Q4V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C17 | sing | 1.74Å | 1.71Å | |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C2 | sing | 1.50Å | 1.52Å | |
| C11 | O1 | sing | 1.42Å | 1.46Å | |
| C11 | C1 | sing | 1.53Å | 1.54Å | |
| C14 | C1 | sing | 1.51Å | 1.55Å | |
| C2 | C3 | sing | 1.52Å | 1.51Å | |
| O1 | C10 | sing | 1.36Å | 1.37Å | |
| C1 | C4 | sing | 1.53Å | 1.54Å | |
| C1 | C12 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C5 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | N1 | sing | 1.44Å | 1.46Å | |
| C9 | N1 | sing | 1.37Å | 1.33Å | |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| N1 | C19 | sing | 1.42Å | 1.49Å | |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C23 | sing | 1.51Å | 1.54Å | |
| O5 | C33 | doub | 1.21Å | 1.25Å | |
| O2 | C23 | sing | 1.43Å | 1.42Å | |
| C19 | C20 | sing | 1.53Å | 1.56Å | |
| C23 | C33 | sing | 1.51Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C33 | O6 | sing | 1.34Å | 1.25Å | |
| C20 | C31 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | sing | 1.51Å | 1.55Å | |
| C31 | C30 | sing | 1.53Å | 1.54Å | |
| O3 | C25 | doub | 1.21Å | 1.24Å | |
| C21 | C30 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C25 | N2 | sing | 1.37Å | 1.34Å | |
| C22 | C29 | sing | 1.51Å | 1.53Å | |
| C22 | O4 | sing | 1.43Å | 1.45Å | |
| N2 | C26 | sing | 1.49Å | 1.47Å | |
| N2 | C32 | sing | 1.47Å | 1.47Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C29 | C28 | doub | 1.31Å | 1.39Å | |
| C28 | C27 | sing | 1.51Å | 1.53Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.08Å | 1.08Å | |
| C6 | H15 | sing | 1.08Å | 1.08Å | |
| C8 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| O4 | H26 | sing | 0.97Å | 0.95Å | |
| C29 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C24 | H37 | sing | 1.09Å | 1.10Å | |
| O6 | H38 | sing | 0.97Å | 0.95Å | |
| O2 | H39 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C17 | C16 | 121.0° | 120.2° |
| CL1 | C17 | C18 | 118.2° | 120.2° |
| C16 | C17 | C18 | 120.8° | 119.7° |
| C17 | C16 | C15 | 118.9° | 119.7° |
| C17 | C16 | H8 | 120.6° | 120.2° |
| C17 | C18 | C13 | 120.5° | 120.8° |
| C17 | C18 | H7 | 119.8° | 119.6° |
| C16 | C15 | C14 | 121.2° | 120.6° |
| C15 | C16 | H8 | 120.5° | 120.1° |
| C16 | C15 | H9 | 119.4° | 119.7° |
| C18 | C13 | C14 | 119.0° | 119.4° |
| C18 | C13 | C2 | 117.5° | 117.7° |
| C13 | C18 | H7 | 119.7° | 119.6° |
| C15 | C14 | C13 | 119.5° | 119.8° |
| C15 | C14 | C1 | 119.9° | 118.2° |
| C14 | C15 | H9 | 119.4° | 119.7° |
| C14 | C13 | C2 | 123.5° | 122.9° |
| C13 | C14 | C1 | 120.6° | 122.0° |
| C13 | C2 | C3 | 111.4° | 112.1° |
| C13 | C2 | H5 | 109.0° | 108.9° |
| C13 | C2 | H6 | 109.0° | 108.9° |
| O1 | C11 | C1 | 111.9° | 111.9° |
| C11 | O1 | C10 | 112.5° | 117.1° |
| O1 | C11 | H12 | 108.9° | 109.0° |
| O1 | C11 | H13 | 108.9° | 109.0° |
| C11 | C1 | C14 | 110.2° | 108.8° |
| C11 | C1 | C4 | 108.3° | 109.7° |
| C11 | C1 | C12 | 107.1° | 110.5° |
| C1 | C11 | H12 | 108.9° | 109.0° |
| C1 | C11 | H13 | 108.9° | 109.0° |
| C14 | C1 | C4 | 112.4° | 109.5° |
| C14 | C1 | C12 | 110.3° | 110.0° |
| C2 | C3 | C4 | 109.7° | 109.3° |
| C2 | C3 | H3 | 109.4° | 109.5° |
| C2 | C3 | H4 | 109.4° | 109.4° |
| C3 | C2 | H5 | 109.0° | 109.0° |
| C3 | C2 | H6 | 109.0° | 109.0° |
| O1 | C10 | C5 | 114.5° | 121.8° |
| O1 | C10 | C9 | 124.9° | 117.7° |
| C4 | C1 | C12 | 108.3° | 108.4° |
| C1 | C4 | C3 | 112.0° | 107.8° |
| C1 | C4 | H1 | 108.9° | 109.8° |
| C1 | C4 | H2 | 108.8° | 109.9° |
| C1 | C12 | N1 | 113.5° | 109.3° |
| C1 | C12 | H10 | 108.5° | 109.5° |
| C1 | C12 | H11 | 108.4° | 109.5° |
| C3 | C4 | H1 | 108.8° | 109.7° |
| C3 | C4 | H2 | 108.8° | 109.8° |
| C4 | C3 | H3 | 109.5° | 109.5° |
| C4 | C3 | H4 | 109.4° | 109.5° |
| C10 | C5 | C6 | 120.6° | 119.4° |
| C5 | C10 | C9 | 120.5° | 120.5° |
| C10 | C5 | H14 | 119.7° | 120.3° |
| C5 | C6 | C7 | 119.2° | 120.5° |
| C6 | C5 | H14 | 119.7° | 120.3° |
| C5 | C6 | H15 | 120.4° | 119.8° |
| C10 | C9 | N1 | 121.0° | 117.2° |
| C10 | C9 | C8 | 118.4° | 119.3° |
| C6 | C7 | C8 | 119.5° | 120.3° |
| C6 | C7 | C23 | 121.8° | 119.9° |
| C7 | C6 | H15 | 120.4° | 119.7° |
| C12 | N1 | C9 | 123.0° | 114.6° |
| C12 | N1 | C19 | 112.8° | 122.5° |
| N1 | C12 | H10 | 108.4° | 109.5° |
| N1 | C12 | H11 | 108.5° | 109.5° |
| N1 | C9 | C8 | 120.6° | 123.5° |
| C9 | N1 | C19 | 122.1° | 122.3° |
| C9 | C8 | C7 | 121.7° | 119.9° |
| C9 | C8 | H16 | 119.1° | 120.1° |
| N1 | C19 | C20 | 112.6° | 114.8° |
| N1 | C19 | H17 | 108.7° | 108.4° |
| N1 | C19 | H18 | 108.7° | 108.4° |
| C8 | C7 | C23 | 118.6° | 119.8° |
| C7 | C8 | H16 | 119.2° | 120.0° |
| C7 | C23 | O2 | 110.7° | 109.5° |
| C7 | C23 | C33 | 106.9° | 109.5° |
| C7 | C23 | C24 | 110.5° | 109.3° |
| O5 | C33 | C23 | 118.7° | 120.0° |
| O5 | C33 | O6 | 125.0° | 120.1° |
| O2 | C23 | C33 | 109.9° | 109.5° |
| O2 | C23 | C24 | 109.3° | 109.5° |
| C23 | O2 | H39 | 109.5° | 114.0° |
| C19 | C20 | C31 | 114.5° | 113.3° |
| C19 | C20 | C21 | 110.7° | 112.3° |
| C20 | C19 | H17 | 108.7° | 108.4° |
| C20 | C19 | H18 | 108.7° | 108.4° |
| C19 | C20 | H19 | 113.8° | 112.7° |
| C33 | C23 | C24 | 109.5° | 109.5° |
| C23 | C33 | O6 | 116.3° | 120.0° |
| C23 | C24 | C25 | 112.4° | 109.3° |
| C23 | C24 | H36 | 108.7° | 109.5° |
| C23 | C24 | H37 | 108.7° | 109.5° |
| C33 | O6 | H38 | 109.5° | 117.0° |
| C31 | C20 | C21 | 87.1° | 90.0° |
| C20 | C31 | C30 | 87.8° | 89.9° |
| C31 | C20 | H19 | 114.0° | 113.2° |
| C20 | C31 | H20 | 114.6° | 113.2° |
| C20 | C31 | H21 | 114.6° | 113.1° |
| C20 | C21 | C30 | 88.2° | 90.1° |
| C20 | C21 | C22 | 115.2° | 113.4° |
| C21 | C20 | H19 | 114.0° | 113.5° |
| C20 | C21 | H24 | 112.0° | 112.8° |
| C24 | C25 | O3 | 120.8° | 120.8° |
| C24 | C25 | N2 | 115.0° | 118.4° |
| C25 | C24 | H36 | 108.7° | 109.5° |
| C25 | C24 | H37 | 108.7° | 109.5° |
| C31 | C30 | C21 | 87.8° | 90.0° |
| C30 | C31 | H20 | 114.6° | 113.2° |
| C30 | C31 | H21 | 114.6° | 113.1° |
| C31 | C30 | H22 | 114.6° | 113.1° |
| C31 | C30 | H23 | 114.6° | 113.2° |
| O3 | C25 | N2 | 124.1° | 120.8° |
| C30 | C21 | C22 | 114.9° | 113.4° |
| C21 | C30 | H22 | 114.6° | 113.1° |
| C21 | C30 | H23 | 114.6° | 113.2° |
| C30 | C21 | H24 | 112.3° | 113.0° |
| C21 | C22 | C29 | 114.3° | 109.3° |
| C21 | C22 | O4 | 106.5° | 109.5° |
| C22 | C21 | H24 | 112.2° | 112.4° |
| C21 | C22 | H25 | 109.0° | 109.5° |
| C25 | N2 | C26 | 122.4° | 114.2° |
| C25 | N2 | C32 | 115.4° | 122.9° |
| C29 | C22 | O4 | 107.9° | 109.5° |
| C22 | C29 | C28 | 118.4° | 119.9° |
| C29 | C22 | H25 | 109.0° | 109.5° |
| C22 | C29 | H27 | 120.8° | 119.8° |
| O4 | C22 | H25 | 110.1° | 109.5° |
| C22 | O4 | H26 | 109.5° | 114.1° |
| C26 | N2 | C32 | 122.1° | 122.9° |
| N2 | C26 | C27 | 110.1° | 108.2° |
| N2 | C26 | H31 | 109.3° | 109.7° |
| N2 | C26 | H32 | 109.3° | 109.7° |
| N2 | C32 | H33 | 109.5° | 109.5° |
| N2 | C32 | H34 | 109.5° | 109.5° |
| N2 | C32 | H35 | 109.5° | 109.5° |
| C26 | C27 | C28 | 111.0° | 109.6° |
| C26 | C27 | H29 | 109.1° | 109.5° |
| C26 | C27 | H30 | 109.1° | 109.4° |
| C27 | C26 | H31 | 109.3° | 109.7° |
| C27 | C26 | H32 | 109.3° | 109.7° |
| C29 | C28 | C27 | 121.3° | 120.1° |
| C28 | C29 | H27 | 120.8° | 120.3° |
| C29 | C28 | H28 | 119.4° | 120.0° |
| C27 | C28 | H28 | 119.3° | 119.9° |
| C28 | C27 | H29 | 109.1° | 109.4° |
| C28 | C27 | H30 | 109.1° | 109.4° |
| H1 | C4 | H2 | 109.5° | 109.7° |
| H3 | C3 | H4 | 109.5° | 109.6° |
| H5 | C2 | H6 | 109.5° | 108.9° |
| H10 | C12 | H11 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.4° | 108.9° |
| H17 | C19 | H18 | 109.5° | 108.2° |
| H20 | C31 | H21 | 109.5° | 112.5° |
| H22 | C30 | H23 | 109.5° | 112.5° |
| H29 | C27 | H30 | 109.5° | 109.5° |
| H31 | C26 | H32 | 109.5° | 109.7° |
| H33 | C32 | H34 | 109.5° | 109.5° |
| H33 | C32 | H35 | 109.5° | 109.5° |
| H34 | C32 | H35 | 109.5° | 109.4° |
| H36 | C24 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C17 | C16 | C18 | 179.3° | 180.0° |
| CL1 | C17 | C16 | C15 | 179.4° | 179.6° |
| CL1 | C17 | C18 | C13 | 179.8° | 179.5° |
| CL1 | C17 | C18 | H7 | 0.3° | 0.5° |
| CL1 | C17 | C16 | H8 | 0.6° | 0.5° |
| C17 | C16 | C15 | H8 | 180.0° | 179.9° |
| C16 | C17 | C18 | C13 | 0.9° | 0.5° |
| C17 | C16 | C15 | C14 | 1.2° | 0.5° |
| C16 | C17 | C18 | H7 | 179.1° | 179.5° |
| C17 | C16 | C15 | H9 | 178.7° | 179.5° |
| C18 | C17 | C16 | C15 | 1.3° | 0.4° |
| C17 | C18 | C13 | H7 | 180.0° | 180.0° |
| C17 | C18 | C13 | C14 | 0.5° | 0.3° |
| C17 | C18 | C13 | C2 | 179.3° | 179.7° |
| C18 | C17 | C16 | H8 | 178.7° | 179.5° |
| C16 | C15 | C14 | H9 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.8° | 1.3° |
| C16 | C15 | C14 | C1 | 179.2° | 176.8° |
| C18 | C13 | C14 | C15 | 0.4° | 1.2° |
| C18 | C13 | C14 | C2 | 179.8° | 179.3° |
| C18 | C13 | C14 | C1 | 179.6° | 176.9° |
| C18 | C13 | C2 | C3 | 158.9° | 171.5° |
| C18 | C13 | C2 | H5 | 80.8° | 50.9° |
| C18 | C13 | C2 | H6 | 38.6° | 67.8° |
| C15 | C14 | C13 | C1 | 179.9° | 178.1° |
| C15 | C14 | C13 | C2 | 179.4° | 179.4° |
| C15 | C14 | C1 | C11 | 49.6° | 36.8° |
| C15 | C14 | C1 | C4 | 170.5° | 156.6° |
| C15 | C14 | C1 | C12 | 68.5° | 84.4° |
| C14 | C15 | C16 | H8 | 178.7° | 179.6° |
| C13 | C14 | C1 | C11 | 130.5° | 141.3° |
| C14 | C13 | C2 | C3 | 20.9° | 9.1° |
| C13 | C14 | C1 | C4 | 9.6° | 21.5° |
| C13 | C14 | C1 | C12 | 111.4° | 97.5° |
| C14 | C13 | C2 | H5 | 99.4° | 129.8° |
| C14 | C13 | C2 | H6 | 141.2° | 111.6° |
| C14 | C13 | C18 | H7 | 179.5° | 179.6° |
| C13 | C14 | C15 | H9 | 179.1° | 178.7° |
| C2 | C13 | C14 | C1 | 0.6° | 2.5° |
| C13 | C2 | C3 | H5 | 120.3° | 120.6° |
| C13 | C2 | C3 | H6 | 120.3° | 120.6° |
| C13 | C2 | C3 | C4 | 51.8° | 44.1° |
| C13 | C2 | C3 | H3 | 171.8° | 75.9° |
| C13 | C2 | C3 | H4 | 68.2° | 164.0° |
| C13 | C2 | H5 | H6 | 119.1° | 118.7° |
| C2 | C13 | C18 | H7 | 0.7° | 0.3° |
| O1 | C11 | C1 | H12 | 120.4° | 120.6° |
| O1 | C11 | C1 | H13 | 120.4° | 120.7° |
| O1 | C11 | C1 | C14 | 83.3° | 176.6° |
| O1 | C11 | C1 | C4 | 153.3° | 56.9° |
| O1 | C11 | C1 | C12 | 36.8° | 62.6° |
| C11 | O1 | C10 | C5 | 132.6° | 110.3° |
| C11 | O1 | C10 | C9 | 46.3° | 69.9° |
| O1 | C11 | H12 | H13 | 118.9° | 118.8° |
| C11 | C1 | C14 | C4 | 120.9° | 119.9° |
| C11 | C1 | C14 | C12 | 118.0° | 121.2° |
| C1 | C11 | O1 | C10 | 92.4° | 85.8° |
| C11 | C1 | C4 | C12 | 115.8° | 120.8° |
| C11 | C1 | C4 | C3 | 163.5° | 175.1° |
| C11 | C1 | C12 | N1 | 48.8° | 64.6° |
| C11 | C1 | C4 | H1 | 76.2° | 55.5° |
| C11 | C1 | C4 | H2 | 43.1° | 65.3° |
| C11 | C1 | C12 | H10 | 169.3° | 175.5° |
| C11 | C1 | C12 | H11 | 71.8° | 55.3° |
| C1 | C11 | H12 | H13 | 118.9° | 118.8° |
| C14 | C1 | C4 | C12 | 122.2° | 120.0° |
| C14 | C1 | C4 | C3 | 41.4° | 55.8° |
| C14 | C1 | C12 | N1 | 168.7° | 175.4° |
| C14 | C1 | C4 | H1 | 161.8° | 63.7° |
| C14 | C1 | C4 | H2 | 78.9° | 175.5° |
| C1 | C14 | C15 | H9 | 0.8° | 3.2° |
| C14 | C1 | C12 | H10 | 70.7° | 55.4° |
| C14 | C1 | C12 | H11 | 48.1° | 64.8° |
| C14 | C1 | C11 | H12 | 156.3° | 62.8° |
| C14 | C1 | C11 | H13 | 37.1° | 55.9° |
| C2 | C3 | C4 | C1 | 64.1° | 69.1° |
| C2 | C3 | C4 | H3 | 120.0° | 119.9° |
| C2 | C3 | C4 | H4 | 120.0° | 119.9° |
| C2 | C3 | C4 | H1 | 175.5° | 50.5° |
| C2 | C3 | C4 | H2 | 56.3° | 171.2° |
| C2 | C3 | H3 | H4 | 119.9° | 120.0° |
| C3 | C2 | H5 | H6 | 119.1° | 118.8° |
| O1 | C10 | C5 | C9 | 179.0° | 179.7° |
| O1 | C10 | C5 | C6 | 178.5° | 179.1° |
| O1 | C10 | C9 | N1 | 4.2° | 0.8° |
| O1 | C10 | C9 | C8 | 178.9° | 178.8° |
| C10 | O1 | C11 | H12 | 28.0° | 34.8° |
| C10 | O1 | C11 | H13 | 147.2° | 153.5° |
| O1 | C10 | C5 | H14 | 1.5° | 0.9° |
| C1 | C4 | C3 | H1 | 120.4° | 119.5° |
| C1 | C4 | C3 | H2 | 120.4° | 119.8° |
| C4 | C1 | C12 | N1 | 67.8° | 55.7° |
| C1 | C4 | H1 | H2 | 118.9° | 120.9° |
| C1 | C4 | C3 | H3 | 175.9° | 50.9° |
| C1 | C4 | C3 | H4 | 55.9° | 171.1° |
| C4 | C1 | C12 | H10 | 52.8° | 64.3° |
| C4 | C1 | C12 | H11 | 171.6° | 175.6° |
| C4 | C1 | C11 | H12 | 33.0° | 177.5° |
| C4 | C1 | C11 | H13 | 86.3° | 63.8° |
| C12 | C1 | C4 | C3 | 80.8° | 64.2° |
| C1 | C12 | N1 | H10 | 120.6° | 120.0° |
| C1 | C12 | N1 | H11 | 120.6° | 119.9° |
| C1 | C12 | N1 | C9 | 80.7° | 90.4° |
| C1 | C12 | N1 | C19 | 115.6° | 98.6° |
| C12 | C1 | C4 | H1 | 39.6° | 176.3° |
| C12 | C1 | C4 | H2 | 158.8° | 55.5° |
| C1 | C12 | H10 | H11 | 118.1° | 120.1° |
| C12 | C1 | C11 | H12 | 83.6° | 58.0° |
| C12 | C1 | C11 | H13 | 157.1° | 176.8° |
| C3 | C4 | H1 | H2 | 118.8° | 120.7° |
| C4 | C3 | H3 | H4 | 119.9° | 120.2° |
| C4 | C3 | C2 | H5 | 68.5° | 164.7° |
| C4 | C3 | C2 | H6 | 172.1° | 76.6° |
| C10 | C5 | C6 | H14 | 180.0° | 180.0° |
| C10 | C5 | C6 | C7 | 0.9° | 0.1° |
| C5 | C10 | C9 | N1 | 176.9° | 178.9° |
| C5 | C10 | C9 | C8 | 0.0° | 1.5° |
| C10 | C5 | C6 | H15 | 179.0° | 180.0° |
| C6 | C5 | C10 | C9 | 0.5° | 1.2° |
| C5 | C6 | C7 | H15 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.8° | 1.2° |
| C5 | C6 | C7 | C23 | 179.1° | 178.6° |
| C10 | C9 | N1 | C12 | 21.8° | 73.1° |
| C10 | C9 | N1 | C8 | 176.8° | 179.6° |
| C10 | C9 | N1 | C19 | 176.0° | 115.9° |
| C10 | C9 | C8 | C7 | 0.2° | 0.4° |
| C9 | C10 | C5 | H14 | 179.5° | 178.8° |
| C10 | C9 | C8 | H16 | 179.9° | 179.5° |
| C6 | C7 | C8 | C9 | 0.3° | 0.9° |
| C6 | C7 | C8 | C23 | 178.3° | 179.7° |
| C6 | C7 | C23 | O2 | 3.8° | 161.3° |
| C6 | C7 | C23 | C33 | 123.5° | 41.3° |
| C6 | C7 | C23 | C24 | 117.4° | 78.7° |
| C7 | C6 | C5 | H14 | 179.1° | 179.9° |
| C6 | C7 | C8 | H16 | 179.7° | 179.2° |
| C12 | N1 | C9 | C19 | 162.2° | 171.0° |
| C12 | N1 | C9 | C8 | 155.0° | 106.5° |
| C12 | N1 | C19 | C20 | 85.7° | 66.3° |
| N1 | C12 | H10 | H11 | 118.2° | 120.1° |
| C12 | N1 | C19 | H17 | 153.8° | 172.4° |
| C12 | N1 | C19 | H18 | 34.8° | 55.1° |
| N1 | C9 | C8 | C7 | 177.0° | 180.0° |
| C9 | N1 | C19 | C20 | 78.2° | 104.0° |
| C9 | N1 | C12 | H10 | 158.7° | 149.6° |
| C9 | N1 | C12 | H11 | 39.9° | 29.5° |
| N1 | C9 | C8 | H16 | 3.0° | 0.1° |
| C9 | N1 | C19 | H17 | 42.3° | 17.3° |
| C9 | N1 | C19 | H18 | 161.4° | 134.6° |
| C8 | C9 | N1 | C19 | 7.2° | 64.5° |
| C9 | C8 | C7 | H16 | 180.0° | 179.9° |
| C9 | C8 | C7 | C23 | 178.6° | 178.8° |
| N1 | C19 | C20 | H17 | 120.5° | 121.4° |
| N1 | C19 | C20 | H18 | 120.4° | 121.4° |
| N1 | C19 | C20 | C31 | 81.7° | 102.8° |
| N1 | C19 | C20 | C21 | 178.1° | 157.0° |
| C19 | N1 | C12 | H10 | 5.0° | 21.4° |
| C19 | N1 | C12 | H11 | 123.9° | 141.5° |
| N1 | C19 | H17 | H18 | 118.6° | 117.4° |
| N1 | C19 | C20 | H19 | 51.9° | 27.4° |
| C8 | C7 | C23 | O2 | 174.5° | 18.4° |
| C8 | C7 | C23 | C33 | 54.8° | 138.5° |
| C8 | C7 | C23 | C24 | 64.3° | 101.6° |
| C8 | C7 | C6 | H15 | 179.2° | 178.9° |
| C7 | C23 | C33 | O5 | 85.2° | 95.0° |
| C7 | C23 | O2 | C33 | 117.8° | 120.0° |
| C7 | C23 | O2 | C24 | 121.9° | 119.9° |
| C7 | C23 | C33 | C24 | 119.7° | 119.8° |
| C7 | C23 | C33 | O6 | 93.2° | 85.1° |
| C7 | C23 | C24 | C25 | 179.7° | 114.5° |
| C23 | C7 | C6 | H15 | 0.9° | 1.4° |
| C23 | C7 | C8 | H16 | 1.4° | 1.1° |
| C7 | C23 | C24 | H36 | 59.3° | 5.5° |
| C7 | C23 | C24 | H37 | 59.8° | 125.5° |
| C7 | C23 | O2 | H39 | 102.7° | 59.9° |
| O5 | C33 | C23 | O2 | 35.0° | 144.9° |
| O5 | C33 | C23 | O6 | 178.4° | 180.0° |
| O5 | C33 | C23 | C24 | 155.1° | 24.8° |
| O5 | C33 | O6 | H38 | 0.0° | 0.1° |
| O2 | C23 | C33 | C24 | 120.1° | 120.1° |
| O2 | C23 | C33 | O6 | 146.6° | 35.0° |
| O2 | C23 | C24 | C25 | 58.3° | 5.5° |
| O2 | C23 | C24 | H36 | 178.7° | 125.5° |
| O2 | C23 | C24 | H37 | 62.2° | 114.5° |
| C19 | C20 | C31 | C21 | 111.4° | 114.4° |
| C19 | C20 | C31 | H19 | 133.5° | 129.9° |
| C19 | C20 | C21 | H19 | 129.8° | 129.2° |
| C19 | C20 | C31 | C30 | 133.9° | 116.2° |
| C19 | C20 | C21 | C30 | 137.8° | 117.1° |
| C19 | C20 | C21 | C22 | 105.5° | 127.2° |
| C20 | C19 | H17 | H18 | 118.6° | 117.4° |
| C19 | C20 | C31 | H20 | 17.8° | 0.9° |
| C19 | C20 | C31 | H21 | 110.0° | 128.5° |
| C19 | C20 | C21 | H24 | 24.4° | 2.1° |
| C33 | C23 | C24 | C25 | 62.2° | 125.6° |
| C33 | C23 | C24 | H36 | 58.2° | 114.4° |
| C33 | C23 | C24 | H37 | 177.3° | 5.6° |
| C23 | C33 | O6 | H38 | 178.3° | 180.0° |
| C33 | C23 | O2 | H39 | 15.1° | 60.1° |
| C24 | C23 | C33 | O6 | 26.6° | 155.1° |
| C23 | C24 | C25 | H36 | 120.4° | 120.0° |
| C23 | C24 | C25 | H37 | 120.5° | 120.0° |
| C23 | C24 | C25 | O3 | 2.5° | 33.3° |
| C23 | C24 | C25 | N2 | 176.3° | 146.7° |
| C23 | C24 | H36 | H37 | 118.6° | 120.1° |
| C24 | C23 | O2 | H39 | 135.4° | 179.8° |
| C31 | C20 | C21 | H19 | 115.0° | 115.5° |
| C20 | C31 | C30 | H20 | 116.1° | 115.3° |
| C20 | C31 | C30 | H21 | 116.1° | 115.2° |
| C31 | C20 | C21 | C30 | 22.6° | 1.8° |
| C31 | C20 | C21 | C22 | 139.4° | 117.5° |
| C31 | C20 | C19 | H17 | 157.9° | 135.8° |
| C31 | C20 | C19 | H18 | 38.8° | 18.6° |
| C20 | C31 | H20 | H21 | 130.3° | 129.8° |
| C20 | C31 | C30 | H22 | 138.8° | 117.1° |
| C20 | C31 | C30 | H23 | 93.4° | 113.5° |
| C31 | C20 | C21 | H24 | 90.7° | 113.3° |
| C20 | C21 | C30 | C22 | 117.0° | 115.7° |
| C20 | C21 | C30 | H24 | 113.1° | 114.9° |
| C20 | C21 | C22 | H24 | 129.8° | 129.4° |
| C20 | C21 | C22 | C29 | 64.6° | 115.5° |
| C20 | C21 | C22 | O4 | 176.3° | 4.5° |
| C21 | C20 | C19 | H17 | 61.4° | 35.7° |
| C21 | C20 | C19 | H18 | 57.7° | 81.6° |
| C21 | C20 | C31 | H20 | 93.6° | 113.5° |
| C21 | C20 | C31 | H21 | 138.6° | 117.1° |
| C20 | C21 | C30 | H22 | 138.8° | 117.1° |
| C20 | C21 | C30 | H23 | 93.4° | 113.5° |
| C20 | C21 | C22 | H25 | 57.6° | 124.6° |
| C24 | C25 | O3 | N2 | 178.6° | 180.0° |
| C24 | C25 | N2 | C26 | 0.3° | 179.0° |
| C24 | C25 | N2 | C32 | 179.4° | 1.0° |
| C25 | C24 | H36 | H37 | 118.6° | 120.1° |
| C31 | C30 | C21 | H22 | 116.1° | 115.3° |
| C31 | C30 | C21 | H23 | 116.1° | 115.3° |
| C31 | C30 | C21 | C22 | 139.7° | 117.5° |
| C30 | C31 | C20 | H19 | 92.6° | 113.8° |
| C30 | C31 | H20 | H21 | 130.3° | 129.8° |
| C31 | C30 | H22 | H23 | 130.3° | 129.7° |
| C31 | C30 | C21 | H24 | 90.4° | 113.1° |
| O3 | C25 | N2 | C26 | 178.4° | 1.0° |
| O3 | C25 | N2 | C32 | 0.7° | 179.0° |
| O3 | C25 | C24 | H36 | 122.9° | 153.3° |
| O3 | C25 | C24 | H37 | 118.0° | 86.7° |
| C30 | C21 | C22 | H24 | 129.9° | 129.7° |
| C30 | C21 | C22 | C29 | 35.7° | 143.6° |
| C30 | C21 | C22 | O4 | 83.4° | 96.4° |
| C30 | C21 | C20 | H19 | 92.4° | 113.6° |
| C21 | C30 | C31 | H20 | 93.4° | 113.5° |
| C21 | C30 | C31 | H21 | 138.8° | 117.0° |
| C21 | C30 | H22 | H23 | 130.3° | 129.8° |
| C30 | C21 | C22 | H25 | 157.9° | 23.7° |
| C21 | C22 | C29 | O4 | 118.3° | 120.0° |
| C21 | C22 | C29 | H25 | 122.2° | 119.9° |
| C21 | C22 | O4 | H25 | 118.0° | 120.0° |
| C21 | C22 | C29 | C28 | 139.4° | 149.2° |
| C22 | C21 | C20 | H19 | 24.4° | 2.0° |
| C22 | C21 | C30 | H22 | 104.2° | 127.2° |
| C22 | C21 | C30 | H23 | 23.6° | 2.2° |
| C21 | C22 | O4 | H26 | 180.0° | 180.0° |
| C21 | C22 | C29 | H27 | 40.6° | 30.8° |
| C25 | N2 | C26 | C32 | 179.1° | 179.9° |
| C25 | N2 | C26 | C27 | 111.8° | 118.9° |
| C25 | N2 | C26 | H31 | 8.2° | 121.4° |
| C25 | N2 | C26 | H32 | 128.1° | 0.8° |
| C25 | N2 | C32 | H33 | 180.0° | 90.1° |
| C25 | N2 | C32 | H34 | 60.0° | 30.0° |
| C25 | N2 | C32 | H35 | 60.0° | 149.9° |
| N2 | C25 | C24 | H36 | 55.9° | 26.7° |
| N2 | C25 | C24 | H37 | 63.3° | 93.3° |
| C29 | C22 | O4 | H25 | 118.8° | 120.1° |
| C22 | C29 | C28 | H27 | 180.0° | 180.0° |
| C22 | C29 | C28 | C27 | 179.8° | 179.9° |
| C29 | C22 | C21 | H24 | 165.6° | 13.9° |
| C29 | C22 | O4 | H26 | 56.8° | 60.2° |
| C22 | C29 | C28 | H28 | 0.2° | 0.4° |
| O4 | C22 | C29 | C28 | 102.3° | 29.3° |
| O4 | C22 | C21 | H24 | 46.5° | 134.0° |
| O4 | C22 | C29 | H27 | 77.7° | 150.8° |
| N2 | C26 | C27 | H31 | 120.1° | 119.6° |
| N2 | C26 | C27 | H32 | 120.1° | 119.7° |
| N2 | C26 | C27 | C28 | 72.7° | 86.9° |
| N2 | C26 | C27 | H29 | 167.0° | 33.1° |
| N2 | C26 | C27 | H30 | 47.5° | 153.1° |
| N2 | C26 | H31 | H32 | 119.7° | 120.6° |
| C26 | N2 | C32 | H33 | 0.9° | 90.0° |
| C26 | N2 | C32 | H34 | 120.9° | 150.0° |
| C26 | N2 | C32 | H35 | 119.2° | 30.0° |
| C32 | N2 | C26 | C27 | 67.2° | 61.0° |
| C32 | N2 | C26 | H31 | 172.7° | 58.6° |
| C32 | N2 | C26 | H32 | 52.9° | 179.2° |
| N2 | C32 | H33 | H34 | 120.0° | 120.0° |
| N2 | C32 | H33 | H35 | 120.0° | 120.0° |
| N2 | C32 | H34 | H35 | 120.0° | 120.0° |
| C26 | C27 | C28 | C29 | 117.2° | 147.8° |
| C26 | C27 | C28 | H29 | 120.2° | 120.1° |
| C26 | C27 | C28 | H30 | 120.2° | 119.9° |
| C26 | C27 | C28 | H28 | 62.8° | 32.5° |
| C26 | C27 | H29 | H30 | 119.3° | 119.9° |
| C27 | C26 | H31 | H32 | 119.7° | 120.6° |
| C29 | C28 | C27 | H28 | 180.0° | 179.7° |
| C28 | C29 | C22 | H25 | 17.2° | 90.8° |
| C29 | C28 | C27 | H29 | 3.0° | 27.7° |
| C29 | C28 | C27 | H30 | 122.5° | 92.3° |
| C27 | C28 | C29 | H27 | 0.2° | 0.1° |
| C28 | C27 | H29 | H30 | 119.3° | 120.0° |
| C28 | C27 | C26 | H31 | 47.3° | 153.4° |
| C28 | C27 | C26 | H32 | 167.1° | 32.8° |
| H1 | C4 | C3 | H3 | 55.5° | 170.4° |
| H1 | C4 | C3 | H4 | 64.5° | 69.4° |
| H2 | C4 | C3 | H3 | 63.7° | 68.9° |
| H2 | C4 | C3 | H4 | 176.3° | 51.3° |
| H3 | C3 | C2 | H5 | 51.5° | 44.7° |
| H3 | C3 | C2 | H6 | 67.9° | 163.5° |
| H4 | C3 | C2 | H5 | 171.5° | 75.4° |
| H4 | C3 | C2 | H6 | 52.1° | 43.3° |
| H8 | C16 | C15 | H9 | 1.3° | 0.5° |
| H14 | C5 | C6 | H15 | 1.0° | 0.0° |
| H17 | C19 | C20 | H19 | 68.5° | 94.0° |
| H18 | C19 | C20 | H19 | 172.4° | 148.8° |
| H19 | C20 | C31 | H20 | 151.3° | 130.8° |
| H19 | C20 | C31 | H21 | 23.6° | 1.4° |
| H19 | C20 | C21 | H24 | 154.3° | 131.3° |
| H20 | C31 | C30 | H22 | 22.7° | 1.8° |
| H20 | C31 | C30 | H23 | 150.5° | 131.2° |
| H21 | C31 | C30 | H22 | 105.1° | 127.7° |
| H21 | C31 | C30 | H23 | 22.7° | 1.7° |
| H22 | C30 | C21 | H24 | 25.7° | 2.2° |
| H23 | C30 | C21 | H24 | 153.5° | 131.6° |
| H24 | C21 | C22 | H25 | 72.2° | 106.0° |
| H25 | C22 | O4 | H26 | 62.0° | 59.9° |
| H25 | C22 | C29 | H27 | 162.8° | 89.1° |
| H27 | C29 | C28 | H28 | 179.8° | 179.6° |
| H28 | C28 | C27 | H29 | 177.0° | 152.5° |
| H28 | C28 | C27 | H30 | 57.4° | 87.4° |
| H29 | C27 | C26 | H31 | 72.9° | 86.5° |
| H29 | C27 | C26 | H32 | 46.9° | 152.9° |
| H30 | C27 | C26 | H31 | 167.6° | 33.5° |
| H30 | C27 | C26 | H32 | 72.6° | 87.2° |
| H33 | C32 | H34 | H35 | 120.0° | 120.0° |
