | C21 | C30 | H17 | 120.2° | 120.6° |
| N1 | C21 | C30 | H18 | 120.1° | 120.5° |
| N1 | C21 | C30 | C25 | 173.2° | 150.3° |
| C21 | N1 | C14 | H10 | 1.2° | 16.8° |
| C21 | N1 | C14 | H11 | 120.4° | 136.0° |
| N1 | C21 | H17 | H18 | 119.6° | 118.9° |
| N1 | C21 | C30 | H19 | 66.9° | 89.8° |
| N1 | C21 | C30 | H20 | 53.2° | 30.3° |
| O4 | C20 | C19 | C17 | 89.5° | 95.0° |
| O4 | C20 | C19 | O2 | 29.4° | 145.1° |
| O4 | C20 | C19 | O3 | 177.2° | 180.0° |
| O4 | C20 | C19 | C22 | 147.8° | 25.2° |
| O4 | C20 | O3 | H34 | 0.0° | 0.0° |
| C18 | C17 | C19 | O2 | 174.5° | 5.4° |
| C18 | C17 | C19 | C20 | 69.0° | 125.3° |
| C18 | C17 | C19 | C22 | 50.0° | 114.7° |
| C18 | C17 | C16 | H15 | 179.4° | 179.2° |
| C17 | C19 | O2 | C20 | 115.6° | 119.9° |
| C17 | C19 | O2 | C22 | 126.8° | 120.2° |
| C17 | C19 | C20 | C22 | 122.7° | 120.2° |
| C17 | C19 | C20 | O3 | 87.7° | 85.0° |
| C17 | C19 | C22 | C23 | 74.9° | 54.1° |
| C19 | C17 | C16 | H15 | 2.9° | 1.2° |
| C19 | C17 | C18 | H16 | 3.3° | 1.1° |
| C17 | C19 | C22 | H32 | 164.4° | 65.8° |
| C17 | C19 | C22 | H33 | 45.8° | 174.1° |
| C17 | C19 | O2 | H35 | 85.2° | 60.0° |
| O2 | C19 | C20 | C22 | 118.4° | 119.9° |
| O2 | C19 | C20 | O3 | 153.4° | 34.9° |
| O2 | C19 | C22 | C23 | 50.3° | 65.9° |
| O2 | C19 | C22 | H32 | 70.4° | 174.1° |
| O2 | C19 | C22 | H33 | 171.0° | 54.1° |
| C20 | C19 | C22 | C23 | 167.3° | 174.2° |
| C20 | C19 | C22 | H32 | 46.6° | 54.2° |
| C20 | C19 | C22 | H33 | 72.0° | 65.8° |
| C19 | C20 | O3 | H34 | 177.0° | 180.0° |
| C20 | C19 | O2 | H35 | 159.2° | 59.9° |
| O3 | C20 | C19 | C22 | 35.0° | 154.8° |
| C21 | C30 | C25 | H19 | 119.9° | 120.0° |
| C21 | C30 | C25 | H20 | 119.9° | 120.0° |
| C21 | C30 | C25 | C26 | 155.3° | 141.2° |
| C30 | C21 | H17 | H18 | 119.6° | 118.9° |
| C21 | C30 | H19 | H20 | 120.2° | 120.0° |
| C21 | C30 | C25 | H21 | 35.0° | 98.9° |
| C21 | C30 | C25 | H22 | 84.5° | 21.2° |
| C19 | C22 | C23 | O5 | 11.0° | 27.5° |
| C19 | C22 | C23 | H32 | 120.7° | 120.0° |
| C19 | C22 | C23 | H33 | 120.7° | 120.1° |
| C19 | C22 | C23 | N2 | 170.6° | 152.5° |
| C19 | C22 | H32 | H33 | 117.9° | 120.0° |
| C22 | C19 | O2 | H35 | 41.7° | 179.8° |
| C30 | C25 | C26 | H21 | 120.3° | 120.0° |
| C30 | C25 | C26 | H22 | 120.3° | 120.0° |
| C30 | C25 | C26 | C27 | 79.2° | 60.0° |
| C25 | C30 | C21 | H17 | 53.0° | 29.6° |
| C25 | C30 | C21 | H18 | 66.7° | 89.2° |
| C25 | C30 | H19 | H20 | 120.2° | 120.0° |
| C30 | C25 | H21 | H22 | 119.2° | 120.0° |
| C30 | C25 | C26 | H23 | 160.5° | 180.0° |
| C30 | C25 | C26 | H24 | 41.1° | 60.0° |
| O5 | C23 | C22 | N2 | 178.4° | 180.0° |
| O5 | C23 | N2 | C24 | 1.2° | 173.8° |
| O5 | C23 | N2 | C28 | 178.8° | 6.3° |
| O5 | C23 | C22 | H32 | 109.7° | 92.6° |
| O5 | C23 | C22 | H33 | 131.6° | 147.6° |
| C22 | C23 | N2 | C24 | 179.5° | 6.2° |
| C22 | C23 | N2 | C28 | 0.5° | 173.7° |
| C23 | C22 | H32 | H33 | 117.9° | 119.8° |
| C23 | N2 | C24 | C28 | 180.0° | 180.0° |
| C23 | N2 | C28 | C29 | 99.6° | 51.9° |
| C23 | N2 | C28 | H27 | 140.4° | 67.9° |
| C23 | N2 | C28 | H28 | 20.4° | 171.8° |
| C23 | N2 | C24 | H29 | 180.0° | 90.0° |
| C23 | N2 | C24 | H30 | 60.0° | 30.0° |
| C23 | N2 | C24 | H31 | 60.0° | 150.0° |
| N2 | C23 | C22 | H32 | 68.7° | 87.4° |
| N2 | C23 | C22 | H33 | 50.0° | 32.4° |
| C25 | C26 | C27 | H23 | 120.3° | 120.0° |
| C25 | C26 | C27 | H24 | 120.3° | 120.0° |
| C25 | C26 | C27 | C29 | 132.3° | 118.9° |
| C26 | C25 | C30 | H19 | 84.8° | 21.2° |
| C26 | C25 | C30 | H20 | 35.3° | 98.8° |
| C26 | C25 | H21 | H22 | 119.2° | 120.1° |
| C25 | C26 | H23 | H24 | 119.1° | 120.0° |
| C25 | C26 | C27 | H25 | 47.7° | 61.2° |
| C24 | N2 | C28 | C29 | 80.4° | 128.1° |
| C24 | N2 | C28 | H27 | 39.7° | 112.1° |
| C24 | N2 | C28 | H28 | 159.6° | 8.2° |
| N2 | C24 | H29 | H30 | 120.0° | 120.0° |
| N2 | C24 | H29 | H31 | 120.0° | 120.0° |
| N2 | C24 | H30 | H31 | 120.0° | 120.0° |
| N2 | C28 | C29 | C27 | 126.8° | 137.7° |
| N2 | C28 | C29 | H27 | 120.0° | 119.8° |
| N2 | C28 | C29 | H28 | 120.0° | 119.9° |
| N2 | C28 | C29 | H26 | 53.3° | 42.4° |
| N2 | C28 | H27 | H28 | 119.9° | 120.3° |
| C28 | N2 | C24 | H29 | 0.0° | 90.1° |
| C28 | N2 | C24 | H30 | 120.0° | 150.0° |
| C28 | N2 | C24 | H31 | 120.0° | 30.0° |
| C26 | C27 | C29 | H25 | 180.0° | 180.0° |
| C26 | C27 | C29 | C28 | 179.1° | 179.8° |
| C27 | C26 | C25 | H21 | 41.0° | 60.0° |
| C27 | C26 | C25 | H22 | 160.5° | 180.0° |
| C27 | C26 | H23 | H24 | 119.1° | 120.0° |
| C26 | C27 | C29 | H26 | 0.9° | 0.0° |
| C27 | C29 | C28 | H26 | 180.0° | 179.9° |
| C29 | C27 | C26 | H23 | 107.4° | 121.1° |
| C29 | C27 | C26 | H24 | 12.0° | 1.1° |
| C27 | C29 | C28 | H27 | 113.2° | 17.9° |
| C27 | C29 | C28 | H28 | 6.7° | 102.4° |
| C28 | C29 | C27 | H25 | 0.9° | 0.1° |
| C29 | C28 | H27 | H28 | 119.9° | 120.2° |
| H1 | C9 | C8 | H3 | 55.1° | 170.1° |
| H1 | C9 | C8 | H4 | 64.4° | 69.7° |
| H2 | C9 | C8 | H3 | 64.2° | 69.3° |
| H2 | C9 | C8 | H4 | 176.3° | 50.9° |
| H3 | C8 | C7 | H5 | 49.4° | 49.1° |
| H3 | C8 | C7 | H6 | 70.3° | 168.3° |
| H4 | C8 | C7 | H5 | 169.0° | 71.3° |
| H4 | C8 | C7 | H6 | 49.3° | 47.9° |
| H8 | C1 | C6 | H9 | 0.4° | 0.1° |
| H14 | C15 | C16 | H15 | 0.3° | 0.0° |
| H17 | C21 | C30 | H19 | 172.9° | 149.6° |
| H17 | C21 | C30 | H20 | 66.9° | 90.4° |
| H18 | C21 | C30 | H19 | 53.2° | 30.8° |
| H18 | C21 | C30 | H20 | 173.3° | 150.8° |
| H19 | C30 | C25 | H21 | 154.9° | 141.1° |
| H19 | C30 | C25 | H22 | 35.5° | 98.8° |
| H20 | C30 | C25 | H21 | 84.9° | 21.2° |
| H20 | C30 | C25 | H22 | 155.6° | 141.2° |
| H21 | C25 | C26 | H23 | 79.2° | 60.0° |
| H21 | C25 | C26 | H24 | 161.3° | 180.0° |
| H22 | C25 | C26 | H23 | 40.3° | 60.0° |
| H22 | C25 | C26 | H24 | 79.2° | 60.0° |
| H23 | C26 | C27 | H25 | 72.6° | 58.8° |
| H24 | C26 | C27 | H25 | 168.0° | 178.9° |
| H25 | C27 | C29 | H26 | 179.1° | 180.0° |
| H26 | C29 | C28 | H27 | 66.8° | 162.2° |
| H26 | C29 | C28 | H28 | 173.3° | 77.5° |
| H29 | C24 | H30 | H31 | 120.0° | 120.1° |
