EL7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C34 | sing | 1.43Å | 1.44Å | |
| O6 | C33 | sing | 1.43Å | 1.45Å | |
| C34 | C33 | sing | 1.53Å | 1.55Å | |
| C34 | C30 | sing | 1.53Å | 1.56Å | |
| C29 | O8 | sing | 1.43Å | 1.45Å | |
| C29 | C30 | sing | 1.53Å | 1.56Å | |
| C33 | C32 | sing | 1.53Å | 1.56Å | |
| C30 | O9 | sing | 1.43Å | 1.48Å | |
| C32 | O5 | sing | 1.43Å | 1.45Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| O9 | C31 | sing | 1.43Å | 1.47Å | |
| C31 | O4 | sing | 1.43Å | 1.43Å | |
| O4 | C28 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | C20 | sing | 1.51Å | 1.56Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C20 | N2 | sing | 1.35Å | 1.35Å | |
| C20 | O | doub | 1.21Å | 1.23Å | |
| N2 | C27 | sing | 1.46Å | 1.49Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C26 | O3 | sing | 1.43Å | 1.43Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C25 | O2 | sing | 1.43Å | 1.43Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.56Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C38 | C37 | sing | 1.53Å | 1.53Å | |
| O1 | C21 | doub | 1.21Å | 1.23Å | |
| C7 | C40 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.51Å | 1.54Å | |
| C21 | N1 | sing | 1.35Å | 1.34Å | |
| C40 | C41 | sing | 1.53Å | 1.56Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C36 | C35 | sing | 1.53Å | 1.54Å | |
| C42 | C41 | sing | 1.53Å | 1.55Å | |
| C42 | C43 | sing | 1.53Å | 1.55Å | |
| N1 | C19 | sing | 1.47Å | 1.47Å | |
| C43 | C35 | sing | 1.53Å | 1.56Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C8 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| O6 | H1 | sing | 0.97Å | 0.95Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| O2 | H10 | sing | 0.97Å | 0.95Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| N1 | H13 | sing | 0.97Å | 1.00Å | |
| C38 | H14 | sing | 1.09Å | 1.10Å | |
| C38 | H15 | sing | 1.09Å | 1.10Å | |
| C37 | H17 | sing | 1.09Å | 1.10Å | |
| C37 | H18 | sing | 1.09Å | 1.10Å | |
| C36 | H19 | sing | 1.09Å | 1.10Å | |
| C36 | H20 | sing | 1.09Å | 1.10Å | |
| C35 | H21 | sing | 1.09Å | 1.10Å | |
| C35 | H22 | sing | 1.09Å | 1.10Å | |
| C43 | H23 | sing | 1.09Å | 1.10Å | |
| C43 | H24 | sing | 1.09Å | 1.10Å | |
| C42 | H25 | sing | 1.09Å | 1.10Å | |
| C42 | H26 | sing | 1.09Å | 1.10Å | |
| C41 | H27 | sing | 1.09Å | 1.10Å | |
| C41 | H28 | sing | 1.09Å | 1.10Å | |
| C40 | H29 | sing | 1.09Å | 1.10Å | |
| C40 | H30 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C1 | H33 | sing | 1.09Å | 1.10Å | |
| C1 | H34 | sing | 1.09Å | 1.10Å | |
| N2 | H35 | sing | 0.97Å | 1.00Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C28 | H38 | sing | 1.09Å | 1.10Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | H41 | sing | 1.09Å | 1.10Å | |
| C29 | H42 | sing | 1.09Å | 1.10Å | |
| O8 | H43 | sing | 0.97Å | 0.95Å | |
| C34 | H44 | sing | 1.09Å | 1.10Å | |
| O7 | H45 | sing | 0.97Å | 0.95Å | |
| C33 | H46 | sing | 1.09Å | 1.10Å | |
| C32 | H47 | sing | 1.09Å | 1.10Å | |
| O5 | H48 | sing | 0.97Å | 0.95Å | |
| C26 | H49 | sing | 1.09Å | 1.10Å | |
| O3 | H50 | sing | 0.97Å | 0.95Å | |
| C25 | H51 | sing | 1.09Å | 1.10Å | |
| C24 | H52 | sing | 1.09Å | 1.10Å | |
| C24 | H53 | sing | 1.09Å | 1.10Å | |
| C23 | H54 | sing | 1.09Å | 1.10Å | |
| C23 | H55 | sing | 1.09Å | 1.10Å | |
| C22 | H56 | sing | 1.09Å | 1.10Å | |
| C22 | H57 | sing | 1.09Å | 1.10Å | |
| C19 | H58 | sing | 1.09Å | 1.10Å | |
| C19 | H59 | sing | 1.09Å | 1.10Å | |
| C18 | H60 | sing | 1.09Å | 1.10Å | |
| C18 | H61 | sing | 1.09Å | 1.10Å | |
| C17 | H62 | sing | 1.09Å | 1.10Å | |
| C17 | H63 | sing | 1.09Å | 1.10Å | |
| C16 | H64 | sing | 1.09Å | 1.10Å | |
| C16 | H65 | sing | 1.09Å | 1.10Å | |
| C15 | H66 | sing | 1.09Å | 1.10Å | |
| C15 | H67 | sing | 1.09Å | 1.10Å | |
| C14 | H68 | sing | 1.09Å | 1.10Å | |
| C14 | H69 | sing | 1.09Å | 1.10Å | |
| C12 | H70 | sing | 1.08Å | 1.08Å | |
| C11 | H71 | sing | 1.08Å | 1.08Å | |
| C10 | H72 | sing | 1.08Å | 1.08Å | |
| C9 | H73 | sing | 1.08Å | 1.08Å | |
| C8 | H74 | sing | 1.08Å | 1.08Å | |
| C38 | C39 | sing | 1.53Å | 31.16Å | |
| C39 | H16 | sing | 1.09Å | 0.00Å | |
| C39 | H75 | sing | 1.09Å | 0.00Å | |
| C39 | H76 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C34 | C33 | 109.6° | 109.5° |
| O7 | C34 | C30 | 111.5° | 109.5° |
| O7 | C34 | H44 | 109.9° | 109.6° |
| C34 | O7 | H45 | 109.5° | 114.1° |
| O6 | C33 | C34 | 111.5° | 109.5° |
| O6 | C33 | C32 | 110.2° | 109.5° |
| C33 | O6 | H1 | 109.5° | 114.0° |
| O6 | C33 | H46 | 109.1° | 109.6° |
| C33 | C34 | C30 | 109.0° | 109.2° |
| C34 | C33 | C32 | 110.2° | 109.0° |
| C33 | C34 | H44 | 108.5° | 109.5° |
| C34 | C33 | H46 | 107.9° | 109.5° |
| C34 | C30 | C29 | 113.1° | 109.5° |
| C34 | C30 | O9 | 109.9° | 109.4° |
| C34 | C30 | H40 | 107.7° | 109.5° |
| C30 | C34 | H44 | 108.3° | 109.5° |
| O8 | C29 | C30 | 111.9° | 109.5° |
| O8 | C29 | H41 | 108.9° | 109.5° |
| O8 | C29 | H42 | 108.8° | 109.4° |
| C29 | O8 | H43 | 109.5° | 114.0° |
| C29 | C30 | O9 | 109.7° | 109.5° |
| C29 | C30 | H40 | 107.7° | 109.5° |
| C30 | C29 | H41 | 108.8° | 109.5° |
| C30 | C29 | H42 | 108.9° | 109.5° |
| C33 | C32 | O5 | 110.4° | 109.6° |
| C33 | C32 | C31 | 109.5° | 109.1° |
| C32 | C33 | H46 | 107.8° | 109.7° |
| C33 | C32 | H47 | 108.5° | 109.5° |
| C30 | O9 | C31 | 116.6° | 114.1° |
| O9 | C30 | H40 | 108.6° | 109.5° |
| O5 | C32 | C31 | 109.8° | 109.5° |
| O5 | C32 | H47 | 109.9° | 109.5° |
| C32 | O5 | H48 | 109.5° | 114.0° |
| C32 | C31 | O9 | 110.0° | 109.4° |
| C32 | C31 | O4 | 107.6° | 109.5° |
| C32 | C31 | H39 | 107.8° | 109.5° |
| C31 | C32 | H47 | 108.7° | 109.6° |
| O9 | C31 | O4 | 113.6° | 109.5° |
| O9 | C31 | H39 | 108.5° | 109.4° |
| C31 | O4 | C28 | 116.3° | 114.0° |
| O4 | C31 | H39 | 109.1° | 109.5° |
| O4 | C28 | C27 | 108.6° | 109.4° |
| O4 | C28 | H37 | 109.7° | 109.5° |
| O4 | C28 | H38 | 109.7° | 109.5° |
| C2 | C1 | C20 | 112.5° | 109.5° |
| C1 | C2 | C3 | 110.0° | 109.5° |
| C1 | C2 | H11 | 109.3° | 109.5° |
| C1 | C2 | H12 | 109.3° | 109.4° |
| C2 | C1 | H33 | 108.7° | 109.5° |
| C2 | C1 | H34 | 108.7° | 109.5° |
| C1 | C20 | N2 | 116.3° | 120.0° |
| C1 | C20 | O | 121.4° | 120.0° |
| C20 | C1 | H33 | 108.7° | 109.5° |
| C20 | C1 | H34 | 108.7° | 109.5° |
| C28 | C27 | N2 | 112.7° | 109.5° |
| C28 | C27 | C26 | 109.0° | 109.5° |
| C28 | C27 | H36 | 108.3° | 109.4° |
| C27 | C28 | H37 | 109.7° | 109.5° |
| C27 | C28 | H38 | 109.7° | 109.5° |
| C2 | C3 | C4 | 103.9° | 109.5° |
| C3 | C2 | H11 | 109.4° | 109.5° |
| C3 | C2 | H12 | 109.4° | 109.4° |
| C2 | C3 | H31 | 110.9° | 109.5° |
| C2 | C3 | H32 | 110.8° | 109.4° |
| N2 | C20 | O | 122.2° | 120.0° |
| C20 | N2 | C27 | 122.7° | 120.0° |
| C20 | N2 | H35 | 118.7° | 120.0° |
| N2 | C27 | C26 | 109.8° | 109.5° |
| C27 | N2 | H35 | 118.7° | 120.0° |
| N2 | C27 | H36 | 108.7° | 109.5° |
| C27 | C26 | O3 | 109.2° | 109.4° |
| C27 | C26 | C25 | 112.5° | 109.5° |
| C26 | C27 | H36 | 108.1° | 109.5° |
| C27 | C26 | H49 | 108.1° | 109.5° |
| C3 | C4 | C5 | 112.7° | 109.5° |
| C3 | C4 | H8 | 108.7° | 109.5° |
| C3 | C4 | H9 | 108.7° | 109.5° |
| C4 | C3 | H31 | 110.8° | 109.5° |
| C4 | C3 | H32 | 110.9° | 109.5° |
| O3 | C26 | C25 | 109.3° | 109.5° |
| O3 | C26 | H49 | 109.5° | 109.5° |
| C26 | O3 | H50 | 109.5° | 114.0° |
| C26 | C25 | O2 | 104.9° | 109.5° |
| C26 | C25 | C24 | 111.9° | 109.5° |
| C25 | C26 | H49 | 108.2° | 109.5° |
| C26 | C25 | H51 | 108.6° | 109.5° |
| C4 | C5 | C6 | 101.8° | 109.5° |
| C4 | C5 | H4 | 111.4° | 109.5° |
| C4 | C5 | H5 | 111.4° | 109.4° |
| C5 | C4 | H8 | 108.6° | 109.5° |
| C5 | C4 | H9 | 108.6° | 109.4° |
| O2 | C25 | C24 | 112.5° | 109.5° |
| C25 | O2 | H10 | 109.5° | 113.9° |
| O2 | C25 | H51 | 110.1° | 109.4° |
| C25 | C24 | C23 | 112.7° | 109.5° |
| C24 | C25 | H51 | 108.7° | 109.4° |
| C25 | C24 | H52 | 108.7° | 109.5° |
| C25 | C24 | H53 | 108.6° | 109.5° |
| C5 | C6 | C7 | 119.0° | 109.5° |
| C5 | C6 | H2 | 107.0° | 109.5° |
| C5 | C6 | H3 | 107.0° | 109.5° |
| C6 | C5 | H4 | 111.4° | 109.5° |
| C6 | C5 | H5 | 111.3° | 109.4° |
| C6 | C7 | C40 | 114.7° | 109.5° |
| C7 | C6 | H2 | 107.0° | 109.4° |
| C7 | C6 | H3 | 107.0° | 109.5° |
| C6 | C7 | H6 | 108.1° | 109.4° |
| C6 | C7 | H7 | 108.1° | 109.5° |
| C24 | C23 | C22 | 111.0° | 109.5° |
| C23 | C24 | H52 | 108.7° | 109.5° |
| C23 | C24 | H53 | 108.7° | 109.4° |
| C24 | C23 | H54 | 109.1° | 109.5° |
| C24 | C23 | H55 | 109.1° | 109.4° |
| C38 | C37 | C36 | 104.9° | 109.5° |
| C37 | C38 | H14 | 123.2° | 109.4° |
| C37 | C38 | H15 | 123.2° | 109.5° |
| C38 | C37 | H17 | 110.6° | 109.5° |
| C38 | C37 | H18 | 110.6° | 109.4° |
| C37 | C38 | C39 | 37.2° | 109.5° |
| O1 | C21 | C22 | 121.1° | 120.0° |
| O1 | C21 | N1 | 124.4° | 120.0° |
| C7 | C40 | C41 | 110.3° | 109.5° |
| C40 | C7 | H6 | 108.1° | 109.5° |
| C40 | C7 | H7 | 108.1° | 109.5° |
| C7 | C40 | H29 | 109.3° | 109.4° |
| C7 | C40 | H30 | 109.3° | 109.5° |
| C23 | C22 | C21 | 109.2° | 109.5° |
| C22 | C23 | H54 | 109.1° | 109.5° |
| C22 | C23 | H55 | 109.1° | 109.5° |
| C23 | C22 | H56 | 109.5° | 109.4° |
| C23 | C22 | H57 | 109.5° | 109.5° |
| C22 | C21 | N1 | 114.5° | 120.0° |
| C21 | C22 | H56 | 109.6° | 109.5° |
| C21 | C22 | H57 | 109.5° | 109.5° |
| C21 | N1 | C19 | 123.4° | 120.0° |
| C21 | N1 | H13 | 118.3° | 120.0° |
| C40 | C41 | C42 | 113.8° | 109.5° |
| C40 | C41 | H27 | 108.4° | 109.5° |
| C40 | C41 | H28 | 108.4° | 109.4° |
| C41 | C40 | H29 | 109.3° | 109.4° |
| C41 | C40 | H30 | 109.3° | 109.5° |
| C37 | C36 | C35 | 108.2° | 109.5° |
| C36 | C37 | H17 | 110.6° | 109.5° |
| C36 | C37 | H18 | 110.6° | 109.4° |
| C37 | C36 | H19 | 109.8° | 109.5° |
| C37 | C36 | H20 | 109.8° | 109.5° |
| C36 | C35 | C43 | 111.5° | 109.5° |
| C35 | C36 | H19 | 109.8° | 109.5° |
| C35 | C36 | H20 | 109.8° | 109.4° |
| C36 | C35 | H21 | 109.0° | 109.5° |
| C36 | C35 | H22 | 109.0° | 109.4° |
| C41 | C42 | C43 | 111.0° | 109.5° |
| C41 | C42 | H25 | 109.1° | 109.5° |
| C41 | C42 | H26 | 109.1° | 109.5° |
| C42 | C41 | H27 | 108.4° | 109.5° |
| C42 | C41 | H28 | 108.4° | 109.5° |
| C42 | C43 | C35 | 112.6° | 109.5° |
| C42 | C43 | H23 | 108.7° | 109.4° |
| C42 | C43 | H24 | 108.7° | 109.5° |
| C43 | C42 | H25 | 109.1° | 109.5° |
| C43 | C42 | H26 | 109.1° | 109.5° |
| N1 | C19 | C18 | 109.2° | 109.4° |
| C19 | N1 | H13 | 118.3° | 120.0° |
| N1 | C19 | H58 | 109.5° | 109.5° |
| N1 | C19 | H59 | 109.5° | 109.5° |
| C43 | C35 | H21 | 108.9° | 109.4° |
| C43 | C35 | H22 | 108.9° | 109.5° |
| C35 | C43 | H23 | 108.7° | 109.5° |
| C35 | C43 | H24 | 108.7° | 109.5° |
| C19 | C18 | C17 | 113.4° | 109.5° |
| C18 | C19 | H58 | 109.6° | 109.5° |
| C18 | C19 | H59 | 109.5° | 109.5° |
| C19 | C18 | H60 | 108.5° | 109.5° |
| C19 | C18 | H61 | 108.5° | 109.5° |
| C18 | C17 | C16 | 108.9° | 109.5° |
| C17 | C18 | H60 | 108.5° | 109.4° |
| C17 | C18 | H61 | 108.5° | 109.5° |
| C18 | C17 | H62 | 109.6° | 109.5° |
| C18 | C17 | H63 | 109.6° | 109.5° |
| C17 | C16 | C15 | 111.2° | 109.5° |
| C16 | C17 | H62 | 109.6° | 109.4° |
| C16 | C17 | H63 | 109.6° | 109.5° |
| C17 | C16 | H64 | 109.0° | 109.5° |
| C17 | C16 | H65 | 109.0° | 109.5° |
| C16 | C15 | C14 | 108.1° | 109.4° |
| C15 | C16 | H64 | 109.1° | 109.5° |
| C15 | C16 | H65 | 109.1° | 109.4° |
| C16 | C15 | H66 | 109.8° | 109.5° |
| C16 | C15 | H67 | 109.8° | 109.4° |
| C15 | C14 | C13 | 119.5° | 109.5° |
| C14 | C15 | H66 | 109.8° | 109.5° |
| C14 | C15 | H67 | 109.8° | 109.4° |
| C15 | C14 | H68 | 106.9° | 109.5° |
| C15 | C14 | H69 | 106.9° | 109.4° |
| C14 | C13 | C8 | 122.0° | 120.0° |
| C14 | C13 | C12 | 117.9° | 120.0° |
| C13 | C14 | H68 | 106.9° | 109.5° |
| C13 | C14 | H69 | 106.9° | 109.4° |
| C13 | C8 | C9 | 119.6° | 120.0° |
| C8 | C13 | C12 | 120.2° | 120.0° |
| C13 | C8 | H74 | 120.2° | 120.0° |
| C8 | C9 | C10 | 120.4° | 120.0° |
| C8 | C9 | H73 | 119.8° | 120.0° |
| C9 | C8 | H74 | 120.2° | 120.0° |
| C13 | C12 | C11 | 119.6° | 120.0° |
| C13 | C12 | H70 | 120.2° | 120.0° |
| C9 | C10 | C11 | 119.0° | 120.0° |
| C9 | C10 | H72 | 120.5° | 120.0° |
| C10 | C9 | H73 | 119.8° | 120.0° |
| C12 | C11 | C10 | 121.3° | 120.0° |
| C11 | C12 | H70 | 120.2° | 120.0° |
| C12 | C11 | H71 | 119.3° | 120.0° |
| C10 | C11 | H71 | 119.4° | 120.0° |
| C11 | C10 | H72 | 120.5° | 120.0° |
| H2 | C6 | H3 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.5° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H8 | C4 | H9 | 109.5° | 109.5° |
| H11 | C2 | H12 | 109.5° | 109.5° |
| H14 | C38 | H15 | 109.5° | 109.5° |
| H14 | C38 | C39 | 123.2° | 109.5° |
| H15 | C38 | C39 | 123.1° | 109.5° |
| H17 | C37 | H18 | 109.4° | 109.5° |
| H19 | C36 | H20 | 109.5° | 109.5° |
| H21 | C35 | H22 | 109.5° | 109.5° |
| H23 | C43 | H24 | 109.5° | 109.4° |
| H25 | C42 | H26 | 109.4° | 109.4° |
| H27 | C41 | H28 | 109.5° | 109.5° |
| H29 | C40 | H30 | 109.5° | 109.5° |
| H31 | C3 | H32 | 109.5° | 109.5° |
| H33 | C1 | H34 | 109.4° | 109.5° |
| H37 | C28 | H38 | 109.5° | 109.5° |
| H41 | C29 | H42 | 109.5° | 109.4° |
| H52 | C24 | H53 | 109.5° | 109.5° |
| H54 | C23 | H55 | 109.5° | 109.5° |
| H56 | C22 | H57 | 109.5° | 109.5° |
| H58 | C19 | H59 | 109.5° | 109.5° |
| H60 | C18 | H61 | 109.5° | 109.5° |
| H62 | C17 | H63 | 109.5° | 109.5° |
| H64 | C16 | H65 | 109.4° | 109.5° |
| H66 | C15 | H67 | 109.4° | 109.5° |
| H68 | C14 | H69 | 109.5° | 109.5° |
| C38 | C39 | H16 | 90.0° | 109.5° |
| C38 | C39 | H75 | 90.0° | 109.5° |
| C38 | C39 | H76 | 90.0° | 109.5° |
| H16 | C39 | H75 | 90.0° | 109.5° |
| H16 | C39 | H76 | 90.0° | 109.4° |
| H75 | C39 | H76 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C34 | C33 | O6 | 58.8° | 56.9° |
| O7 | C34 | C33 | C30 | 122.3° | 119.9° |
| O7 | C34 | C33 | H44 | 120.0° | 120.2° |
| O7 | C34 | C30 | H44 | 121.0° | 120.2° |
| O7 | C34 | C30 | C29 | 56.6° | 57.7° |
| O7 | C34 | C33 | C32 | 64.0° | 62.9° |
| O7 | C34 | C30 | O9 | 66.4° | 62.3° |
| O7 | C34 | C30 | H40 | 175.4° | 177.7° |
| O7 | C34 | C33 | H46 | 178.6° | 177.1° |
| O6 | C33 | C34 | C32 | 122.8° | 119.8° |
| O6 | C33 | C34 | H46 | 119.8° | 120.2° |
| O6 | C33 | C34 | C30 | 178.9° | 176.8° |
| O6 | C33 | C32 | H46 | 119.0° | 120.3° |
| O6 | C33 | C32 | O5 | 56.6° | 63.3° |
| O6 | C33 | C32 | C31 | 177.6° | 176.8° |
| O6 | C33 | C34 | H44 | 61.2° | 63.3° |
| O6 | C33 | C32 | H47 | 63.8° | 56.9° |
| C33 | C34 | C30 | H44 | 117.8° | 119.8° |
| C33 | C34 | C30 | C29 | 177.7° | 177.7° |
| C34 | C33 | C32 | H46 | 117.5° | 119.9° |
| C33 | C34 | C30 | O9 | 54.7° | 57.6° |
| C34 | C33 | C32 | O5 | 179.9° | 176.9° |
| C34 | C33 | C32 | C31 | 58.9° | 57.0° |
| C34 | C33 | O6 | H1 | 180.0° | 180.0° |
| C33 | C34 | C30 | H40 | 63.4° | 62.4° |
| C33 | C34 | O7 | H45 | 180.0° | 59.9° |
| C34 | C33 | C32 | H47 | 59.7° | 63.0° |
| C34 | C30 | C29 | O8 | 99.0° | 175.1° |
| C34 | C30 | C29 | O9 | 123.1° | 120.0° |
| C34 | C30 | C29 | H40 | 118.9° | 120.0° |
| C30 | C34 | C33 | C32 | 58.3° | 57.0° |
| C34 | C30 | O9 | H40 | 117.5° | 120.0° |
| C34 | C30 | O9 | C31 | 55.5° | 61.1° |
| C34 | C30 | C29 | H41 | 140.7° | 55.0° |
| C34 | C30 | C29 | H42 | 21.4° | 65.0° |
| C30 | C34 | O7 | H45 | 59.2° | 179.7° |
| C30 | C34 | C33 | H46 | 59.1° | 63.0° |
| O8 | C29 | C30 | H41 | 120.4° | 120.0° |
| O8 | C29 | C30 | H42 | 120.3° | 120.0° |
| O8 | C29 | C30 | O9 | 137.9° | 65.0° |
| O8 | C29 | C30 | H40 | 19.9° | 55.1° |
| O8 | C29 | H41 | H42 | 118.9° | 119.9° |
| C29 | C30 | O9 | H40 | 117.5° | 120.0° |
| C29 | C30 | O9 | C31 | 179.5° | 178.8° |
| C30 | C29 | H41 | H42 | 118.9° | 120.0° |
| C30 | C29 | O8 | H43 | 180.0° | 180.0° |
| C29 | C30 | C34 | H44 | 64.5° | 62.5° |
| C33 | C32 | O5 | C31 | 120.9° | 119.7° |
| C33 | C32 | O5 | H47 | 119.6° | 120.2° |
| C33 | C32 | C31 | H47 | 118.4° | 119.9° |
| C33 | C32 | C31 | O9 | 55.2° | 57.6° |
| C33 | C32 | C31 | O4 | 69.1° | 62.4° |
| C32 | C33 | O6 | H1 | 57.3° | 60.5° |
| C33 | C32 | C31 | H39 | 173.4° | 177.6° |
| C32 | C33 | C34 | H44 | 176.0° | 176.9° |
| C33 | C32 | O5 | H48 | 180.0° | 180.0° |
| C30 | O9 | C31 | C32 | 55.8° | 61.2° |
| C30 | O9 | C31 | O4 | 65.0° | 58.8° |
| C30 | O9 | C31 | H39 | 173.5° | 178.8° |
| O9 | C30 | C29 | H41 | 17.6° | 175.0° |
| O9 | C30 | C29 | H42 | 101.7° | 55.0° |
| O9 | C30 | C34 | H44 | 172.5° | 177.5° |
| O5 | C32 | C31 | H47 | 120.3° | 120.1° |
| O5 | C32 | C31 | O9 | 176.6° | 177.5° |
| O5 | C32 | C31 | O4 | 52.3° | 57.6° |
| O5 | C32 | C31 | H39 | 65.3° | 62.5° |
| O5 | C32 | C33 | H46 | 62.4° | 57.0° |
| C32 | C31 | O9 | O4 | 120.8° | 120.0° |
| C32 | C31 | O9 | H39 | 117.7° | 120.0° |
| C32 | C31 | O4 | H39 | 116.7° | 120.1° |
| C32 | C31 | O4 | C28 | 167.0° | 170.0° |
| C31 | C32 | C33 | H46 | 58.6° | 62.9° |
| C31 | C32 | O5 | H48 | 59.1° | 60.3° |
| O9 | C31 | O4 | H39 | 121.3° | 119.9° |
| O9 | C31 | O4 | C28 | 44.9° | 70.0° |
| C31 | O9 | C30 | H40 | 62.1° | 58.8° |
| O9 | C31 | C32 | H47 | 63.2° | 62.3° |
| C31 | O4 | C28 | C27 | 169.8° | 180.0° |
| C31 | O4 | C28 | H37 | 50.0° | 60.0° |
| C31 | O4 | C28 | H38 | 70.3° | 60.0° |
| O4 | C31 | C32 | H47 | 172.5° | 177.7° |
| O4 | C28 | C27 | H37 | 119.9° | 120.0° |
| O4 | C28 | C27 | H38 | 119.9° | 120.0° |
| O4 | C28 | C27 | N2 | 66.7° | 64.3° |
| O4 | C28 | C27 | C26 | 55.6° | 55.7° |
| O4 | C28 | C27 | H36 | 173.0° | 175.7° |
| O4 | C28 | H37 | H38 | 120.4° | 120.0° |
| C28 | O4 | C31 | H39 | 76.3° | 49.9° |
| C2 | C1 | C20 | H33 | 120.5° | 120.0° |
| C2 | C1 | C20 | H34 | 120.5° | 120.0° |
| C1 | C2 | C3 | H11 | 120.1° | 120.0° |
| C1 | C2 | C3 | H12 | 120.1° | 119.9° |
| C2 | C1 | C20 | N2 | 152.9° | 180.0° |
| C2 | C1 | C20 | O | 30.5° | 0.0° |
| C1 | C2 | C3 | C4 | 178.5° | NaN° |
| C1 | C2 | H11 | H12 | 119.7° | 120.0° |
| C1 | C2 | C3 | H31 | 62.4° | 60.0° |
| C1 | C2 | C3 | H32 | 59.4° | 60.0° |
| C2 | C1 | H33 | H34 | 118.6° | 120.0° |
| C20 | C1 | C2 | C3 | 87.7° | 180.0° |
| C1 | C20 | N2 | O | 176.6° | 180.0° |
| C1 | C20 | N2 | C27 | 179.9° | 180.0° |
| C20 | C1 | C2 | H11 | 152.2° | 60.0° |
| C20 | C1 | C2 | H12 | 32.4° | 60.0° |
| C20 | C1 | H33 | H34 | 118.6° | 120.0° |
| C1 | C20 | N2 | H35 | 0.1° | 0.0° |
| C28 | C27 | N2 | C20 | 88.8° | 85.0° |
| C28 | C27 | N2 | C26 | 121.8° | 120.0° |
| C28 | C27 | N2 | H36 | 120.1° | 120.0° |
| C28 | C27 | C26 | H36 | 117.5° | 120.0° |
| C28 | C27 | C26 | O3 | 61.0° | 54.4° |
| C28 | C27 | C26 | C25 | 177.5° | 174.5° |
| C28 | C27 | N2 | H35 | 91.2° | 95.0° |
| C27 | C28 | H37 | H38 | 120.4° | 120.0° |
| C28 | C27 | C26 | H49 | 58.1° | 65.5° |
| C2 | C3 | C4 | H31 | 119.1° | 120.0° |
| C2 | C3 | C4 | H32 | 119.1° | 119.9° |
| C2 | C3 | C4 | C5 | 178.6° | NaN° |
| C2 | C3 | C4 | H8 | 60.9° | 60.0° |
| C2 | C3 | C4 | H9 | 58.1° | 60.1° |
| C3 | C2 | H11 | H12 | 119.8° | 120.0° |
| C2 | C3 | H31 | H32 | 122.5° | 120.0° |
| C3 | C2 | C1 | H33 | 151.8° | 60.0° |
| C3 | C2 | C1 | H34 | 32.7° | 60.1° |
| C20 | N2 | C27 | H35 | 180.0° | 179.9° |
| C20 | N2 | C27 | C26 | 149.4° | 155.0° |
| N2 | C20 | C1 | H33 | 86.6° | 60.0° |
| N2 | C20 | C1 | H34 | 32.4° | 60.0° |
| C20 | N2 | C27 | H36 | 31.3° | 35.0° |
| O | C20 | N2 | C27 | 3.3° | 0.0° |
| O | C20 | C1 | H33 | 90.0° | 120.0° |
| O | C20 | C1 | H34 | 150.9° | 120.0° |
| O | C20 | N2 | H35 | 176.7° | 180.0° |
| N2 | C27 | C26 | H36 | 118.5° | 120.0° |
| N2 | C27 | C26 | O3 | 175.0° | 174.4° |
| N2 | C27 | C26 | C25 | 53.5° | 65.5° |
| N2 | C27 | C28 | H37 | 53.2° | 175.8° |
| N2 | C27 | C28 | H38 | 173.5° | 55.7° |
| N2 | C27 | C26 | H49 | 65.9° | 54.5° |
| C27 | C26 | O3 | C25 | 123.4° | 120.0° |
| C27 | C26 | O3 | H49 | 118.3° | 120.0° |
| C27 | C26 | C25 | H49 | 119.4° | 120.0° |
| C27 | C26 | C25 | O2 | 168.5° | 60.0° |
| C27 | C26 | C25 | C24 | 46.2° | 180.0° |
| C26 | C27 | N2 | H35 | 30.6° | 25.0° |
| C26 | C27 | C28 | H37 | 175.4° | 64.2° |
| C26 | C27 | C28 | H38 | 64.3° | 175.7° |
| C27 | C26 | O3 | H50 | 180.0° | 61.8° |
| C27 | C26 | C25 | H51 | 73.9° | 60.0° |
| C3 | C4 | C5 | H8 | 120.5° | 120.0° |
| C3 | C4 | C5 | H9 | 120.5° | 120.0° |
| C3 | C4 | C5 | C6 | 157.9° | NaN° |
| C3 | C4 | C5 | H4 | 83.4° | 60.0° |
| C3 | C4 | C5 | H5 | 39.2° | 60.1° |
| C3 | C4 | H8 | H9 | 118.5° | 120.0° |
| C4 | C3 | C2 | H11 | 58.5° | 60.0° |
| C4 | C3 | C2 | H12 | 61.4° | 60.1° |
| C4 | C3 | H31 | H32 | 122.6° | 120.0° |
| O3 | C26 | C25 | H49 | 119.1° | 120.0° |
| O3 | C26 | C25 | O2 | 47.0° | 179.9° |
| O3 | C26 | C25 | C24 | 75.3° | 60.0° |
| O3 | C26 | C27 | H36 | 56.5° | 65.5° |
| O3 | C26 | C25 | H51 | 164.7° | 60.0° |
| C26 | C25 | O2 | C24 | 121.9° | 120.0° |
| C26 | C25 | O2 | H51 | 116.7° | 120.0° |
| C26 | C25 | C24 | H51 | 120.0° | 120.0° |
| C26 | C25 | C24 | C23 | 144.4° | 175.0° |
| C26 | C25 | O2 | H10 | 180.0° | 60.0° |
| C25 | C26 | C27 | H36 | 65.0° | 54.5° |
| C25 | C26 | O3 | H50 | 56.6° | 58.2° |
| C26 | C25 | C24 | H52 | 95.2° | 55.0° |
| C26 | C25 | C24 | H53 | 23.9° | 65.0° |
| C4 | C5 | C6 | H4 | 118.8° | 120.0° |
| C4 | C5 | C6 | H5 | 118.8° | 119.9° |
| C4 | C5 | C6 | C7 | 150.1° | 180.0° |
| C4 | C5 | C6 | H2 | 88.6° | 60.1° |
| C4 | C5 | C6 | H3 | 28.7° | 60.0° |
| C4 | C5 | H4 | H5 | 123.6° | 120.0° |
| C5 | C4 | H8 | H9 | 118.5° | 120.0° |
| C5 | C4 | C3 | H31 | 59.5° | 60.0° |
| C5 | C4 | C3 | H32 | 62.3° | 60.1° |
| O2 | C25 | C24 | H51 | 122.2° | 119.9° |
| O2 | C25 | C24 | C23 | 26.5° | 64.9° |
| O2 | C25 | C26 | H49 | 72.1° | 60.0° |
| O2 | C25 | C24 | H52 | 147.0° | 175.0° |
| O2 | C25 | C24 | H53 | 93.9° | 55.0° |
| C25 | C24 | C23 | H52 | 120.5° | 120.1° |
| C25 | C24 | C23 | H53 | 120.4° | 120.0° |
| C25 | C24 | C23 | C22 | 48.5° | 180.0° |
| C24 | C25 | O2 | H10 | 58.1° | 60.0° |
| C24 | C25 | C26 | H49 | 165.6° | 60.0° |
| C25 | C24 | H52 | H53 | 118.5° | 120.0° |
| C25 | C24 | C23 | H54 | 168.7° | 59.9° |
| C25 | C24 | C23 | H55 | 71.8° | 60.0° |
| C5 | C6 | C7 | H2 | 121.4° | 120.0° |
| C5 | C6 | C7 | H3 | 121.3° | 120.0° |
| C5 | C6 | C7 | C40 | 35.7° | 180.0° |
| C5 | C6 | H2 | H3 | 115.7° | 120.0° |
| C6 | C5 | H4 | H5 | 123.5° | 120.0° |
| C5 | C6 | C7 | H6 | 85.1° | 60.0° |
| C5 | C6 | C7 | H7 | 156.4° | 60.0° |
| C6 | C5 | C4 | H8 | 37.4° | 60.0° |
| C6 | C5 | C4 | H9 | 81.6° | 60.0° |
| C6 | C7 | C40 | H6 | 120.8° | 120.0° |
| C6 | C7 | C40 | H7 | 120.8° | 120.0° |
| C6 | C7 | C40 | C41 | 164.1° | 180.0° |
| C7 | C6 | H2 | H3 | 115.7° | 120.0° |
| C7 | C6 | C5 | H4 | 31.3° | 60.0° |
| C7 | C6 | C5 | H5 | 91.2° | 60.0° |
| C6 | C7 | H6 | H7 | 117.6° | 120.0° |
| C6 | C7 | C40 | H29 | 44.0° | 60.0° |
| C6 | C7 | C40 | H30 | 75.8° | 60.0° |
| C24 | C23 | C22 | H54 | 120.2° | 120.0° |
| C24 | C23 | C22 | H55 | 120.2° | 120.0° |
| C24 | C23 | C22 | C21 | 96.7° | 180.0° |
| C23 | C24 | C25 | H51 | 95.6° | 55.0° |
| C23 | C24 | H52 | H53 | 118.6° | 119.9° |
| C24 | C23 | H54 | H55 | 119.3° | 119.9° |
| C24 | C23 | C22 | H56 | 143.3° | 60.0° |
| C24 | C23 | C22 | H57 | 23.2° | 60.0° |
| C38 | C37 | C36 | H17 | 119.3° | 120.0° |
| C38 | C37 | C36 | H18 | 119.3° | 119.9° |
| C38 | C37 | C36 | C35 | 174.7° | 180.0° |
| C37 | C38 | H14 | H15 | 157.6° | 120.0° |
| C37 | C38 | H14 | C39 | 44.8° | 120.0° |
| C37 | C38 | H15 | C39 | 44.8° | 120.0° |
| C38 | C37 | H17 | H18 | 122.1° | 120.0° |
| C38 | C37 | C36 | H19 | 65.5° | 60.0° |
| C38 | C37 | C36 | H20 | 55.0° | 60.1° |
| C37 | C38 | C39 | H16 | 90.0° | 60.1° |
| C37 | C38 | C39 | H75 | 90.0° | 60.0° |
| C37 | C38 | C39 | H76 | 90.0° | 180.0° |
| O1 | C21 | C22 | C23 | 97.8° | 0.0° |
| O1 | C21 | C22 | N1 | 177.5° | 180.0° |
| O1 | C21 | N1 | C19 | 0.4° | 0.0° |
| O1 | C21 | N1 | H13 | 179.6° | 180.0° |
| O1 | C21 | C22 | H56 | 142.3° | 120.0° |
| O1 | C21 | C22 | H57 | 22.2° | 120.0° |
| C7 | C40 | C41 | H29 | 120.1° | 119.9° |
| C7 | C40 | C41 | H30 | 120.1° | 120.0° |
| C7 | C40 | C41 | C42 | 81.8° | 180.0° |
| C40 | C7 | C6 | H2 | 157.0° | 60.0° |
| C40 | C7 | C6 | H3 | 85.7° | 60.0° |
| C40 | C7 | H6 | H7 | 117.6° | 120.0° |
| C7 | C40 | C41 | H27 | 157.6° | 60.0° |
| C7 | C40 | C41 | H28 | 38.9° | 60.0° |
| C7 | C40 | H29 | H30 | 119.6° | 120.0° |
| C23 | C22 | C21 | H56 | 119.9° | 120.0° |
| C23 | C22 | C21 | H57 | 120.0° | 120.0° |
| C23 | C22 | C21 | N1 | 84.7° | 180.0° |
| C22 | C23 | C24 | H52 | 72.0° | 60.0° |
| C22 | C23 | C24 | H53 | 168.9° | 60.0° |
| C22 | C23 | H54 | H55 | 119.3° | 120.1° |
| C23 | C22 | H56 | H57 | 120.1° | 120.0° |
| C22 | C21 | N1 | C19 | 177.0° | 180.0° |
| C22 | C21 | N1 | H13 | 3.0° | 0.0° |
| C21 | C22 | C23 | H54 | 23.5° | 60.0° |
| C21 | C22 | C23 | H55 | 143.1° | 60.0° |
| C21 | C22 | H56 | H57 | 120.1° | 120.0° |
| C21 | N1 | C19 | H13 | 180.0° | 180.0° |
| C21 | N1 | C19 | C18 | 126.2° | 180.0° |
| N1 | C21 | C22 | H56 | 35.2° | 60.0° |
| N1 | C21 | C22 | H57 | 155.3° | 60.0° |
| C21 | N1 | C19 | H58 | 6.2° | 60.1° |
| C21 | N1 | C19 | H59 | 113.9° | 60.0° |
| C40 | C41 | C42 | H27 | 120.6° | 120.1° |
| C40 | C41 | C42 | H28 | 120.7° | 120.0° |
| C40 | C41 | C42 | C43 | 97.1° | 180.0° |
| C41 | C40 | C7 | H6 | 75.1° | 60.1° |
| C41 | C40 | C7 | H7 | 43.3° | 60.0° |
| C40 | C41 | C42 | H25 | 142.7° | 59.9° |
| C40 | C41 | C42 | H26 | 23.2° | 60.0° |
| C40 | C41 | H27 | H28 | 118.1° | 120.0° |
| C41 | C40 | H29 | H30 | 119.6° | 120.0° |
| C37 | C36 | C35 | H19 | 119.8° | 120.0° |
| C37 | C36 | C35 | H20 | 119.8° | 120.0° |
| C37 | C36 | C35 | C43 | 171.7° | 180.0° |
| C36 | C37 | C38 | H14 | 23.6° | 60.0° |
| C36 | C37 | C38 | H15 | 178.2° | 60.0° |
| C36 | C37 | H17 | H18 | 122.1° | 120.0° |
| C37 | C36 | H19 | H20 | 120.6° | 120.0° |
| C37 | C36 | C35 | H21 | 68.0° | 60.0° |
| C37 | C36 | C35 | H22 | 51.3° | 60.0° |
| C36 | C37 | C38 | C39 | 79.1° | NaN° |
| C36 | C35 | C43 | C42 | 41.1° | 180.0° |
| C36 | C35 | C43 | H21 | 120.3° | 120.0° |
| C36 | C35 | C43 | H22 | 120.3° | 120.0° |
| C35 | C36 | C37 | H17 | 55.4° | 60.0° |
| C35 | C36 | C37 | H18 | 66.0° | 60.0° |
| C35 | C36 | H19 | H20 | 120.6° | 120.0° |
| C36 | C35 | H21 | H22 | 119.1° | 120.0° |
| C36 | C35 | C43 | H23 | 79.4° | 60.0° |
| C36 | C35 | C43 | H24 | 161.5° | 60.0° |
| C41 | C42 | C43 | H25 | 120.3° | 120.0° |
| C41 | C42 | C43 | H26 | 120.2° | 120.1° |
| C41 | C42 | C43 | C35 | 159.1° | 180.0° |
| C41 | C42 | C43 | H23 | 80.4° | 60.0° |
| C41 | C42 | C43 | H24 | 38.6° | 59.9° |
| C41 | C42 | H25 | H26 | 119.3° | 120.0° |
| C42 | C41 | H27 | H28 | 118.0° | 120.0° |
| C42 | C41 | C40 | H29 | 38.4° | 60.0° |
| C42 | C41 | C40 | H30 | 158.1° | 60.0° |
| C42 | C43 | C35 | H23 | 120.5° | 120.0° |
| C42 | C43 | C35 | H24 | 120.5° | 120.1° |
| C42 | C43 | C35 | H21 | 79.2° | 60.0° |
| C42 | C43 | C35 | H22 | 161.4° | 60.0° |
| C42 | C43 | H23 | H24 | 118.6° | 119.9° |
| C43 | C42 | H25 | H26 | 119.3° | 119.9° |
| C43 | C42 | C41 | H27 | 23.6° | 60.0° |
| C43 | C42 | C41 | H28 | 142.3° | 60.0° |
| N1 | C19 | C18 | H58 | 120.0° | 120.0° |
| N1 | C19 | C18 | H59 | 120.0° | 120.0° |
| N1 | C19 | C18 | C17 | 33.8° | 180.0° |
| N1 | C19 | H58 | H59 | 120.1° | 120.1° |
| N1 | C19 | C18 | H60 | 154.4° | 60.0° |
| N1 | C19 | C18 | H61 | 86.8° | 60.0° |
| C43 | C35 | C36 | H19 | 51.8° | 60.0° |
| C43 | C35 | C36 | H20 | 68.6° | 60.0° |
| C43 | C35 | H21 | H22 | 119.0° | 120.0° |
| C35 | C43 | H23 | H24 | 118.6° | 120.1° |
| C35 | C43 | C42 | H25 | 38.8° | 60.0° |
| C35 | C43 | C42 | H26 | 80.7° | 59.9° |
| C19 | C18 | C17 | H60 | 120.6° | 120.0° |
| C19 | C18 | C17 | H61 | 120.6° | 120.0° |
| C19 | C18 | C17 | C16 | 172.9° | 180.0° |
| C18 | C19 | N1 | H13 | 53.9° | 0.0° |
| C18 | C19 | H58 | H59 | 120.1° | 120.0° |
| C19 | C18 | H60 | H61 | 118.2° | 120.0° |
| C19 | C18 | C17 | H62 | 53.0° | 60.0° |
| C19 | C18 | C17 | H63 | 67.2° | 60.0° |
| C18 | C17 | C16 | H62 | 119.9° | 120.0° |
| C18 | C17 | C16 | H63 | 119.9° | 120.1° |
| C18 | C17 | C16 | C15 | 75.0° | 180.0° |
| C17 | C18 | C19 | H58 | 86.2° | 60.0° |
| C17 | C18 | C19 | H59 | 153.7° | 60.0° |
| C17 | C18 | H60 | H61 | 118.2° | 120.1° |
| C18 | C17 | H62 | H63 | 120.3° | 120.1° |
| C18 | C17 | C16 | H64 | 164.8° | 60.0° |
| C18 | C17 | C16 | H65 | 45.3° | 60.0° |
| C17 | C16 | C15 | H64 | 120.2° | 120.0° |
| C17 | C16 | C15 | H65 | 120.3° | 120.0° |
| C17 | C16 | C15 | C14 | 159.0° | 179.9° |
| C16 | C17 | C18 | H60 | 66.5° | 60.0° |
| C16 | C17 | C18 | H61 | 52.3° | 60.0° |
| C16 | C17 | H62 | H63 | 120.3° | 120.0° |
| C17 | C16 | H64 | H65 | 119.2° | 120.0° |
| C17 | C16 | C15 | H66 | 81.2° | 60.0° |
| C17 | C16 | C15 | H67 | 39.2° | 60.0° |
| C16 | C15 | C14 | H66 | 119.8° | 120.1° |
| C16 | C15 | C14 | H67 | 119.8° | 119.9° |
| C16 | C15 | C14 | C13 | 176.6° | 180.0° |
| C15 | C16 | C17 | H62 | 44.9° | 60.0° |
| C15 | C16 | C17 | H63 | 165.1° | 60.0° |
| C15 | C16 | H64 | H65 | 119.2° | 120.0° |
| C16 | C15 | H66 | H67 | 120.6° | 120.0° |
| C16 | C15 | C14 | H68 | 55.1° | 59.9° |
| C16 | C15 | C14 | H69 | 62.0° | 60.1° |
| C15 | C14 | C13 | H68 | 121.4° | 120.1° |
| C15 | C14 | C13 | H69 | 121.4° | 119.9° |
| C15 | C14 | C13 | C8 | 62.1° | 90.2° |
| C15 | C14 | C13 | C12 | 118.1° | 90.0° |
| C14 | C15 | C16 | H64 | 38.8° | 59.9° |
| C14 | C15 | C16 | H65 | 80.7° | 60.1° |
| C14 | C15 | H66 | H67 | 120.7° | 120.0° |
| C15 | C14 | H68 | H69 | 115.5° | 120.0° |
| C14 | C13 | C8 | C12 | 179.8° | 179.8° |
| C14 | C13 | C8 | C9 | 180.0° | 179.7° |
| C14 | C13 | C12 | C11 | 179.6° | 180.0° |
| C13 | C14 | C15 | H66 | 63.6° | 60.0° |
| C13 | C14 | C15 | H67 | 56.8° | 60.1° |
| C13 | C14 | H68 | H69 | 115.5° | 120.0° |
| C14 | C13 | C12 | H70 | 0.4° | 0.1° |
| C14 | C13 | C8 | H74 | 0.0° | 0.0° |
| C13 | C8 | C9 | H74 | 180.0° | 179.8° |
| C13 | C8 | C9 | C10 | 0.2° | 0.5° |
| C8 | C13 | C12 | C11 | 0.2° | 0.2° |
| C8 | C13 | C14 | H68 | 59.3° | 149.7° |
| C8 | C13 | C14 | H69 | 176.5° | 29.7° |
| C8 | C13 | C12 | H70 | 179.8° | 179.7° |
| C13 | C8 | C9 | H73 | 179.8° | 179.7° |
| C9 | C8 | C13 | C12 | 0.2° | 0.5° |
| C8 | C9 | C10 | H73 | 180.0° | 179.8° |
| C8 | C9 | C10 | C11 | 0.1° | 0.3° |
| C8 | C9 | C10 | H72 | 179.9° | 179.8° |
| C13 | C12 | C11 | H70 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.6° | 0.0° |
| C12 | C13 | C14 | H68 | 120.5° | 30.1° |
| C12 | C13 | C14 | H69 | 3.3° | 150.1° |
| C13 | C12 | C11 | H71 | 179.4° | 180.0° |
| C12 | C13 | C8 | H74 | 179.8° | 179.8° |
| C9 | C10 | C11 | C12 | 0.5° | 0.0° |
| C9 | C10 | C11 | H72 | 180.0° | 180.0° |
| C9 | C10 | C11 | H71 | 179.5° | 180.0° |
| C10 | C9 | C8 | H74 | 179.8° | 179.7° |
| C12 | C11 | C10 | H71 | 180.0° | 180.0° |
| C12 | C11 | C10 | H72 | 179.5° | 180.0° |
| C10 | C11 | C12 | H70 | 179.4° | 180.0° |
| C11 | C10 | C9 | H73 | 179.9° | 179.9° |
| H1 | O6 | C33 | H46 | 60.9° | 59.9° |
| H2 | C6 | C5 | H4 | 152.6° | 60.0° |
| H2 | C6 | C5 | H5 | 30.2° | 180.0° |
| H2 | C6 | C7 | H6 | 36.2° | 180.0° |
| H2 | C6 | C7 | H7 | 82.2° | 60.0° |
| H3 | C6 | C5 | H4 | 90.1° | 180.0° |
| H3 | C6 | C5 | H5 | 147.5° | 60.0° |
| H3 | C6 | C7 | H6 | 153.5° | 60.0° |
| H3 | C6 | C7 | H7 | 35.1° | 180.0° |
| H4 | C5 | C4 | H8 | 156.2° | 180.0° |
| H4 | C5 | C4 | H9 | 37.1° | 60.0° |
| H5 | C5 | C4 | H8 | 81.3° | 60.0° |
| H5 | C5 | C4 | H9 | 159.6° | 180.0° |
| H6 | C7 | C40 | H29 | 164.8° | 180.0° |
| H6 | C7 | C40 | H30 | 45.0° | 60.0° |
| H7 | C7 | C40 | H29 | 76.8° | 60.0° |
| H7 | C7 | C40 | H30 | 163.5° | 180.0° |
| H8 | C4 | C3 | H31 | 179.9° | 180.0° |
| H8 | C4 | C3 | H32 | 58.2° | 60.0° |
| H9 | C4 | C3 | H31 | 61.0° | 60.0° |
| H9 | C4 | C3 | H32 | 177.2° | NaN° |
| H10 | O2 | C25 | H51 | 63.3° | 180.0° |
| H11 | C2 | C3 | H31 | 177.6° | NaN° |
| H11 | C2 | C3 | H32 | 60.7° | 60.0° |
| H11 | C2 | C1 | H33 | 31.7° | 180.0° |
| H11 | C2 | C1 | H34 | 87.3° | 60.0° |
| H12 | C2 | C3 | H31 | 57.7° | 60.0° |
| H12 | C2 | C3 | H32 | 179.5° | 180.0° |
| H12 | C2 | C1 | H33 | 88.1° | 60.0° |
| H12 | C2 | C1 | H34 | 152.8° | 180.0° |
| H13 | N1 | C19 | H58 | 173.9° | 120.0° |
| H13 | N1 | C19 | H59 | 66.1° | 120.0° |
| H14 | C38 | H15 | C39 | 157.5° | 120.0° |
| H14 | C38 | C37 | H17 | 142.9° | 60.0° |
| H14 | C38 | C37 | H18 | 95.7° | 180.0° |
| H14 | C38 | C39 | H16 | 90.0° | 180.0° |
| H14 | C38 | C39 | H75 | 90.0° | 60.0° |
| H14 | C38 | C39 | H76 | 90.0° | 60.0° |
| H15 | C38 | C37 | H17 | 62.5° | 180.0° |
| H15 | C38 | C37 | H18 | 58.9° | 60.0° |
| H15 | C38 | C39 | H16 | 90.0° | 60.0° |
| H15 | C38 | C39 | H75 | 90.0° | 180.0° |
| H15 | C38 | C39 | H76 | 90.0° | 60.0° |
| H17 | C37 | C36 | H19 | 175.2° | 180.0° |
| H17 | C37 | C36 | H20 | 64.3° | 60.0° |
| H17 | C37 | C38 | C39 | 40.2° | 60.0° |
| H18 | C37 | C36 | H19 | 53.8° | 60.0° |
| H18 | C37 | C36 | H20 | 174.3° | 180.0° |
| H18 | C37 | C38 | C39 | 161.6° | 60.1° |
| H19 | C36 | C35 | H21 | 172.1° | 180.0° |
| H19 | C36 | C35 | H22 | 68.5° | 60.0° |
| H20 | C36 | C35 | H21 | 51.7° | 60.0° |
| H20 | C36 | C35 | H22 | 171.1° | 180.0° |
| H21 | C35 | C43 | H23 | 160.3° | 180.0° |
| H21 | C35 | C43 | H24 | 41.2° | 60.0° |
| H22 | C35 | C43 | H23 | 40.9° | 60.0° |
| H22 | C35 | C43 | H24 | 78.1° | 180.0° |
| H23 | C43 | C42 | H25 | 159.3° | 180.0° |
| H23 | C43 | C42 | H26 | 39.8° | 60.1° |
| H24 | C43 | C42 | H25 | 81.6° | 60.1° |
| H24 | C43 | C42 | H26 | 158.9° | 180.0° |
| H25 | C42 | C41 | H27 | 96.7° | 180.0° |
| H25 | C42 | C41 | H28 | 22.0° | 60.0° |
| H26 | C42 | C41 | H27 | 143.8° | 60.1° |
| H26 | C42 | C41 | H28 | 97.5° | 180.0° |
| H27 | C41 | C40 | H29 | 82.3° | 60.0° |
| H27 | C41 | C40 | H30 | 37.5° | 180.0° |
| H28 | C41 | C40 | H29 | 159.0° | 180.0° |
| H28 | C41 | C40 | H30 | 81.2° | 60.0° |
| H35 | N2 | C27 | H36 | 148.7° | 145.0° |
| H36 | C27 | C28 | H37 | 67.1° | 55.7° |
| H36 | C27 | C28 | H38 | 53.1° | 64.3° |
| H36 | C27 | C26 | H49 | 175.6° | 174.5° |
| H39 | C31 | C32 | H47 | 55.0° | 57.6° |
| H40 | C30 | C29 | H41 | 100.5° | 65.0° |
| H40 | C30 | C29 | H42 | 140.2° | 175.0° |
| H40 | C30 | C34 | H44 | 54.4° | 57.5° |
| H41 | C29 | O8 | H43 | 59.7° | 59.9° |
| H42 | C29 | O8 | H43 | 59.6° | 60.0° |
| H44 | C34 | O7 | H45 | 60.8° | 60.2° |
| H44 | C34 | C33 | H46 | 58.6° | 56.9° |
| H46 | C33 | C32 | H47 | 177.1° | 177.1° |
| H47 | C32 | O5 | H48 | 60.4° | 59.9° |
| H49 | C26 | O3 | H50 | 61.7° | 178.3° |
| H49 | C26 | C25 | H51 | 45.5° | 180.0° |
| H51 | C25 | C24 | H52 | 24.8° | 65.0° |
| H51 | C25 | C24 | H53 | 143.9° | 174.9° |
| H52 | C24 | C23 | H54 | 48.2° | 180.0° |
| H52 | C24 | C23 | H55 | 167.8° | 60.1° |
| H53 | C24 | C23 | H54 | 70.8° | 60.1° |
| H53 | C24 | C23 | H55 | 48.7° | 180.0° |
| H54 | C23 | C22 | H56 | 96.4° | 180.0° |
| H54 | C23 | C22 | H57 | 143.5° | 60.0° |
| H55 | C23 | C22 | H56 | 23.1° | 60.0° |
| H55 | C23 | C22 | H57 | 97.0° | 179.9° |
| H58 | C19 | C18 | H60 | 34.4° | 180.0° |
| H58 | C19 | C18 | H61 | 153.2° | 60.0° |
| H59 | C19 | C18 | H60 | 85.7° | 60.0° |
| H59 | C19 | C18 | H61 | 33.2° | 180.0° |
| H60 | C18 | C17 | H62 | 173.6° | 180.0° |
| H60 | C18 | C17 | H63 | 53.4° | 60.0° |
| H61 | C18 | C17 | H62 | 67.5° | 60.0° |
| H61 | C18 | C17 | H63 | 172.2° | 180.0° |
| H62 | C17 | C16 | H64 | 75.3° | 180.0° |
| H62 | C17 | C16 | H65 | 165.2° | 60.0° |
| H63 | C17 | C16 | H64 | 44.9° | 60.0° |
| H63 | C17 | C16 | H65 | 74.6° | 179.9° |
| H64 | C16 | C15 | H66 | 158.6° | 180.0° |
| H64 | C16 | C15 | H67 | 81.0° | 60.0° |
| H65 | C16 | C15 | H66 | 39.1° | 60.0° |
| H65 | C16 | C15 | H67 | 159.5° | NaN° |
| H66 | C15 | C14 | H68 | 174.9° | 180.0° |
| H66 | C15 | C14 | H69 | 57.8° | 60.0° |
| H67 | C15 | C14 | H68 | 64.6° | 60.0° |
| H67 | C15 | C14 | H69 | 178.2° | 180.0° |
| H70 | C12 | C11 | H71 | 0.6° | 0.0° |
| H71 | C11 | C10 | H72 | 0.5° | 0.0° |
| H72 | C10 | C9 | H73 | 0.1° | 0.1° |
| H73 | C9 | C8 | H74 | 0.2° | 0.1° |
| C38 | C39 | H16 | H75 | 90.0° | 120.0° |
| C38 | C39 | H16 | H76 | 90.0° | 120.0° |
| C38 | C39 | H75 | H76 | 90.0° | 120.0° |
| H16 | C39 | H75 | H76 | 90.0° | 120.0° |
