QWF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.48Å | 1.47Å | |
| O2 | C1 | doub | 1.21Å | 1.27Å | |
| C15 | C16 | doub | 1.33Å | 1.32Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| O13 | C46 | doub | 1.21Å | 1.24Å | |
| O4 | C5 | doub | 1.21Å | 1.25Å | |
| O6 | C12 | doub | 1.21Å | 1.23Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| O7 | C23 | doub | 1.21Å | 1.24Å | |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C13 | N4 | sing | 1.47Å | 1.46Å | |
| C1 | O1 | sing | 1.34Å | 1.26Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C5 | O3 | sing | 1.34Å | 1.26Å | |
| C5 | C4 | sing | 1.51Å | 1.52Å | |
| C46 | C45 | sing | 1.51Å | 1.53Å | |
| C46 | O14 | sing | 1.34Å | 1.24Å | |
| C12 | N3 | sing | 1.35Å | 1.34Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C45 | N8 | sing | 1.47Å | 1.46Å | |
| C23 | N4 | sing | 1.35Å | 1.35Å | |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C2 | N1 | sing | 1.47Å | 1.45Å | |
| C24 | C29 | sing | 1.53Å | 1.54Å | |
| N3 | C11 | sing | 1.47Å | 1.46Å | |
| N8 | C38 | sing | 1.47Å | 1.47Å | |
| N8 | C39 | sing | 1.47Å | 1.47Å | |
| C27 | C30 | sing | 1.53Å | 1.52Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.50Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C38 | C37 | sing | 1.53Å | 1.51Å | |
| O5 | C6 | doub | 1.22Å | 1.25Å | |
| C39 | C40 | sing | 1.53Å | 1.52Å | |
| C40 | N9 | sing | 1.47Å | 1.47Å | |
| N1 | C6 | sing | 1.35Å | 1.35Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| C43 | C44 | sing | 1.51Å | 1.53Å | |
| C43 | N9 | sing | 1.47Å | 1.49Å | |
| C6 | N2 | sing | 1.35Å | 1.35Å | |
| O12 | C44 | doub | 1.21Å | 1.26Å | |
| C44 | O11 | sing | 1.34Å | 1.26Å | |
| C30 | N5 | sing | 1.47Å | 1.46Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.55Å | |
| N9 | C41 | sing | 1.47Å | 1.47Å | |
| O9 | C36 | doub | 1.21Å | 1.25Å | |
| C37 | N7 | sing | 1.47Å | 1.47Å | |
| C35 | C36 | sing | 1.51Å | 1.53Å | |
| C35 | N7 | sing | 1.47Å | 1.48Å | |
| N2 | C7 | sing | 1.46Å | 1.46Å | |
| N5 | C31 | sing | 1.35Å | 1.34Å | |
| C36 | O10 | sing | 1.34Å | 1.26Å | |
| C7 | C47 | sing | 1.51Å | 1.54Å | |
| N7 | C34 | sing | 1.47Å | 1.47Å | |
| C41 | C42 | sing | 1.53Å | 1.52Å | |
| C31 | O8 | doub | 1.21Å | 1.23Å | |
| C31 | C32 | sing | 1.51Å | 1.52Å | |
| N6 | C42 | sing | 1.47Å | 1.47Å | |
| N6 | C33 | sing | 1.47Å | 1.47Å | |
| N6 | C32 | sing | 1.47Å | 1.48Å | |
| C47 | O15 | doub | 1.21Å | 1.25Å | |
| C47 | O16 | sing | 1.34Å | 1.26Å | |
| C34 | C33 | sing | 1.53Å | 1.52Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | 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 | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C4 | H22 | sing | 1.09Å | 1.10Å | |
| C4 | H23 | sing | 1.09Å | 1.10Å | |
| O1 | H24 | sing | 0.97Å | 0.95Å | |
| C2 | H25 | sing | 1.09Å | 1.10Å | |
| O3 | H26 | sing | 0.97Å | 0.95Å | |
| N1 | H27 | sing | 0.97Å | 1.00Å | |
| N2 | H28 | sing | 0.97Å | 1.00Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å | |
| C9 | H30 | sing | 1.09Å | 1.10Å | |
| C11 | H31 | sing | 1.09Å | 1.10Å | |
| C11 | H32 | sing | 1.09Å | 1.10Å | |
| N3 | H33 | sing | 0.97Å | 1.00Å | |
| C15 | H34 | sing | 1.08Å | 1.08Å | |
| C19 | H35 | sing | 1.08Å | 1.08Å | |
| C21 | H36 | sing | 1.08Å | 1.08Å | |
| N4 | H37 | sing | 0.97Å | 1.00Å | |
| C28 | H38 | sing | 1.09Å | 1.10Å | |
| C28 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | H41 | sing | 1.09Å | 1.10Å | |
| C30 | H42 | sing | 1.09Å | 1.10Å | |
| C30 | H43 | sing | 1.09Å | 1.10Å | |
| N5 | H44 | sing | 0.97Å | 1.00Å | |
| C32 | H45 | sing | 1.09Å | 1.10Å | |
| C32 | H46 | sing | 1.09Å | 1.10Å | |
| C33 | H48 | sing | 1.09Å | 1.10Å | |
| C33 | H49 | sing | 1.09Å | 1.10Å | |
| C34 | H50 | sing | 1.09Å | 1.10Å | |
| C34 | H51 | sing | 1.09Å | 1.10Å | |
| C35 | H53 | sing | 1.09Å | 1.10Å | |
| C35 | H54 | sing | 1.09Å | 1.10Å | |
| O10 | H55 | sing | 0.97Å | 0.95Å | |
| C37 | H56 | sing | 1.09Å | 1.10Å | |
| C37 | H57 | sing | 1.09Å | 1.10Å | |
| C38 | H58 | sing | 1.09Å | 1.10Å | |
| C38 | H59 | sing | 1.09Å | 1.10Å | |
| C39 | H61 | sing | 1.09Å | 1.10Å | |
| C39 | H62 | sing | 1.09Å | 1.10Å | |
| C40 | H63 | sing | 1.09Å | 1.10Å | |
| C40 | H64 | sing | 1.09Å | 1.10Å | |
| C41 | H65 | sing | 1.09Å | 1.10Å | |
| C41 | H66 | sing | 1.09Å | 1.10Å | |
| C42 | H67 | sing | 1.09Å | 1.10Å | |
| C42 | H68 | sing | 1.09Å | 1.10Å | |
| C43 | H69 | sing | 1.09Å | 1.10Å | |
| C43 | H70 | sing | 1.09Å | 1.10Å | |
| O11 | H71 | sing | 0.97Å | 0.95Å | |
| C45 | H72 | sing | 1.09Å | 1.10Å | |
| C45 | H73 | sing | 1.09Å | 1.10Å | |
| O14 | H74 | sing | 0.97Å | 0.95Å | |
| O16 | H75 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C21 | C22 | 120.1° | 120.2° |
| C21 | C20 | C19 | 119.8° | 120.3° |
| C21 | C20 | H11 | 120.1° | 119.8° |
| C20 | C21 | H36 | 119.9° | 119.9° |
| C21 | C22 | C17 | 121.0° | 119.9° |
| C21 | C22 | H13 | 119.5° | 120.1° |
| C22 | C21 | H36 | 120.0° | 119.9° |
| C20 | C19 | C18 | 120.2° | 120.1° |
| C19 | C20 | H11 | 120.1° | 119.9° |
| C20 | C19 | H35 | 119.9° | 119.9° |
| C22 | C17 | C18 | 117.8° | 119.7° |
| C22 | C17 | C16 | 122.5° | 120.2° |
| C17 | C22 | H13 | 119.5° | 120.0° |
| C19 | C18 | C17 | 121.1° | 119.9° |
| C19 | C18 | H12 | 119.4° | 120.0° |
| C18 | C19 | H35 | 119.9° | 120.0° |
| C18 | C17 | C16 | 119.8° | 120.2° |
| C17 | C18 | H12 | 119.4° | 120.0° |
| C17 | C16 | C15 | 128.1° | 120.0° |
| C17 | C16 | H20 | 116.0° | 120.0° |
| O2 | C1 | O1 | 125.5° | 120.0° |
| O2 | C1 | C2 | 116.9° | 120.0° |
| C16 | C15 | C14 | 125.9° | 120.0° |
| C15 | C16 | H20 | 116.0° | 120.0° |
| C16 | C15 | H34 | 117.1° | 120.0° |
| C15 | C14 | C13 | 110.5° | 109.5° |
| C15 | C14 | H9 | 109.2° | 109.5° |
| C15 | C14 | H10 | 109.2° | 109.5° |
| C14 | C15 | H34 | 117.1° | 120.0° |
| O13 | C46 | C45 | 116.5° | 120.0° |
| O13 | C46 | O14 | 125.5° | 120.0° |
| O4 | C5 | O3 | 123.4° | 120.0° |
| O4 | C5 | C4 | 117.7° | 120.0° |
| O6 | C12 | C13 | 120.0° | 120.0° |
| O6 | C12 | N3 | 122.2° | 120.1° |
| C14 | C13 | C12 | 111.1° | 109.5° |
| C14 | C13 | N4 | 112.3° | 109.5° |
| C13 | C14 | H9 | 109.2° | 109.5° |
| C13 | C14 | H10 | 109.2° | 109.5° |
| C14 | C13 | H21 | 107.1° | 109.5° |
| O7 | C23 | N4 | 122.6° | 120.0° |
| O7 | C23 | C24 | 120.2° | 120.0° |
| C12 | C13 | N4 | 110.6° | 109.5° |
| C13 | C12 | N3 | 117.8° | 120.0° |
| C12 | C13 | H21 | 107.3° | 109.5° |
| C13 | N4 | C23 | 122.7° | 120.0° |
| N4 | C13 | H21 | 108.1° | 109.5° |
| C13 | N4 | H37 | 118.7° | 120.0° |
| O1 | C1 | C2 | 117.6° | 120.0° |
| C1 | O1 | H24 | 109.5° | 117.0° |
| C1 | C2 | C3 | 108.4° | 109.4° |
| C1 | C2 | N1 | 110.8° | 109.4° |
| C1 | C2 | H25 | 108.3° | 109.5° |
| O3 | C5 | C4 | 118.9° | 120.0° |
| C5 | O3 | H26 | 109.5° | 117.0° |
| C5 | C4 | C3 | 117.9° | 109.5° |
| C5 | C4 | H22 | 107.3° | 109.5° |
| C5 | C4 | H23 | 107.3° | 109.4° |
| C45 | C46 | O14 | 118.0° | 120.0° |
| C46 | C45 | N8 | 116.0° | 109.4° |
| C46 | C45 | H72 | 107.8° | 109.4° |
| C46 | C45 | H73 | 107.8° | 109.5° |
| C46 | O14 | H74 | 109.5° | 117.0° |
| C12 | N3 | C11 | 122.4° | 120.0° |
| C12 | N3 | H33 | 118.8° | 120.0° |
| C26 | C25 | C24 | 111.4° | 109.5° |
| C25 | C26 | C27 | 114.3° | 109.5° |
| C25 | C26 | H15 | 108.2° | 109.5° |
| C25 | C26 | H16 | 108.3° | 109.5° |
| C26 | C25 | H17 | 109.0° | 109.5° |
| C26 | C25 | H18 | 109.0° | 109.5° |
| C25 | C24 | C23 | 109.1° | 109.5° |
| C25 | C24 | C29 | 109.6° | 109.5° |
| C24 | C25 | H17 | 109.0° | 109.5° |
| C24 | C25 | H18 | 109.0° | 109.5° |
| C25 | C24 | H19 | 108.4° | 109.5° |
| C45 | N8 | C38 | 111.9° | 111.0° |
| C45 | N8 | C39 | 112.7° | 111.0° |
| N8 | C45 | H72 | 107.8° | 109.5° |
| N8 | C45 | H73 | 107.8° | 109.5° |
| N4 | C23 | C24 | 117.1° | 120.0° |
| C23 | N4 | H37 | 118.6° | 120.0° |
| C23 | C24 | C29 | 112.7° | 109.5° |
| C23 | C24 | H19 | 108.6° | 109.5° |
| C4 | C3 | C2 | 111.9° | 109.5° |
| C4 | C3 | H1 | 108.9° | 109.4° |
| C4 | C3 | H2 | 108.9° | 109.5° |
| C3 | C4 | H22 | 107.3° | 109.5° |
| C3 | C4 | H23 | 107.3° | 109.5° |
| C3 | C2 | N1 | 111.6° | 109.5° |
| C2 | C3 | H1 | 108.9° | 109.5° |
| C2 | C3 | H2 | 108.8° | 109.5° |
| C3 | C2 | H25 | 108.3° | 109.5° |
| C26 | C27 | C30 | 111.3° | 109.5° |
| C26 | C27 | C28 | 112.5° | 109.5° |
| C26 | C27 | H14 | 106.9° | 109.5° |
| C27 | C26 | H15 | 108.3° | 109.5° |
| C27 | C26 | H16 | 108.2° | 109.5° |
| C2 | N1 | C6 | 116.1° | 120.0° |
| N1 | C2 | H25 | 109.4° | 109.5° |
| C2 | N1 | H27 | 121.9° | 120.0° |
| C24 | C29 | C28 | 107.9° | 109.5° |
| C29 | C24 | H19 | 108.4° | 109.5° |
| C24 | C29 | H40 | 109.9° | 109.5° |
| C24 | C29 | H41 | 109.9° | 109.5° |
| N3 | C11 | C10 | 112.2° | 109.4° |
| N3 | C11 | H31 | 108.8° | 109.5° |
| N3 | C11 | H32 | 108.8° | 109.4° |
| C11 | N3 | H33 | 118.8° | 120.0° |
| C38 | N8 | C39 | 110.2° | 111.0° |
| N8 | C38 | C37 | 113.7° | 109.5° |
| N8 | C38 | H58 | 108.4° | 109.4° |
| N8 | C38 | H59 | 108.4° | 109.5° |
| N8 | C39 | C40 | 115.7° | 109.5° |
| N8 | C39 | H61 | 107.9° | 109.5° |
| N8 | C39 | H62 | 107.9° | 109.4° |
| C30 | C27 | C28 | 111.9° | 109.5° |
| C27 | C30 | N5 | 113.5° | 109.5° |
| C30 | C27 | H14 | 107.0° | 109.5° |
| C27 | C30 | H42 | 108.4° | 109.4° |
| C27 | C30 | H43 | 108.5° | 109.4° |
| C27 | C28 | C29 | 111.5° | 109.5° |
| C28 | C27 | H14 | 106.9° | 109.5° |
| C27 | C28 | H38 | 109.0° | 109.5° |
| C27 | C28 | H39 | 109.0° | 109.5° |
| C11 | C10 | C9 | 114.2° | 109.4° |
| C11 | C10 | H7 | 108.2° | 109.5° |
| C11 | C10 | H8 | 108.3° | 109.5° |
| C10 | C11 | H31 | 108.8° | 109.5° |
| C10 | C11 | H32 | 108.8° | 109.5° |
| C29 | C28 | H38 | 108.9° | 109.5° |
| C29 | C28 | H39 | 109.0° | 109.5° |
| C28 | C29 | H40 | 109.9° | 109.5° |
| C28 | C29 | H41 | 109.9° | 109.5° |
| C38 | C37 | N7 | 112.5° | 109.5° |
| C38 | C37 | H56 | 108.7° | 109.4° |
| C38 | C37 | H57 | 108.7° | 109.4° |
| C37 | C38 | H58 | 108.4° | 109.5° |
| C37 | C38 | H59 | 108.4° | 109.5° |
| O5 | C6 | N1 | 120.9° | 120.0° |
| O5 | C6 | N2 | 123.1° | 120.0° |
| C39 | C40 | N9 | 114.7° | 109.5° |
| C40 | C39 | H61 | 107.9° | 109.5° |
| C40 | C39 | H62 | 107.9° | 109.5° |
| C39 | C40 | H63 | 108.2° | 109.4° |
| C39 | C40 | H64 | 108.2° | 109.5° |
| C40 | N9 | C43 | 113.5° | 111.0° |
| C40 | N9 | C41 | 111.7° | 111.0° |
| N9 | C40 | H63 | 108.1° | 109.5° |
| N9 | C40 | H64 | 108.1° | 109.5° |
| N1 | C6 | N2 | 116.1° | 120.0° |
| C6 | N1 | H27 | 122.0° | 120.0° |
| C10 | C9 | C8 | 116.9° | 109.5° |
| C9 | C10 | H7 | 108.3° | 109.5° |
| C9 | C10 | H8 | 108.3° | 109.4° |
| C10 | C9 | H29 | 107.6° | 109.5° |
| C10 | C9 | H30 | 107.6° | 109.5° |
| C44 | C43 | N9 | 117.7° | 109.5° |
| C43 | C44 | O12 | 116.3° | 120.0° |
| C43 | C44 | O11 | 117.9° | 120.0° |
| C44 | C43 | H69 | 107.4° | 109.5° |
| C44 | C43 | H70 | 107.4° | 109.5° |
| C43 | N9 | C41 | 113.8° | 111.1° |
| N9 | C43 | H69 | 107.4° | 109.4° |
| N9 | C43 | H70 | 107.4° | 109.5° |
| C6 | N2 | C7 | 125.8° | 120.0° |
| C6 | N2 | H28 | 117.1° | 120.0° |
| O12 | C44 | O11 | 125.8° | 120.0° |
| C44 | O11 | H71 | 109.5° | 117.0° |
| C30 | N5 | C31 | 123.6° | 120.0° |
| N5 | C30 | H42 | 108.5° | 109.5° |
| N5 | C30 | H43 | 108.5° | 109.5° |
| C30 | N5 | H44 | 118.2° | 120.0° |
| C9 | C8 | C7 | 112.4° | 109.5° |
| C9 | C8 | H3 | 108.8° | 109.4° |
| C9 | C8 | H4 | 108.8° | 109.5° |
| C8 | C9 | H29 | 107.6° | 109.5° |
| C8 | C9 | H30 | 107.6° | 109.5° |
| C8 | C7 | N2 | 111.4° | 109.5° |
| C8 | C7 | C47 | 112.5° | 109.5° |
| C7 | C8 | H3 | 108.7° | 109.4° |
| C7 | C8 | H4 | 108.7° | 109.5° |
| C8 | C7 | H5 | 107.3° | 109.5° |
| N9 | C41 | C42 | 114.2° | 109.5° |
| N9 | C41 | H65 | 108.3° | 109.5° |
| N9 | C41 | H66 | 108.3° | 109.5° |
| O9 | C36 | C35 | 116.1° | 120.0° |
| O9 | C36 | O10 | 125.4° | 120.0° |
| C37 | N7 | C35 | 113.9° | 111.0° |
| C37 | N7 | C34 | 114.0° | 111.0° |
| N7 | C37 | H56 | 108.7° | 109.5° |
| N7 | C37 | H57 | 108.7° | 109.5° |
| C36 | C35 | N7 | 119.5° | 109.5° |
| C35 | C36 | O10 | 118.5° | 120.0° |
| C36 | C35 | H53 | 106.9° | 109.5° |
| C36 | C35 | H54 | 106.9° | 109.5° |
| C35 | N7 | C34 | 114.7° | 111.0° |
| N7 | C35 | H53 | 106.9° | 109.5° |
| N7 | C35 | H54 | 106.9° | 109.4° |
| N2 | C7 | C47 | 109.6° | 109.5° |
| N2 | C7 | H5 | 108.5° | 109.5° |
| C7 | N2 | H28 | 117.1° | 120.0° |
| N5 | C31 | O8 | 122.8° | 120.0° |
| N5 | C31 | C32 | 116.9° | 120.0° |
| C31 | N5 | H44 | 118.2° | 120.0° |
| C36 | O10 | H55 | 109.5° | 117.0° |
| C7 | C47 | O15 | 116.2° | 120.0° |
| C7 | C47 | O16 | 118.5° | 120.0° |
| C47 | C7 | H5 | 107.5° | 109.4° |
| N7 | C34 | C33 | 112.6° | 109.5° |
| N7 | C34 | H50 | 108.7° | 109.5° |
| N7 | C34 | H51 | 108.7° | 109.5° |
| C41 | C42 | N6 | 115.3° | 109.4° |
| C42 | C41 | H65 | 108.3° | 109.4° |
| C42 | C41 | H66 | 108.3° | 109.5° |
| C41 | C42 | H67 | 108.0° | 109.5° |
| C41 | C42 | H68 | 108.0° | 109.4° |
| O8 | C31 | C32 | 120.3° | 120.0° |
| C31 | C32 | N6 | 119.5° | 109.5° |
| C31 | C32 | H45 | 106.9° | 109.5° |
| C31 | C32 | H46 | 106.9° | 109.5° |
| C42 | N6 | C33 | 110.9° | 111.0° |
| C42 | N6 | C32 | 111.0° | 111.0° |
| N6 | C42 | H67 | 108.0° | 109.5° |
| N6 | C42 | H68 | 108.0° | 109.4° |
| C33 | N6 | C32 | 111.6° | 111.0° |
| N6 | C33 | C34 | 114.0° | 109.4° |
| N6 | C33 | H48 | 108.3° | 109.5° |
| N6 | C33 | H49 | 108.3° | 109.5° |
| N6 | C32 | H45 | 106.9° | 109.5° |
| N6 | C32 | H46 | 106.9° | 109.5° |
| O15 | C47 | O16 | 125.3° | 120.0° |
| C47 | O16 | H75 | 109.5° | 117.1° |
| C34 | C33 | H48 | 108.3° | 109.4° |
| C34 | C33 | H49 | 108.4° | 109.5° |
| C33 | C34 | H50 | 108.7° | 109.4° |
| C33 | C34 | H51 | 108.7° | 109.4° |
| H1 | C3 | H2 | 109.5° | 109.5° |
| H3 | C8 | H4 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H15 | C26 | H16 | 109.5° | 109.5° |
| H17 | C25 | H18 | 109.5° | 109.4° |
| H22 | C4 | H23 | 109.5° | 109.5° |
| H29 | C9 | H30 | 109.4° | 109.4° |
| H31 | C11 | H32 | 109.5° | 109.5° |
| H38 | C28 | H39 | 109.5° | 109.4° |
| H40 | C29 | H41 | 109.5° | 109.5° |
| H42 | C30 | H43 | 109.5° | 109.4° |
| H45 | C32 | H46 | 109.4° | 109.5° |
| H48 | C33 | H49 | 109.5° | 109.4° |
| H50 | C34 | H51 | 109.5° | 109.5° |
| H53 | C35 | H54 | 109.5° | 109.5° |
| H56 | C37 | H57 | 109.5° | 109.5° |
| H58 | C38 | H59 | 109.5° | 109.5° |
| H61 | C39 | H62 | 109.5° | 109.5° |
| H63 | C40 | H64 | 109.4° | 109.5° |
| H65 | C41 | H66 | 109.5° | 109.5° |
| H67 | C42 | H68 | 109.5° | 109.5° |
| H69 | C43 | H70 | 109.5° | 109.5° |
| H72 | C45 | H73 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C21 | C22 | H36 | 180.0° | 180.0° |
| C21 | C20 | C19 | H11 | 180.0° | 179.8° |
| C20 | C21 | C22 | C17 | 0.6° | 0.5° |
| C21 | C20 | C19 | C18 | 0.4° | 0.2° |
| C20 | C21 | C22 | H13 | 179.4° | 179.8° |
| C21 | C20 | C19 | H35 | 179.6° | 179.8° |
| C22 | C21 | C20 | C19 | 0.5° | 0.0° |
| C21 | C22 | C17 | H13 | 180.0° | 179.3° |
| C21 | C22 | C17 | C18 | 0.7° | 0.7° |
| C21 | C22 | C17 | C16 | 179.8° | 179.8° |
| C22 | C21 | C20 | H11 | 179.5° | 179.7° |
| C20 | C19 | C18 | H35 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.5° | 0.0° |
| C20 | C19 | C18 | H12 | 179.5° | 180.0° |
| C19 | C20 | C21 | H36 | 179.5° | 180.0° |
| C22 | C17 | C18 | C19 | 0.6° | 0.5° |
| C22 | C17 | C18 | C16 | 179.1° | 179.5° |
| C22 | C17 | C16 | C15 | 28.5° | 0.5° |
| C22 | C17 | C18 | H12 | 179.4° | 179.5° |
| C22 | C17 | C16 | H20 | 151.5° | 179.5° |
| C17 | C22 | C21 | H36 | 179.4° | 179.5° |
| C19 | C18 | C17 | H12 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 179.7° | 180.0° |
| C18 | C19 | C20 | H11 | 179.5° | 180.0° |
| C18 | C17 | C16 | C15 | 152.4° | 180.0° |
| C18 | C17 | C22 | H13 | 179.3° | 180.0° |
| C18 | C17 | C16 | H20 | 27.6° | 0.0° |
| C17 | C18 | C19 | H35 | 179.5° | 180.0° |
| C17 | C16 | C15 | H20 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 169.9° | 180.0° |
| C16 | C17 | C18 | H12 | 0.3° | 0.0° |
| C16 | C17 | C22 | H13 | 0.2° | 0.5° |
| C17 | C16 | C15 | H34 | 10.1° | 0.0° |
| O2 | C1 | O1 | C2 | 177.5° | 179.9° |
| O2 | C1 | C2 | C3 | 81.9° | 120.0° |
| O2 | C1 | C2 | N1 | 155.3° | 0.1° |
| O2 | C1 | O1 | H24 | 0.0° | 0.0° |
| O2 | C1 | C2 | H25 | 35.3° | 120.0° |
| C16 | C15 | C14 | H34 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 128.6° | 125.0° |
| C16 | C15 | C14 | H9 | 111.2° | 5.0° |
| C16 | C15 | C14 | H10 | 8.4° | 115.0° |
| C15 | C14 | C13 | H9 | 120.2° | 120.0° |
| C15 | C14 | C13 | H10 | 120.2° | 120.0° |
| C15 | C14 | C13 | C12 | 167.5° | 175.0° |
| C15 | C14 | C13 | N4 | 68.0° | 65.0° |
| C15 | C14 | H9 | H10 | 119.5° | 120.0° |
| C14 | C15 | C16 | H20 | 10.1° | 0.0° |
| C15 | C14 | C13 | H21 | 50.5° | 55.0° |
| O13 | C46 | C45 | O14 | 178.8° | 180.0° |
| O13 | C46 | C45 | N8 | 171.3° | 0.1° |
| O13 | C46 | C45 | H72 | 67.7° | 120.0° |
| O13 | C46 | C45 | H73 | 50.4° | 119.9° |
| O13 | C46 | O14 | H74 | 0.0° | 0.0° |
| O4 | C5 | O3 | C4 | 178.7° | 180.0° |
| O4 | C5 | C4 | C3 | 16.2° | 0.0° |
| O4 | C5 | C4 | H22 | 105.0° | 120.1° |
| O4 | C5 | C4 | H23 | 137.4° | 120.0° |
| O4 | C5 | O3 | H26 | 0.0° | 0.0° |
| O6 | C12 | C13 | C14 | 61.3° | 120.0° |
| O6 | C12 | C13 | N3 | 178.6° | 180.0° |
| O6 | C12 | C13 | N4 | 173.3° | 0.0° |
| O6 | C12 | N3 | C11 | 10.7° | 0.0° |
| O6 | C12 | C13 | H21 | 55.5° | 120.0° |
| O6 | C12 | N3 | H33 | 169.3° | 180.0° |
| C14 | C13 | C12 | N4 | 125.5° | 120.0° |
| C14 | C13 | C12 | H21 | 116.8° | 120.0° |
| C14 | C13 | N4 | H21 | 118.0° | 120.0° |
| C14 | C13 | C12 | N3 | 120.1° | 60.0° |
| C14 | C13 | N4 | C23 | 133.2° | 85.0° |
| C13 | C14 | H9 | H10 | 119.5° | 120.0° |
| C13 | C14 | C15 | H34 | 51.4° | 55.0° |
| C14 | C13 | N4 | H37 | 46.8° | 95.0° |
| O7 | C23 | N4 | C13 | 19.4° | 0.0° |
| O7 | C23 | C24 | C25 | 70.9° | 0.0° |
| O7 | C23 | N4 | C24 | 178.4° | 180.0° |
| O7 | C23 | C24 | C29 | 51.1° | 120.0° |
| O7 | C23 | C24 | H19 | 171.1° | 120.0° |
| O7 | C23 | N4 | H37 | 160.6° | 180.0° |
| C12 | C13 | N4 | H21 | 117.2° | 120.0° |
| C12 | C13 | N4 | C23 | 102.0° | 155.0° |
| C13 | C12 | N3 | C11 | 167.9° | 180.0° |
| C12 | C13 | C14 | H9 | 47.3° | 65.0° |
| C12 | C13 | C14 | H10 | 72.4° | 55.0° |
| C13 | C12 | N3 | H33 | 12.1° | 0.0° |
| C12 | C13 | N4 | H37 | 78.0° | 25.0° |
| N4 | C13 | C12 | N3 | 5.4° | 180.0° |
| C13 | N4 | C23 | H37 | 180.0° | 180.0° |
| C13 | N4 | C23 | C24 | 159.0° | 180.0° |
| N4 | C13 | C14 | H9 | 171.8° | 55.0° |
| N4 | C13 | C14 | H10 | 52.1° | 175.0° |
| O1 | C1 | C2 | C3 | 95.8° | 60.0° |
| O1 | C1 | C2 | N1 | 27.0° | 180.0° |
| O1 | C1 | C2 | H25 | 147.0° | 60.0° |
| C1 | C2 | C3 | C4 | 69.8° | 175.0° |
| C1 | C2 | C3 | N1 | 122.3° | 119.9° |
| C1 | C2 | C3 | H25 | 117.2° | 120.0° |
| C1 | C2 | N1 | H25 | 119.3° | 120.1° |
| C1 | C2 | N1 | C6 | 49.4° | 85.1° |
| C1 | C2 | C3 | H1 | 169.8° | 55.0° |
| C1 | C2 | C3 | H2 | 50.6° | 65.0° |
| C2 | C1 | O1 | H24 | 177.5° | 179.9° |
| C1 | C2 | N1 | H27 | 130.5° | 95.0° |
| O3 | C5 | C4 | C3 | 165.0° | 180.0° |
| O3 | C5 | C4 | H22 | 73.8° | 60.0° |
| O3 | C5 | C4 | H23 | 43.7° | 60.0° |
| C5 | C4 | C3 | H22 | 121.2° | 120.0° |
| C5 | C4 | C3 | H23 | 121.2° | 120.0° |
| C5 | C4 | C3 | C2 | 167.6° | 180.0° |
| C5 | C4 | C3 | H1 | 72.0° | 60.0° |
| C5 | C4 | C3 | H2 | 47.3° | 60.0° |
| C5 | C4 | H22 | H23 | 116.2° | 119.9° |
| C4 | C5 | O3 | H26 | 178.7° | 180.0° |
| C46 | C45 | N8 | H72 | 121.0° | 120.0° |
| C46 | C45 | N8 | H73 | 120.9° | 120.0° |
| C46 | C45 | N8 | C38 | 77.2° | 68.5° |
| C46 | C45 | N8 | C39 | 158.0° | 167.6° |
| C46 | C45 | H72 | H73 | 117.0° | 120.0° |
| C45 | C46 | O14 | H74 | 178.6° | 180.0° |
| O14 | C46 | C45 | N8 | 9.9° | 180.0° |
| O14 | C46 | C45 | H72 | 111.0° | 60.0° |
| O14 | C46 | C45 | H73 | 130.9° | 60.0° |
| C12 | N3 | C11 | H33 | 180.0° | 180.0° |
| C12 | N3 | C11 | C10 | 82.4° | 180.0° |
| N3 | C12 | C13 | H21 | 123.1° | 60.0° |
| C12 | N3 | C11 | H31 | 157.2° | 60.0° |
| C12 | N3 | C11 | H32 | 38.0° | 60.0° |
| C26 | C25 | C24 | H17 | 120.3° | 120.0° |
| C26 | C25 | C24 | H18 | 120.3° | 120.0° |
| C26 | C25 | C24 | C23 | 179.1° | 180.0° |
| C25 | C26 | C27 | H15 | 120.7° | 120.0° |
| C25 | C26 | C27 | H16 | 120.7° | 120.0° |
| C26 | C25 | C24 | C29 | 57.1° | 60.0° |
| C25 | C26 | C27 | C30 | 172.1° | 180.0° |
| C25 | C26 | C27 | C28 | 45.6° | 60.0° |
| C25 | C26 | C27 | H14 | 71.4° | 60.0° |
| C25 | C26 | H15 | H16 | 117.8° | 120.0° |
| C26 | C25 | H17 | H18 | 119.1° | 120.0° |
| C26 | C25 | C24 | H19 | 61.0° | 60.0° |
| C25 | C24 | C23 | N4 | 107.6° | 180.0° |
| C25 | C24 | C23 | C29 | 122.0° | 120.0° |
| C25 | C24 | C23 | H19 | 118.0° | 120.0° |
| C24 | C25 | C26 | C27 | 48.2° | 60.0° |
| C25 | C24 | C29 | H19 | 118.1° | 120.0° |
| C25 | C24 | C29 | C28 | 63.5° | 60.0° |
| C24 | C25 | C26 | H15 | 72.6° | 180.0° |
| C24 | C25 | C26 | H16 | 168.9° | 60.0° |
| C24 | C25 | H17 | H18 | 119.1° | 120.0° |
| C25 | C24 | C29 | H40 | 56.2° | 60.0° |
| C25 | C24 | C29 | H41 | 176.7° | 180.0° |
| C45 | N8 | C38 | C39 | 126.2° | 123.9° |
| C45 | N8 | C38 | C37 | 148.5° | 2.8° |
| C45 | N8 | C39 | C40 | 66.4° | 6.4° |
| C45 | N8 | C38 | H58 | 90.9° | 117.2° |
| C45 | N8 | C38 | H59 | 27.9° | 122.8° |
| C45 | N8 | C39 | H61 | 54.5° | 113.6° |
| C45 | N8 | C39 | H62 | 172.7° | 126.4° |
| N8 | C45 | H72 | H73 | 117.1° | 120.0° |
| N4 | C23 | C24 | C29 | 130.5° | 60.0° |
| N4 | C23 | C24 | H19 | 10.4° | 60.0° |
| C23 | N4 | C13 | H21 | 15.2° | 35.0° |
| C23 | C24 | C29 | H19 | 120.2° | 120.0° |
| C23 | C24 | C29 | C28 | 174.8° | 180.0° |
| C23 | C24 | C25 | H17 | 60.6° | 60.0° |
| C23 | C24 | C25 | H18 | 58.8° | 60.0° |
| C24 | C23 | N4 | H37 | 21.0° | 0.0° |
| C23 | C24 | C29 | H40 | 65.5° | 60.0° |
| C23 | C24 | C29 | H41 | 55.0° | 60.0° |
| C4 | C3 | C2 | H1 | 120.4° | 120.0° |
| C4 | C3 | C2 | H2 | 120.4° | 120.0° |
| C4 | C3 | C2 | N1 | 52.5° | 65.1° |
| C4 | C3 | H1 | H2 | 118.9° | 120.0° |
| C3 | C4 | H22 | H23 | 116.2° | 120.0° |
| C4 | C3 | C2 | H25 | 173.0° | 55.0° |
| C3 | C2 | N1 | H25 | 119.8° | 120.0° |
| C3 | C2 | N1 | C6 | 170.3° | 155.0° |
| C2 | C3 | H1 | H2 | 118.9° | 120.0° |
| C2 | C3 | C4 | H22 | 46.5° | 60.0° |
| C2 | C3 | C4 | H23 | 71.1° | 60.1° |
| C3 | C2 | N1 | H27 | 9.6° | 24.9° |
| C26 | C27 | C30 | C28 | 126.8° | 120.0° |
| C26 | C27 | C30 | H14 | 116.4° | 120.0° |
| C26 | C27 | C28 | H14 | 117.1° | 120.0° |
| C26 | C27 | C28 | C29 | 52.5° | 60.0° |
| C26 | C27 | C30 | N5 | 61.4° | 65.0° |
| C27 | C26 | H15 | H16 | 117.8° | 120.0° |
| C27 | C26 | C25 | H17 | 72.1° | 60.0° |
| C27 | C26 | C25 | H18 | 168.4° | 180.0° |
| C26 | C27 | C28 | H38 | 67.8° | 60.0° |
| C26 | C27 | C28 | H39 | 172.8° | 180.0° |
| C26 | C27 | C30 | H42 | 59.2° | 175.0° |
| C26 | C27 | C30 | H43 | 178.0° | 55.0° |
| C2 | N1 | C6 | O5 | 18.9° | 0.1° |
| C2 | N1 | C6 | H27 | 180.0° | 179.9° |
| C2 | N1 | C6 | N2 | 159.5° | 180.0° |
| N1 | C2 | C3 | H1 | 67.9° | 175.0° |
| N1 | C2 | C3 | H2 | 172.9° | 55.0° |
| C24 | C29 | C28 | C27 | 61.4° | 60.0° |
| C24 | C29 | C28 | H40 | 119.7° | 120.0° |
| C24 | C29 | C28 | H41 | 119.8° | 120.0° |
| C29 | C24 | C25 | H17 | 63.2° | 60.0° |
| C29 | C24 | C25 | H18 | 177.3° | 180.0° |
| C24 | C29 | C28 | H38 | 58.9° | 60.0° |
| C24 | C29 | C28 | H39 | 178.3° | 180.0° |
| C24 | C29 | H40 | H41 | 120.7° | 120.0° |
| N3 | C11 | C10 | H31 | 120.4° | 120.0° |
| N3 | C11 | C10 | H32 | 120.4° | 119.9° |
| N3 | C11 | C10 | C9 | 157.3° | 180.0° |
| N3 | C11 | C10 | H7 | 82.0° | 60.0° |
| N3 | C11 | C10 | H8 | 36.6° | 60.1° |
| N3 | C11 | H31 | H32 | 118.7° | 120.0° |
| N8 | C38 | C37 | H58 | 120.6° | 120.0° |
| N8 | C38 | C37 | H59 | 120.6° | 120.0° |
| C38 | N8 | C39 | C40 | 167.9° | 130.4° |
| N8 | C38 | C37 | N7 | 49.8° | 120.9° |
| N8 | C38 | C37 | H56 | 70.7° | 119.1° |
| N8 | C38 | C37 | H57 | 170.3° | 0.9° |
| N8 | C38 | H58 | H59 | 118.1° | 120.0° |
| C38 | N8 | C39 | H61 | 71.3° | 10.4° |
| C38 | N8 | C39 | H62 | 47.0° | 109.6° |
| C38 | N8 | C45 | H72 | 161.9° | 51.5° |
| C38 | N8 | C45 | H73 | 43.8° | 171.5° |
| C39 | N8 | C38 | C37 | 85.3° | 126.8° |
| N8 | C39 | C40 | H61 | 120.9° | 120.0° |
| N8 | C39 | C40 | H62 | 120.9° | 120.0° |
| N8 | C39 | C40 | N9 | 47.1° | 125.3° |
| C39 | N8 | C38 | H58 | 35.3° | 6.8° |
| C39 | N8 | C38 | H59 | 154.1° | 113.2° |
| N8 | C39 | H61 | H62 | 117.2° | 120.0° |
| N8 | C39 | C40 | H63 | 73.7° | 5.3° |
| N8 | C39 | C40 | H64 | 167.9° | 114.7° |
| C39 | N8 | C45 | H72 | 37.0° | 72.4° |
| C39 | N8 | C45 | H73 | 81.1° | 47.6° |
| C30 | C27 | C28 | H14 | 116.8° | 120.0° |
| C30 | C27 | C28 | C29 | 178.7° | 180.0° |
| C27 | C30 | N5 | H42 | 120.6° | 120.0° |
| C27 | C30 | N5 | H43 | 120.6° | 120.0° |
| C27 | C30 | N5 | C31 | 108.5° | 180.0° |
| C30 | C27 | C26 | H15 | 51.4° | 60.0° |
| C30 | C27 | C26 | H16 | 67.2° | 60.0° |
| C30 | C27 | C28 | H38 | 58.4° | 60.0° |
| C30 | C27 | C28 | H39 | 61.0° | 60.0° |
| C27 | C30 | H42 | H43 | 118.2° | 119.9° |
| C27 | C30 | N5 | H44 | 71.5° | 0.1° |
| C27 | C28 | C29 | H38 | 120.3° | 120.0° |
| C27 | C28 | C29 | H39 | 120.3° | 120.0° |
| C28 | C27 | C30 | N5 | 65.4° | 175.0° |
| C28 | C27 | C26 | H15 | 75.1° | 180.0° |
| C28 | C27 | C26 | H16 | 166.3° | 60.0° |
| C27 | C28 | H38 | H39 | 119.1° | 120.0° |
| C27 | C28 | C29 | H40 | 58.3° | 60.0° |
| C27 | C28 | C29 | H41 | 178.9° | 180.0° |
| C28 | C27 | C30 | H42 | 174.0° | 55.0° |
| C28 | C27 | C30 | H43 | 55.2° | 65.0° |
| C11 | C10 | C9 | H7 | 120.6° | 120.0° |
| C11 | C10 | C9 | H8 | 120.7° | 120.0° |
| C11 | C10 | C9 | C8 | 54.3° | 180.0° |
| C11 | C10 | H7 | H8 | 117.8° | 120.0° |
| C11 | C10 | C9 | H29 | 175.4° | 60.0° |
| C11 | C10 | C9 | H30 | 66.8° | 60.0° |
| C10 | C11 | H31 | H32 | 118.7° | 120.1° |
| C10 | C11 | N3 | H33 | 97.6° | 0.0° |
| C29 | C28 | C27 | H14 | 64.6° | 60.0° |
| C28 | C29 | C24 | H19 | 54.5° | 60.0° |
| C29 | C28 | H38 | H39 | 119.1° | 120.0° |
| C28 | C29 | H40 | H41 | 120.7° | 120.0° |
| C38 | C37 | N7 | H56 | 120.5° | 120.0° |
| C38 | C37 | N7 | H57 | 120.4° | 120.0° |
| C38 | C37 | N7 | C35 | 74.5° | 107.3° |
| C38 | C37 | N7 | C34 | 151.3° | 128.8° |
| C38 | C37 | H56 | H57 | 118.6° | 120.0° |
| C37 | C38 | H58 | H59 | 118.1° | 120.0° |
| O5 | C6 | N1 | N2 | 178.4° | 180.0° |
| O5 | C6 | N2 | C7 | 0.5° | 0.0° |
| O5 | C6 | N1 | H27 | 161.1° | 179.9° |
| O5 | C6 | N2 | H28 | 179.5° | 180.0° |
| C39 | C40 | N9 | H63 | 120.8° | 120.0° |
| C39 | C40 | N9 | H64 | 120.8° | 120.0° |
| C39 | C40 | N9 | C43 | 145.5° | 111.7° |
| C39 | C40 | N9 | C41 | 84.1° | 124.2° |
| C40 | C39 | H61 | H62 | 117.2° | 120.0° |
| C39 | C40 | H63 | H64 | 117.6° | 120.0° |
| C40 | N9 | C43 | C44 | 69.4° | 66.0° |
| C40 | N9 | C43 | C41 | 129.2° | 124.0° |
| C40 | N9 | C41 | C42 | 153.7° | 125.4° |
| N9 | C40 | C39 | H61 | 168.0° | 5.3° |
| N9 | C40 | C39 | H62 | 73.8° | 114.7° |
| N9 | C40 | H63 | H64 | 117.6° | 120.0° |
| C40 | N9 | C41 | H65 | 85.6° | 114.7° |
| C40 | N9 | C41 | H66 | 33.0° | 5.3° |
| C40 | N9 | C43 | H69 | 51.8° | 54.0° |
| C40 | N9 | C43 | H70 | 169.5° | 173.9° |
| N1 | C6 | N2 | C7 | 177.8° | 180.0° |
| C6 | N1 | C2 | H25 | 69.9° | 35.0° |
| N1 | C6 | N2 | H28 | 2.2° | 0.0° |
| C10 | C9 | C8 | H29 | 121.1° | 120.0° |
| C10 | C9 | C8 | H30 | 121.1° | 120.0° |
| C10 | C9 | C8 | C7 | 178.5° | 180.0° |
| C10 | C9 | C8 | H3 | 61.1° | 60.0° |
| C10 | C9 | C8 | H4 | 58.0° | 60.0° |
| C9 | C10 | H7 | H8 | 117.9° | 120.0° |
| C10 | C9 | H29 | H30 | 116.7° | 120.0° |
| C9 | C10 | C11 | H31 | 36.9° | 60.0° |
| C9 | C10 | C11 | H32 | 82.3° | 60.1° |
| C44 | C43 | N9 | H69 | 121.2° | 120.0° |
| C44 | C43 | N9 | H70 | 121.2° | 120.0° |
| C43 | C44 | O12 | O11 | 179.8° | 179.9° |
| C44 | C43 | N9 | C41 | 59.9° | 170.0° |
| C44 | C43 | H69 | H70 | 116.3° | 120.0° |
| C43 | C44 | O11 | H71 | 179.7° | 180.0° |
| N9 | C43 | C44 | O12 | 161.8° | 0.0° |
| N9 | C43 | C44 | O11 | 18.4° | 180.0° |
| C43 | N9 | C41 | C42 | 76.1° | 110.6° |
| C43 | N9 | C40 | H63 | 24.7° | 128.3° |
| C43 | N9 | C40 | H64 | 93.7° | 8.3° |
| C43 | N9 | C41 | H65 | 44.6° | 9.3° |
| C43 | N9 | C41 | H66 | 163.2° | 129.3° |
| N9 | C43 | H69 | H70 | 116.3° | 120.0° |
| C6 | N2 | C7 | C8 | 84.4° | 155.0° |
| C6 | N2 | C7 | H28 | 180.0° | 180.0° |
| C6 | N2 | C7 | C47 | 150.5° | 85.0° |
| C6 | N2 | C7 | H5 | 33.5° | 35.0° |
| N2 | C6 | N1 | H27 | 20.5° | 0.1° |
| O12 | C44 | C43 | H69 | 77.0° | 119.9° |
| O12 | C44 | C43 | H70 | 40.6° | 120.0° |
| O12 | C44 | O11 | H71 | 0.0° | 0.1° |
| O11 | C44 | C43 | H69 | 102.7° | 60.0° |
| O11 | C44 | C43 | H70 | 139.6° | 60.0° |
| C30 | N5 | C31 | H44 | 180.0° | 179.9° |
| C30 | N5 | C31 | O8 | 10.1° | 0.0° |
| C30 | N5 | C31 | C32 | 170.8° | 180.0° |
| N5 | C30 | C27 | H14 | 177.9° | 55.0° |
| N5 | C30 | H42 | H43 | 118.2° | 120.1° |
| C9 | C8 | C7 | H3 | 120.4° | 119.9° |
| C9 | C8 | C7 | H4 | 120.5° | 120.0° |
| C9 | C8 | C7 | N2 | 167.8° | 65.0° |
| C9 | C8 | C7 | C47 | 44.3° | 175.0° |
| C9 | C8 | H3 | H4 | 118.7° | 120.0° |
| C9 | C8 | C7 | H5 | 73.7° | 55.0° |
| C8 | C9 | C10 | H7 | 66.4° | 60.0° |
| C8 | C9 | C10 | H8 | 175.0° | 60.0° |
| C8 | C9 | H29 | H30 | 116.6° | 120.0° |
| C8 | C7 | N2 | C47 | 125.1° | 120.0° |
| C8 | C7 | N2 | H5 | 117.9° | 120.0° |
| C8 | C7 | C47 | H5 | 117.8° | 120.0° |
| C8 | C7 | C47 | O15 | 79.5° | 120.0° |
| C8 | C7 | C47 | O16 | 100.5° | 59.9° |
| C7 | C8 | H3 | H4 | 118.7° | 120.0° |
| C8 | C7 | N2 | H28 | 95.6° | 25.0° |
| C7 | C8 | C9 | H29 | 57.4° | 60.0° |
| C7 | C8 | C9 | H30 | 60.4° | 60.0° |
| N9 | C41 | C42 | H65 | 120.7° | 120.0° |
| N9 | C41 | C42 | H66 | 120.7° | 120.1° |
| N9 | C41 | C42 | N6 | 62.9° | 128.0° |
| C41 | N9 | C40 | H63 | 155.0° | 4.3° |
| C41 | N9 | C40 | H64 | 36.7° | 115.7° |
| N9 | C41 | H65 | H66 | 117.8° | 120.0° |
| N9 | C41 | C42 | H67 | 57.9° | 111.9° |
| N9 | C41 | C42 | H68 | 176.2° | 8.1° |
| C41 | N9 | C43 | H69 | 178.9° | 70.0° |
| C41 | N9 | C43 | H70 | 61.3° | 50.0° |
| O9 | C36 | C35 | O10 | 180.0° | 179.9° |
| O9 | C36 | C35 | N7 | 173.2° | 0.0° |
| O9 | C36 | C35 | H53 | 51.8° | 120.0° |
| O9 | C36 | C35 | H54 | 65.4° | 119.9° |
| O9 | C36 | O10 | H55 | 0.0° | 0.0° |
| C37 | N7 | C35 | C36 | 68.8° | 66.1° |
| C37 | N7 | C35 | C34 | 134.0° | 124.0° |
| C37 | N7 | C34 | C33 | 88.3° | 131.2° |
| C37 | N7 | C34 | H50 | 32.2° | 108.9° |
| C37 | N7 | C34 | H51 | 151.2° | 11.2° |
| C37 | N7 | C35 | H53 | 169.8° | 173.9° |
| C37 | N7 | C35 | H54 | 52.6° | 53.9° |
| N7 | C37 | H56 | H57 | 118.6° | 120.1° |
| N7 | C37 | C38 | H58 | 170.4° | 0.9° |
| N7 | C37 | C38 | H59 | 70.8° | 119.1° |
| C36 | C35 | N7 | H53 | 121.4° | 120.0° |
| C36 | C35 | N7 | H54 | 121.4° | 120.0° |
| C36 | C35 | N7 | C34 | 65.2° | 170.0° |
| C36 | C35 | H53 | H54 | 115.4° | 120.1° |
| C35 | C36 | O10 | H55 | 180.0° | 179.9° |
| N7 | C35 | C36 | O10 | 6.8° | 180.0° |
| C35 | N7 | C34 | C33 | 137.7° | 104.8° |
| C35 | N7 | C34 | H50 | 101.8° | 15.1° |
| C35 | N7 | C34 | H51 | 17.3° | 135.2° |
| N7 | C35 | H53 | H54 | 115.5° | 119.9° |
| C35 | N7 | C37 | H56 | 165.1° | 12.7° |
| C35 | N7 | C37 | H57 | 46.0° | 132.8° |
| N2 | C7 | C47 | H5 | 117.6° | 120.0° |
| N2 | C7 | C47 | O15 | 45.0° | 0.0° |
| N2 | C7 | C47 | O16 | 135.0° | 180.0° |
| N2 | C7 | C8 | H3 | 47.3° | 54.9° |
| N2 | C7 | C8 | H4 | 71.8° | 175.0° |
| N5 | C31 | O8 | C32 | 179.0° | 180.0° |
| N5 | C31 | C32 | N6 | 17.6° | 180.0° |
| C31 | N5 | C30 | H42 | 130.9° | 60.0° |
| C31 | N5 | C30 | H43 | 12.1° | 60.0° |
| N5 | C31 | C32 | H45 | 103.8° | 60.0° |
| N5 | C31 | C32 | H46 | 139.0° | 60.0° |
| O10 | C36 | C35 | H53 | 128.3° | 60.0° |
| O10 | C36 | C35 | H54 | 114.6° | 60.0° |
| C7 | C47 | O15 | O16 | 180.0° | 180.0° |
| C47 | C7 | C8 | H3 | 76.1° | 65.1° |
| C47 | C7 | C8 | H4 | 164.7° | 54.9° |
| C47 | C7 | N2 | H28 | 29.5° | 95.0° |
| C7 | C47 | O16 | H75 | 180.0° | 180.0° |
| N7 | C34 | C33 | N6 | 58.5° | 121.9° |
| N7 | C34 | C33 | H50 | 120.5° | 120.0° |
| N7 | C34 | C33 | H51 | 120.5° | 120.0° |
| N7 | C34 | C33 | H48 | 179.2° | 1.8° |
| N7 | C34 | C33 | H49 | 62.1° | 118.1° |
| N7 | C34 | H50 | H51 | 118.6° | 120.1° |
| C34 | N7 | C35 | H53 | 56.3° | 50.0° |
| C34 | N7 | C35 | H54 | 173.4° | 70.0° |
| C34 | N7 | C37 | H56 | 30.8° | 111.3° |
| C34 | N7 | C37 | H57 | 88.3° | 8.8° |
| C41 | C42 | N6 | H67 | 120.9° | 120.1° |
| C41 | C42 | N6 | H68 | 120.8° | 119.9° |
| C41 | C42 | N6 | C33 | 71.1° | 130.0° |
| C41 | C42 | N6 | C32 | 164.2° | 6.0° |
| C42 | C41 | H65 | H66 | 117.8° | 120.0° |
| C41 | C42 | H67 | H68 | 117.3° | 120.0° |
| O8 | C31 | C32 | N6 | 161.5° | 0.0° |
| O8 | C31 | N5 | H44 | 169.8° | 179.9° |
| O8 | C31 | C32 | H45 | 77.1° | 120.0° |
| O8 | C31 | C32 | H46 | 40.1° | 120.0° |
| C31 | C32 | N6 | C42 | 94.4° | 71.6° |
| C31 | C32 | N6 | C33 | 141.3° | 164.4° |
| C31 | C32 | N6 | H45 | 121.4° | 120.0° |
| C31 | C32 | N6 | H46 | 121.4° | 120.0° |
| C32 | C31 | N5 | H44 | 9.2° | 0.0° |
| C31 | C32 | H45 | H46 | 115.5° | 120.0° |
| C42 | N6 | C33 | C32 | 124.3° | 124.0° |
| C42 | N6 | C33 | C34 | 164.5° | 123.5° |
| C42 | N6 | C32 | H45 | 144.2° | 168.4° |
| C42 | N6 | C32 | H46 | 27.0° | 48.4° |
| C42 | N6 | C33 | H48 | 74.9° | 3.5° |
| C42 | N6 | C33 | H49 | 43.8° | 116.5° |
| N6 | C42 | C41 | H65 | 176.4° | 112.0° |
| N6 | C42 | C41 | H66 | 57.8° | 8.0° |
| N6 | C42 | H67 | H68 | 117.3° | 120.0° |
| N6 | C33 | C34 | H48 | 120.7° | 120.0° |
| N6 | C33 | C34 | H49 | 120.6° | 120.0° |
| C33 | N6 | C32 | H45 | 19.9° | 44.5° |
| C33 | N6 | C32 | H46 | 97.3° | 75.6° |
| N6 | C33 | H48 | H49 | 117.9° | 120.1° |
| N6 | C33 | C34 | H50 | 179.0° | 118.2° |
| N6 | C33 | C34 | H51 | 61.9° | 1.8° |
| C33 | N6 | C42 | H67 | 168.0° | 109.9° |
| C33 | N6 | C42 | H68 | 49.8° | 10.1° |
| C32 | N6 | C33 | C34 | 71.2° | 0.5° |
| N6 | C32 | H45 | H46 | 115.4° | 120.0° |
| C32 | N6 | C33 | H48 | 49.4° | 120.5° |
| C32 | N6 | C33 | H49 | 168.1° | 119.5° |
| C32 | N6 | C42 | H67 | 43.4° | 126.1° |
| C32 | N6 | C42 | H68 | 74.9° | 113.9° |
| O15 | C47 | C7 | H5 | 162.6° | 120.0° |
| O15 | C47 | O16 | H75 | 0.0° | 0.0° |
| O16 | C47 | C7 | H5 | 17.4° | 60.0° |
| C34 | C33 | H48 | H49 | 118.0° | 120.0° |
| C33 | C34 | H50 | H51 | 118.6° | 119.9° |
| H1 | C3 | C4 | H22 | 166.8° | 60.0° |
| H1 | C3 | C4 | H23 | 49.2° | 180.0° |
| H1 | C3 | C2 | H25 | 52.6° | 65.0° |
| H2 | C3 | C4 | H22 | 73.9° | 180.0° |
| H2 | C3 | C4 | H23 | 168.5° | 60.0° |
| H2 | C3 | C2 | H25 | 66.6° | 175.0° |
| H3 | C8 | C7 | H5 | 165.9° | 175.0° |
| H3 | C8 | C9 | H29 | 177.8° | 179.9° |
| H3 | C8 | C9 | H30 | 60.0° | 60.0° |
| H4 | C8 | C7 | H5 | 46.8° | 65.0° |
| H4 | C8 | C9 | H29 | 63.0° | 60.0° |
| H4 | C8 | C9 | H30 | 179.1° | 180.0° |
| H5 | C7 | N2 | H28 | 146.5° | 145.0° |
| H7 | C10 | C9 | H29 | 54.7° | 179.9° |
| H7 | C10 | C9 | H30 | 172.6° | 60.0° |
| H7 | C10 | C11 | H31 | 157.6° | 180.0° |
| H7 | C10 | C11 | H32 | 38.4° | 59.9° |
| H8 | C10 | C9 | H29 | 64.0° | 60.0° |
| H8 | C10 | C9 | H30 | 53.9° | 180.0° |
| H8 | C10 | C11 | H31 | 83.8° | 60.0° |
| H8 | C10 | C11 | H32 | 157.0° | 180.0° |
| H9 | C14 | C13 | H21 | 69.6° | 175.0° |
| H9 | C14 | C15 | H34 | 68.8° | 175.0° |
| H10 | C14 | C13 | H21 | 170.7° | 65.1° |
| H10 | C14 | C15 | H34 | 171.6° | 65.0° |
| H11 | C20 | C19 | H35 | 0.4° | 0.0° |
| H11 | C20 | C21 | H36 | 0.5° | 0.3° |
| H12 | C18 | C19 | H35 | 0.5° | 0.0° |
| H13 | C22 | C21 | H36 | 0.6° | 0.2° |
| H14 | C27 | C26 | H15 | 167.9° | 60.0° |
| H14 | C27 | C26 | H16 | 49.3° | 180.0° |
| H14 | C27 | C28 | H38 | 175.2° | NaN° |
| H14 | C27 | C28 | H39 | 55.8° | 60.0° |
| H14 | C27 | C30 | H42 | 57.3° | 65.0° |
| H14 | C27 | C30 | H43 | 61.6° | 175.0° |
| H15 | C26 | C25 | H17 | 167.1° | 60.0° |
| H15 | C26 | C25 | H18 | 47.7° | 60.0° |
| H16 | C26 | C25 | H17 | 48.6° | 180.0° |
| H16 | C26 | C25 | H18 | 70.9° | 60.0° |
| H17 | C25 | C24 | H19 | 178.7° | 180.0° |
| H18 | C25 | C24 | H19 | 59.3° | 60.0° |
| H19 | C24 | C29 | H40 | 174.3° | NaN° |
| H19 | C24 | C29 | H41 | 65.2° | 60.0° |
| H20 | C16 | C15 | H34 | 169.9° | 180.0° |
| H21 | C13 | N4 | H37 | 164.8° | 145.0° |
| H25 | C2 | N1 | H27 | 110.1° | 144.9° |
| H31 | C11 | N3 | H33 | 22.8° | 120.0° |
| H32 | C11 | N3 | H33 | 142.0° | 120.0° |
| H38 | C28 | C29 | H40 | 178.7° | 180.0° |
| H38 | C28 | C29 | H41 | 60.8° | 60.0° |
| H39 | C28 | C29 | H40 | 62.0° | 60.0° |
| H39 | C28 | C29 | H41 | 58.6° | 60.0° |
| H42 | C30 | N5 | H44 | 49.1° | 120.0° |
| H43 | C30 | N5 | H44 | 167.9° | 120.0° |
| H48 | C33 | C34 | H50 | 60.4° | 121.8° |
| H48 | C33 | C34 | H51 | 58.7° | 118.2° |
| H49 | C33 | C34 | H50 | 58.3° | 1.9° |
| H49 | C33 | C34 | H51 | 177.4° | 121.9° |
| H56 | C37 | C38 | H58 | 50.0° | 120.9° |
| H56 | C37 | C38 | H59 | 168.8° | 0.9° |
| H57 | C37 | C38 | H58 | 69.1° | 119.1° |
| H57 | C37 | C38 | H59 | 49.7° | 120.9° |
| H61 | C39 | C40 | H63 | 47.2° | 114.7° |
| H61 | C39 | C40 | H64 | 71.2° | 125.3° |
| H62 | C39 | C40 | H63 | 165.4° | 125.3° |
| H62 | C39 | C40 | H64 | 47.0° | 5.3° |
| H65 | C41 | C42 | H67 | 62.8° | 8.1° |
| H65 | C41 | C42 | H68 | 55.5° | 128.1° |
| H66 | C41 | C42 | H67 | 178.6° | 128.1° |
| H66 | C41 | C42 | H68 | 63.1° | 111.9° |
