A1L1H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.50Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.51Å | 1.47Å | |
| C10 | C9 | doub | 1.31Å | 1.33Å | |
| C16 | C17 | sing | 1.53Å | 1.48Å | |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C17 | C18 | sing | 1.51Å | 1.50Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | C6 | sing | 1.53Å | 1.50Å | |
| C18 | O1 | doub | 1.21Å | 1.20Å | |
| C18 | O2 | sing | 1.34Å | 1.34Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| O2 | C19 | sing | 1.45Å | 1.45Å | |
| C19 | C20 | sing | 1.53Å | 1.48Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.50Å | |
| C43 | C42 | sing | 1.53Å | 1.51Å | |
| O8 | C26 | doub | 1.21Å | 1.20Å | |
| C20 | O7 | sing | 1.45Å | 1.46Å | |
| C20 | C21 | sing | 1.53Å | 1.46Å | |
| O4 | P1 | doub | 1.48Å | 1.50Å | |
| C26 | O7 | sing | 1.34Å | 1.34Å | |
| C26 | C27 | sing | 1.51Å | 1.50Å | |
| C2 | C1 | sing | 1.53Å | 1.49Å | |
| C28 | C27 | sing | 1.53Å | 1.50Å | |
| C28 | C29 | sing | 1.53Å | 1.48Å | |
| C21 | O3 | sing | 1.43Å | 1.42Å | |
| C42 | C41 | sing | 1.53Å | 1.51Å | |
| O3 | P1 | sing | 1.61Å | 1.61Å | |
| P1 | O5 | sing | 1.61Å | 1.50Å | |
| P1 | O6 | sing | 1.61Å | 1.59Å | |
| C29 | C30 | sing | 1.53Å | 1.51Å | |
| C41 | C40 | sing | 1.53Å | 1.52Å | |
| O6 | C22 | sing | 1.43Å | 1.44Å | |
| C30 | C31 | sing | 1.53Å | 1.51Å | |
| C40 | C39 | sing | 1.53Å | 1.51Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C23 | N1 | sing | 1.47Å | 1.49Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C39 | C38 | sing | 1.53Å | 1.51Å | |
| N1 | C24 | sing | 1.47Å | 1.46Å | |
| N1 | C25 | sing | 1.47Å | 1.47Å | |
| C38 | C37 | sing | 1.53Å | 1.50Å | |
| C33 | C32 | sing | 1.53Å | 1.51Å | |
| C33 | C34 | sing | 1.51Å | 1.47Å | |
| C34 | C35 | doub | 1.31Å | 1.31Å | |
| C37 | C36 | sing | 1.53Å | 1.51Å | |
| C35 | C36 | sing | 1.51Å | 1.47Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C1 | H26 | sing | 1.09Å | 1.10Å | |
| C1 | H27 | sing | 1.09Å | 1.10Å | |
| C1 | H28 | sing | 1.09Å | 1.10Å | |
| C2 | H29 | sing | 1.09Å | 1.10Å | |
| C2 | H30 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | H33 | sing | 1.09Å | 1.10Å | |
| C4 | H34 | sing | 1.09Å | 1.10Å | |
| C5 | H35 | sing | 1.09Å | 1.10Å | |
| C5 | H36 | sing | 1.09Å | 1.10Å | |
| C6 | H37 | sing | 1.09Å | 1.10Å | |
| C6 | H38 | sing | 1.09Å | 1.10Å | |
| C7 | H39 | sing | 1.09Å | 1.10Å | |
| C7 | H40 | sing | 1.09Å | 1.10Å | |
| C8 | H41 | sing | 1.09Å | 1.10Å | |
| C8 | H42 | sing | 1.09Å | 1.10Å | |
| C9 | H43 | sing | 1.08Å | 1.08Å | |
| C10 | H44 | sing | 1.08Å | 1.08Å | |
| C11 | H45 | sing | 1.09Å | 1.10Å | |
| C11 | H46 | sing | 1.09Å | 1.10Å | |
| C12 | H47 | sing | 1.09Å | 1.10Å | |
| C12 | H48 | sing | 1.09Å | 1.10Å | |
| C13 | H49 | sing | 1.09Å | 1.10Å | |
| C13 | H50 | sing | 1.09Å | 1.10Å | |
| C14 | H51 | sing | 1.09Å | 1.10Å | |
| C14 | H52 | sing | 1.09Å | 1.10Å | |
| O5 | H53 | sing | 0.97Å | 0.95Å | |
| C29 | H55 | sing | 1.09Å | 1.10Å | |
| C29 | H56 | sing | 1.09Å | 1.10Å | |
| C30 | H57 | sing | 1.09Å | 1.10Å | |
| C30 | H58 | sing | 1.09Å | 1.10Å | |
| C31 | H59 | sing | 1.09Å | 1.10Å | |
| C31 | H60 | sing | 1.09Å | 1.10Å | |
| C32 | H61 | sing | 1.09Å | 1.10Å | |
| C32 | H62 | sing | 1.09Å | 1.10Å | |
| C33 | H63 | sing | 1.09Å | 1.10Å | |
| C33 | H64 | sing | 1.09Å | 1.10Å | |
| C34 | H65 | sing | 1.08Å | 1.08Å | |
| C35 | H66 | sing | 1.08Å | 1.08Å | |
| C36 | H67 | sing | 1.09Å | 1.10Å | |
| C36 | H68 | sing | 1.09Å | 1.10Å | |
| C37 | H69 | sing | 1.09Å | 1.10Å | |
| C37 | H70 | sing | 1.09Å | 1.10Å | |
| C38 | H71 | sing | 1.09Å | 1.10Å | |
| C38 | H72 | sing | 1.09Å | 1.10Å | |
| C39 | H73 | sing | 1.09Å | 1.10Å | |
| C39 | H74 | sing | 1.09Å | 1.10Å | |
| C40 | H75 | sing | 1.09Å | 1.10Å | |
| C40 | H76 | sing | 1.09Å | 1.10Å | |
| C41 | H77 | sing | 1.09Å | 1.10Å | |
| C41 | H78 | sing | 1.09Å | 1.10Å | |
| C42 | H79 | sing | 1.09Å | 1.10Å | |
| C42 | H80 | sing | 1.09Å | 1.10Å | |
| C43 | H81 | sing | 1.09Å | 1.10Å | |
| C43 | H82 | sing | 1.09Å | 1.10Å | |
| C43 | H83 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | C11 | 111.3° | 109.5° |
| C12 | C13 | C14 | 113.2° | 109.5° |
| C13 | C12 | H47 | 109.0° | 109.5° |
| C13 | C12 | H48 | 109.0° | 109.5° |
| C12 | C13 | H49 | 108.5° | 109.5° |
| C12 | C13 | H50 | 108.5° | 109.4° |
| C12 | C11 | C10 | 113.6° | 109.5° |
| C12 | C11 | H45 | 108.4° | 109.5° |
| C12 | C11 | H46 | 108.4° | 109.5° |
| C11 | C12 | H47 | 109.0° | 109.5° |
| C11 | C12 | H48 | 109.0° | 109.4° |
| C13 | C14 | C15 | 111.8° | 109.5° |
| C14 | C13 | H49 | 108.5° | 109.5° |
| C14 | C13 | H50 | 108.6° | 109.5° |
| C13 | C14 | H51 | 108.9° | 109.4° |
| C13 | C14 | H52 | 108.9° | 109.5° |
| C14 | C15 | C16 | 116.3° | 109.5° |
| C14 | C15 | H1 | 107.7° | 109.4° |
| C14 | C15 | H2 | 107.7° | 109.5° |
| C15 | C14 | H51 | 108.9° | 109.5° |
| C15 | C14 | H52 | 108.9° | 109.5° |
| C15 | C16 | C17 | 113.8° | 109.5° |
| C16 | C15 | H1 | 107.8° | 109.5° |
| C16 | C15 | H2 | 107.8° | 109.5° |
| C15 | C16 | H3 | 108.4° | 109.5° |
| C15 | C16 | H4 | 108.4° | 109.5° |
| C11 | C10 | C9 | 128.9° | 120.0° |
| C11 | C10 | H44 | 115.5° | 120.0° |
| C10 | C11 | H45 | 108.4° | 109.4° |
| C10 | C11 | H46 | 108.4° | 109.5° |
| C10 | C9 | C8 | 132.7° | 120.0° |
| C10 | C9 | H43 | 113.7° | 120.0° |
| C9 | C10 | H44 | 115.6° | 120.0° |
| C16 | C17 | C18 | 111.0° | 109.5° |
| C17 | C16 | H3 | 108.4° | 109.5° |
| C17 | C16 | H4 | 108.4° | 109.5° |
| C16 | C17 | H5 | 109.1° | 109.5° |
| C16 | C17 | H6 | 109.1° | 109.5° |
| C9 | C8 | C7 | 113.4° | 109.5° |
| C9 | C8 | H41 | 108.5° | 109.5° |
| C9 | C8 | H42 | 108.5° | 109.5° |
| C8 | C9 | H43 | 113.7° | 120.0° |
| C17 | C18 | O1 | 124.1° | 120.0° |
| C17 | C18 | O2 | 112.7° | 120.0° |
| C18 | C17 | H5 | 109.1° | 109.4° |
| C18 | C17 | H6 | 109.1° | 109.4° |
| C8 | C7 | C6 | 113.6° | 109.5° |
| C8 | C7 | H39 | 108.4° | 109.5° |
| C8 | C7 | H40 | 108.4° | 109.5° |
| C7 | C8 | H41 | 108.5° | 109.5° |
| C7 | C8 | H42 | 108.5° | 109.5° |
| C7 | C6 | C5 | 113.8° | 109.5° |
| C7 | C6 | H37 | 108.4° | 109.5° |
| C7 | C6 | H38 | 108.4° | 109.5° |
| C6 | C7 | H39 | 108.4° | 109.5° |
| C6 | C7 | H40 | 108.4° | 109.5° |
| O1 | C18 | O2 | 123.1° | 120.0° |
| C18 | O2 | C19 | 116.1° | 117.0° |
| C6 | C5 | C4 | 112.1° | 109.5° |
| C6 | C5 | H35 | 108.8° | 109.5° |
| C6 | C5 | H36 | 108.8° | 109.5° |
| C5 | C6 | H37 | 108.4° | 109.5° |
| C5 | C6 | H38 | 108.4° | 109.5° |
| C5 | C4 | C3 | 112.9° | 109.5° |
| C5 | C4 | H33 | 108.6° | 109.5° |
| C5 | C4 | H34 | 108.6° | 109.5° |
| C4 | C5 | H35 | 108.8° | 109.5° |
| C4 | C5 | H36 | 108.8° | 109.5° |
| O2 | C19 | C20 | 113.1° | 109.5° |
| O2 | C19 | H7 | 108.6° | 109.5° |
| O2 | C19 | H8 | 108.5° | 109.5° |
| C19 | C20 | O7 | 108.8° | 109.5° |
| C19 | C20 | C21 | 111.0° | 109.4° |
| C20 | C19 | H7 | 108.5° | 109.5° |
| C20 | C19 | H8 | 108.6° | 109.5° |
| C19 | C20 | H9 | 109.5° | 109.5° |
| C4 | C3 | C2 | 114.3° | 109.5° |
| C4 | C3 | H31 | 108.3° | 109.5° |
| C4 | C3 | H32 | 108.3° | 109.5° |
| C3 | C4 | H33 | 108.6° | 109.5° |
| C3 | C4 | H34 | 108.6° | 109.5° |
| C3 | C2 | C1 | 112.3° | 109.5° |
| C3 | C2 | H29 | 108.8° | 109.5° |
| C3 | C2 | H30 | 108.8° | 109.5° |
| C2 | C3 | H31 | 108.2° | 109.5° |
| C2 | C3 | H32 | 108.3° | 109.5° |
| C43 | C42 | C41 | 111.6° | 109.5° |
| C43 | C42 | H79 | 109.0° | 109.5° |
| C43 | C42 | H80 | 108.9° | 109.4° |
| C42 | C43 | H81 | 109.5° | 109.4° |
| C42 | C43 | H82 | 109.5° | 109.4° |
| C42 | C43 | H83 | 109.5° | 109.5° |
| O8 | C26 | O7 | 124.8° | 120.0° |
| O8 | C26 | C27 | 125.8° | 120.0° |
| O7 | C20 | C21 | 108.1° | 109.5° |
| C20 | O7 | C26 | 117.4° | 117.0° |
| O7 | C20 | H9 | 109.8° | 109.5° |
| C20 | C21 | O3 | 113.6° | 109.5° |
| C21 | C20 | H9 | 109.6° | 109.5° |
| C20 | C21 | H10 | 108.4° | 109.5° |
| C20 | C21 | H11 | 108.4° | 109.5° |
| O4 | P1 | O3 | 107.2° | 109.5° |
| O4 | P1 | O5 | 116.2° | 109.5° |
| O4 | P1 | O6 | 111.7° | 109.5° |
| O7 | C26 | C27 | 109.3° | 120.0° |
| C26 | C27 | C28 | 110.3° | 109.5° |
| C26 | C27 | H22 | 109.3° | 109.4° |
| C26 | C27 | H23 | 109.3° | 109.4° |
| C2 | C1 | H26 | 109.5° | 109.5° |
| C2 | C1 | H27 | 109.5° | 109.5° |
| C2 | C1 | H28 | 109.5° | 109.5° |
| C1 | C2 | H29 | 108.8° | 109.5° |
| C1 | C2 | H30 | 108.8° | 109.5° |
| C27 | C28 | C29 | 109.5° | 109.5° |
| C28 | C27 | H22 | 109.2° | 109.5° |
| C28 | C27 | H23 | 109.2° | 109.5° |
| C27 | C28 | H24 | 109.5° | 109.5° |
| C27 | C28 | H25 | 109.5° | 109.5° |
| C28 | C29 | C30 | 110.3° | 109.5° |
| C29 | C28 | H24 | 109.5° | 109.5° |
| C29 | C28 | H25 | 109.4° | 109.4° |
| C28 | C29 | H55 | 109.3° | 109.5° |
| C28 | C29 | H56 | 109.3° | 109.4° |
| C21 | O3 | P1 | 119.5° | 123.0° |
| O3 | C21 | H10 | 108.4° | 109.5° |
| O3 | C21 | H11 | 108.4° | 109.4° |
| C42 | C41 | C40 | 110.1° | 109.5° |
| C42 | C41 | H77 | 109.3° | 109.5° |
| C42 | C41 | H78 | 109.3° | 109.5° |
| C41 | C42 | H79 | 108.9° | 109.5° |
| C41 | C42 | H80 | 108.9° | 109.5° |
| O3 | P1 | O5 | 107.3° | 109.5° |
| O3 | P1 | O6 | 104.1° | 109.5° |
| O5 | P1 | O6 | 109.5° | 109.5° |
| P1 | O5 | H53 | 109.5° | 114.0° |
| P1 | O6 | C22 | 124.6° | 123.0° |
| C29 | C30 | C31 | 112.3° | 109.5° |
| C30 | C29 | H55 | 109.3° | 109.5° |
| C30 | C29 | H56 | 109.2° | 109.5° |
| C29 | C30 | H57 | 108.8° | 109.5° |
| C29 | C30 | H58 | 108.8° | 109.5° |
| C41 | C40 | C39 | 113.0° | 109.5° |
| C41 | C40 | H75 | 108.6° | 109.4° |
| C41 | C40 | H76 | 108.6° | 109.4° |
| C40 | C41 | H77 | 109.3° | 109.4° |
| C40 | C41 | H78 | 109.3° | 109.4° |
| O6 | C22 | C23 | 110.5° | 109.4° |
| O6 | C22 | H12 | 109.2° | 109.5° |
| O6 | C22 | H13 | 109.2° | 109.4° |
| C30 | C31 | C32 | 112.7° | 109.5° |
| C31 | C30 | H57 | 108.8° | 109.5° |
| C31 | C30 | H58 | 108.8° | 109.4° |
| C30 | C31 | H59 | 108.7° | 109.5° |
| C30 | C31 | H60 | 108.6° | 109.5° |
| C40 | C39 | C38 | 112.4° | 109.5° |
| C40 | C39 | H73 | 108.8° | 109.5° |
| C40 | C39 | H74 | 108.7° | 109.5° |
| C39 | C40 | H75 | 108.6° | 109.5° |
| C39 | C40 | H76 | 108.6° | 109.5° |
| C22 | C23 | N1 | 111.4° | 109.5° |
| C23 | C22 | H12 | 109.2° | 109.5° |
| C23 | C22 | H13 | 109.2° | 109.5° |
| C22 | C23 | H14 | 109.0° | 109.5° |
| C22 | C23 | H15 | 109.0° | 109.4° |
| C23 | N1 | C24 | 112.1° | 111.0° |
| C23 | N1 | C25 | 107.8° | 111.0° |
| N1 | C23 | H14 | 109.0° | 109.5° |
| N1 | C23 | H15 | 109.0° | 109.5° |
| C31 | C32 | C33 | 108.7° | 109.5° |
| C32 | C31 | H59 | 108.7° | 109.5° |
| C32 | C31 | H60 | 108.7° | 109.5° |
| C31 | C32 | H61 | 109.7° | 109.5° |
| C31 | C32 | H62 | 109.7° | 109.4° |
| C39 | C38 | C37 | 113.3° | 109.5° |
| C39 | C38 | H71 | 108.5° | 109.5° |
| C39 | C38 | H72 | 108.5° | 109.4° |
| C38 | C39 | H73 | 108.7° | 109.5° |
| C38 | C39 | H74 | 108.7° | 109.4° |
| C24 | N1 | C25 | 109.5° | 111.0° |
| N1 | C24 | H16 | 109.5° | 109.4° |
| N1 | C24 | H17 | 109.5° | 109.5° |
| N1 | C24 | H18 | 109.5° | 109.5° |
| N1 | C25 | H19 | 109.5° | 109.5° |
| N1 | C25 | H20 | 109.5° | 109.5° |
| N1 | C25 | H21 | 109.4° | 109.5° |
| C38 | C37 | C36 | 109.6° | 109.5° |
| C38 | C37 | H69 | 109.4° | 109.5° |
| C38 | C37 | H70 | 109.4° | 109.5° |
| C37 | C38 | H71 | 108.5° | 109.5° |
| C37 | C38 | H72 | 108.5° | 109.5° |
| C32 | C33 | C34 | 107.2° | 109.5° |
| C33 | C32 | H61 | 109.7° | 109.5° |
| C33 | C32 | H62 | 109.7° | 109.5° |
| C32 | C33 | H63 | 110.0° | 109.5° |
| C32 | C33 | H64 | 110.0° | 109.4° |
| C33 | C34 | C35 | 124.4° | 120.0° |
| C34 | C33 | H63 | 110.0° | 109.5° |
| C34 | C33 | H64 | 110.1° | 109.5° |
| C33 | C34 | H65 | 117.8° | 120.0° |
| C34 | C35 | C36 | 125.8° | 120.0° |
| C35 | C34 | H65 | 117.8° | 120.0° |
| C34 | C35 | H66 | 117.1° | 120.0° |
| C37 | C36 | C35 | 109.9° | 109.5° |
| C37 | C36 | H67 | 109.4° | 109.5° |
| C37 | C36 | H68 | 109.4° | 109.4° |
| C36 | C37 | H69 | 109.4° | 109.5° |
| C36 | C37 | H70 | 109.4° | 109.4° |
| C36 | C35 | H66 | 117.1° | 120.0° |
| C35 | C36 | H67 | 109.3° | 109.5° |
| C35 | C36 | H68 | 109.3° | 109.5° |
| H1 | C15 | H2 | 109.5° | 109.5° |
| H3 | C16 | H4 | 109.4° | 109.4° |
| H5 | C17 | H6 | 109.5° | 109.5° |
| H7 | C19 | H8 | 109.5° | 109.5° |
| H10 | C21 | H11 | 109.5° | 109.4° |
| H12 | C22 | H13 | 109.5° | 109.5° |
| H14 | C23 | H15 | 109.4° | 109.5° |
| H16 | C24 | H17 | 109.4° | 109.5° |
| H16 | C24 | H18 | 109.5° | 109.5° |
| H17 | C24 | H18 | 109.5° | 109.5° |
| H19 | C25 | H20 | 109.4° | 109.5° |
| H19 | C25 | H21 | 109.5° | 109.4° |
| H20 | C25 | H21 | 109.5° | 109.5° |
| H22 | C27 | H23 | 109.5° | 109.5° |
| H24 | C28 | H25 | 109.5° | 109.4° |
| H26 | C1 | H27 | 109.4° | 109.4° |
| H26 | C1 | H28 | 109.5° | 109.5° |
| H27 | C1 | H28 | 109.5° | 109.4° |
| H29 | C2 | H30 | 109.5° | 109.4° |
| H31 | C3 | H32 | 109.5° | 109.4° |
| H33 | C4 | H34 | 109.5° | 109.4° |
| H35 | C5 | H36 | 109.5° | 109.4° |
| H37 | C6 | H38 | 109.5° | 109.4° |
| H39 | C7 | H40 | 109.5° | 109.5° |
| H41 | C8 | H42 | 109.5° | 109.4° |
| H45 | C11 | H46 | 109.5° | 109.5° |
| H47 | C12 | H48 | 109.5° | 109.5° |
| H49 | C13 | H50 | 109.5° | 109.5° |
| H51 | C14 | H52 | 109.5° | 109.5° |
| H55 | C29 | H56 | 109.5° | 109.4° |
| H57 | C30 | H58 | 109.5° | 109.5° |
| H59 | C31 | H60 | 109.5° | 109.4° |
| H61 | C32 | H62 | 109.4° | 109.5° |
| H63 | C33 | H64 | 109.5° | 109.5° |
| H67 | C36 | H68 | 109.5° | 109.5° |
| H69 | C37 | H70 | 109.4° | 109.5° |
| H71 | C38 | H72 | 109.5° | 109.5° |
| H73 | C39 | H74 | 109.5° | 109.5° |
| H75 | C40 | H76 | 109.4° | 109.5° |
| H77 | C41 | H78 | 109.5° | 109.5° |
| H79 | C42 | H80 | 109.5° | 109.5° |
| H81 | C43 | H82 | 109.5° | 109.5° |
| H81 | C43 | H83 | 109.4° | 109.5° |
| H82 | C43 | H83 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C11 | H47 | 120.3° | 120.1° |
| C13 | C12 | C11 | H48 | 120.3° | 120.0° |
| C12 | C13 | C14 | H49 | 120.5° | 120.0° |
| C12 | C13 | C14 | H50 | 120.6° | 119.9° |
| C12 | C13 | C14 | C15 | 173.3° | 180.0° |
| C13 | C12 | C11 | C10 | 68.5° | 180.0° |
| C13 | C12 | C11 | H45 | 170.9° | 60.0° |
| C13 | C12 | C11 | H46 | 52.1° | 60.0° |
| C13 | C12 | H47 | H48 | 119.2° | 120.0° |
| C12 | C13 | H49 | H50 | 118.3° | 119.9° |
| C12 | C13 | C14 | H51 | 66.4° | 60.0° |
| C12 | C13 | C14 | H52 | 52.9° | 59.9° |
| C11 | C12 | C13 | C14 | 75.7° | 180.0° |
| C12 | C11 | C10 | H45 | 120.6° | 120.0° |
| C12 | C11 | C10 | H46 | 120.6° | 120.0° |
| C12 | C11 | C10 | C9 | 124.8° | 126.3° |
| C12 | C11 | C10 | H44 | 55.2° | 53.7° |
| C12 | C11 | H45 | H46 | 118.1° | 120.0° |
| C11 | C12 | H47 | H48 | 119.2° | 119.9° |
| C11 | C12 | C13 | H49 | 163.7° | 60.0° |
| C11 | C12 | C13 | H50 | 44.8° | 60.0° |
| C13 | C14 | C15 | H51 | 120.3° | 119.9° |
| C13 | C14 | C15 | H52 | 120.4° | 120.0° |
| C13 | C14 | C15 | C16 | 177.2° | 180.0° |
| C13 | C14 | C15 | H1 | 61.8° | 60.0° |
| C13 | C14 | C15 | H2 | 56.2° | 60.0° |
| C14 | C13 | C12 | H47 | 164.0° | 60.0° |
| C14 | C13 | C12 | H48 | 44.5° | 60.1° |
| C14 | C13 | H49 | H50 | 118.3° | 120.0° |
| C13 | C14 | H51 | H52 | 118.9° | 120.0° |
| C14 | C15 | C16 | H1 | 121.0° | 119.9° |
| C14 | C15 | C16 | H2 | 121.0° | 120.0° |
| C14 | C15 | C16 | C17 | 62.7° | 180.0° |
| C14 | C15 | H1 | H2 | 116.9° | 120.0° |
| C14 | C15 | C16 | H3 | 57.9° | 59.9° |
| C14 | C15 | C16 | H4 | 176.6° | 60.0° |
| C15 | C14 | C13 | H49 | 52.8° | 60.0° |
| C15 | C14 | C13 | H50 | 66.1° | 60.1° |
| C15 | C14 | H51 | H52 | 118.9° | 120.0° |
| C15 | C16 | C17 | H3 | 120.7° | 120.0° |
| C15 | C16 | C17 | H4 | 120.7° | 120.0° |
| C15 | C16 | C17 | C18 | 175.6° | 180.0° |
| C16 | C15 | H1 | H2 | 116.9° | 120.1° |
| C15 | C16 | H3 | H4 | 118.1° | 120.0° |
| C15 | C16 | C17 | H5 | 64.2° | 60.0° |
| C15 | C16 | C17 | H6 | 55.4° | 60.1° |
| C16 | C15 | C14 | H51 | 56.8° | 60.1° |
| C16 | C15 | C14 | H52 | 62.5° | 60.0° |
| C11 | C10 | C9 | H44 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 3.8° | 7.6° |
| C11 | C10 | C9 | H43 | 176.2° | 172.4° |
| C10 | C11 | H45 | H46 | 118.1° | 119.9° |
| C10 | C11 | C12 | H47 | 51.8° | 59.9° |
| C10 | C11 | C12 | H48 | 171.3° | 60.0° |
| C10 | C9 | C8 | H43 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 85.7° | 127.6° |
| C10 | C9 | C8 | H41 | 153.8° | 7.6° |
| C10 | C9 | C8 | H42 | 34.9° | 112.4° |
| C9 | C10 | C11 | H45 | 114.5° | 113.7° |
| C9 | C10 | C11 | H46 | 4.2° | 6.3° |
| C16 | C17 | C18 | H5 | 120.2° | 120.0° |
| C16 | C17 | C18 | H6 | 120.2° | 120.0° |
| C16 | C17 | C18 | O1 | 60.0° | 0.0° |
| C16 | C17 | C18 | O2 | 117.2° | 180.0° |
| C17 | C16 | C15 | H1 | 176.3° | 60.1° |
| C17 | C16 | C15 | H2 | 58.2° | 60.0° |
| C17 | C16 | H3 | H4 | 118.0° | 120.0° |
| C16 | C17 | H5 | H6 | 119.3° | 120.1° |
| C9 | C8 | C7 | H41 | 120.6° | 120.0° |
| C9 | C8 | C7 | H42 | 120.6° | 120.0° |
| C9 | C8 | C7 | C6 | 102.4° | 180.0° |
| C9 | C8 | C7 | H39 | 137.0° | 60.0° |
| C9 | C8 | C7 | H40 | 18.3° | 60.0° |
| C9 | C8 | H41 | H42 | 118.2° | 120.0° |
| C8 | C9 | C10 | H44 | 176.3° | 172.5° |
| C17 | C18 | O1 | O2 | 176.9° | 180.0° |
| C17 | C18 | O2 | C19 | 172.2° | 180.0° |
| C18 | C17 | C16 | H3 | 54.9° | 60.0° |
| C18 | C17 | C16 | H4 | 63.7° | 60.0° |
| C18 | C17 | H5 | H6 | 119.3° | 120.0° |
| C8 | C7 | C6 | H39 | 120.6° | 120.0° |
| C8 | C7 | C6 | H40 | 120.6° | 120.0° |
| C8 | C7 | C6 | C5 | 174.9° | 180.0° |
| C8 | C7 | C6 | H37 | 64.5° | 60.0° |
| C8 | C7 | C6 | H38 | 54.3° | 60.0° |
| C8 | C7 | H39 | H40 | 118.1° | 120.0° |
| C7 | C8 | H41 | H42 | 118.2° | 120.0° |
| C7 | C8 | C9 | H43 | 94.4° | 52.4° |
| C7 | C6 | C5 | H37 | 120.6° | 120.0° |
| C7 | C6 | C5 | H38 | 120.6° | 120.0° |
| C7 | C6 | C5 | C4 | 97.9° | 180.0° |
| C7 | C6 | C5 | H35 | 22.5° | 60.0° |
| C7 | C6 | C5 | H36 | 141.7° | 60.0° |
| C7 | C6 | H37 | H38 | 118.0° | 120.0° |
| C6 | C7 | H39 | H40 | 118.1° | 120.0° |
| C6 | C7 | C8 | H41 | 18.2° | 60.0° |
| C6 | C7 | C8 | H42 | 137.1° | 60.0° |
| O1 | C18 | O2 | C19 | 10.6° | 0.0° |
| O1 | C18 | C17 | H5 | 60.2° | 120.0° |
| O1 | C18 | C17 | H6 | 179.8° | 119.9° |
| C18 | O2 | C19 | C20 | 82.0° | 180.0° |
| O2 | C18 | C17 | H5 | 122.6° | 60.0° |
| O2 | C18 | C17 | H6 | 3.0° | 60.0° |
| C18 | O2 | C19 | H7 | 157.4° | 60.0° |
| C18 | O2 | C19 | H8 | 38.5° | 60.0° |
| C6 | C5 | C4 | H35 | 120.4° | 120.0° |
| C6 | C5 | C4 | H36 | 120.4° | 120.0° |
| C6 | C5 | C4 | C3 | 123.2° | 180.0° |
| C6 | C5 | C4 | H33 | 2.6° | 60.0° |
| C6 | C5 | C4 | H34 | 116.3° | 60.0° |
| C6 | C5 | H35 | H36 | 118.8° | 120.0° |
| C5 | C6 | H37 | H38 | 118.0° | 120.0° |
| C5 | C6 | C7 | H39 | 54.3° | 60.0° |
| C5 | C6 | C7 | H40 | 64.5° | 60.0° |
| C5 | C4 | C3 | H33 | 120.5° | 120.0° |
| C5 | C4 | C3 | H34 | 120.5° | 120.0° |
| C5 | C4 | C3 | C2 | 161.6° | 180.0° |
| C5 | C4 | C3 | H31 | 40.9° | 60.0° |
| C5 | C4 | C3 | H32 | 77.7° | 60.0° |
| C5 | C4 | H33 | H34 | 118.4° | 120.0° |
| C4 | C5 | H35 | H36 | 118.8° | 120.0° |
| C4 | C5 | C6 | H37 | 141.4° | 60.0° |
| C4 | C5 | C6 | H38 | 22.7° | 60.0° |
| O2 | C19 | C20 | H7 | 120.5° | 120.0° |
| O2 | C19 | C20 | H8 | 120.5° | 120.0° |
| O2 | C19 | C20 | O7 | 59.9° | 65.0° |
| O2 | C19 | C20 | C21 | 178.7° | 55.1° |
| O2 | C19 | H7 | H8 | 118.3° | 120.0° |
| O2 | C19 | C20 | H9 | 60.1° | 175.0° |
| C19 | C20 | O7 | C21 | 120.7° | 120.0° |
| C19 | C20 | O7 | H9 | 119.8° | 120.0° |
| C19 | C20 | C21 | H9 | 121.1° | 120.0° |
| C19 | C20 | O7 | C26 | 93.6° | 150.0° |
| C19 | C20 | C21 | O3 | 56.4° | 55.0° |
| C20 | C19 | H7 | H8 | 118.4° | 120.0° |
| C19 | C20 | C21 | H10 | 64.2° | 65.0° |
| C19 | C20 | C21 | H11 | 177.0° | 175.0° |
| C4 | C3 | C2 | H31 | 120.7° | 120.0° |
| C4 | C3 | C2 | H32 | 120.7° | 120.0° |
| C4 | C3 | C2 | C1 | 126.4° | 180.0° |
| C4 | C3 | C2 | H29 | 6.0° | 60.0° |
| C4 | C3 | C2 | H30 | 113.2° | 60.0° |
| C4 | C3 | H31 | H32 | 117.8° | 120.0° |
| C3 | C4 | H33 | H34 | 118.4° | 120.0° |
| C3 | C4 | C5 | H35 | 116.4° | 60.0° |
| C3 | C4 | C5 | H36 | 2.7° | 60.0° |
| C3 | C2 | C1 | H29 | 120.4° | 120.0° |
| C3 | C2 | C1 | H30 | 120.4° | 120.0° |
| C3 | C2 | C1 | H26 | 180.0° | 180.0° |
| C3 | C2 | C1 | H27 | 60.0° | 60.0° |
| C3 | C2 | C1 | H28 | 60.0° | 60.0° |
| C3 | C2 | H29 | H30 | 118.7° | 120.0° |
| C2 | C3 | H31 | H32 | 117.8° | 120.0° |
| C2 | C3 | C4 | H33 | 77.9° | 59.9° |
| C2 | C3 | C4 | H34 | 41.1° | 60.0° |
| C43 | C42 | C41 | H79 | 120.3° | 120.0° |
| C43 | C42 | C41 | H80 | 120.3° | 120.0° |
| C43 | C42 | C41 | C40 | 103.5° | 180.0° |
| C43 | C42 | C41 | H77 | 136.4° | 60.0° |
| C43 | C42 | C41 | H78 | 16.6° | 60.0° |
| C43 | C42 | H79 | H80 | 119.0° | 119.9° |
| C42 | C43 | H81 | H82 | 120.0° | 120.0° |
| C42 | C43 | H81 | H83 | 120.0° | 120.0° |
| C42 | C43 | H82 | H83 | 120.0° | 120.0° |
| O8 | C26 | O7 | C20 | 1.0° | 0.0° |
| O8 | C26 | O7 | C27 | 177.1° | 180.0° |
| O8 | C26 | C27 | C28 | 1.5° | 0.0° |
| O8 | C26 | C27 | H22 | 121.6° | 120.0° |
| O8 | C26 | C27 | H23 | 118.6° | 120.0° |
| O7 | C20 | C21 | H9 | 119.6° | 120.0° |
| C20 | O7 | C26 | C27 | 178.2° | 180.0° |
| O7 | C20 | C21 | O3 | 62.9° | 65.0° |
| O7 | C20 | C19 | H7 | 60.7° | 55.0° |
| O7 | C20 | C19 | H8 | 179.6° | 175.0° |
| O7 | C20 | C21 | H10 | 176.5° | 175.0° |
| O7 | C20 | C21 | H11 | 57.8° | 55.0° |
| C21 | C20 | O7 | C26 | 145.8° | 90.0° |
| C20 | C21 | O3 | H10 | 120.6° | 120.1° |
| C20 | C21 | O3 | H11 | 120.6° | 120.0° |
| C20 | C21 | O3 | P1 | 153.8° | 180.0° |
| C21 | C20 | C19 | H7 | 58.2° | 175.0° |
| C21 | C20 | C19 | H8 | 60.7° | 65.0° |
| C20 | C21 | H10 | H11 | 118.1° | 120.0° |
| O4 | P1 | O3 | C21 | 53.2° | 55.0° |
| O4 | P1 | O3 | O5 | 125.5° | 120.0° |
| O4 | P1 | O3 | O6 | 118.4° | 120.0° |
| O4 | P1 | O5 | O6 | 127.7° | 120.0° |
| O4 | P1 | O6 | C22 | 4.8° | 55.0° |
| O4 | P1 | O5 | H53 | 0.0° | 180.0° |
| O7 | C26 | C27 | C28 | 175.6° | 180.0° |
| C26 | O7 | C20 | H9 | 26.2° | 30.0° |
| O7 | C26 | C27 | H22 | 55.5° | 60.0° |
| O7 | C26 | C27 | H23 | 64.3° | 60.0° |
| C26 | C27 | C28 | H22 | 120.1° | 119.9° |
| C26 | C27 | C28 | H23 | 120.1° | 120.0° |
| C26 | C27 | C28 | C29 | 77.2° | 180.0° |
| C26 | C27 | H22 | H23 | 119.6° | 120.0° |
| C26 | C27 | C28 | H24 | 42.8° | 60.0° |
| C26 | C27 | C28 | H25 | 162.8° | 60.0° |
| C2 | C1 | H26 | H27 | 120.0° | 120.0° |
| C2 | C1 | H26 | H28 | 120.0° | 120.0° |
| C2 | C1 | H27 | H28 | 120.0° | 120.0° |
| C1 | C2 | H29 | H30 | 118.7° | 120.0° |
| C1 | C2 | C3 | H31 | 112.9° | 60.0° |
| C1 | C2 | C3 | H32 | 5.7° | 60.0° |
| C27 | C28 | C29 | H24 | 120.0° | 120.0° |
| C27 | C28 | C29 | H25 | 120.0° | 120.0° |
| C27 | C28 | C29 | C30 | 81.8° | 180.0° |
| C28 | C27 | H22 | H23 | 119.6° | 120.1° |
| C27 | C28 | H24 | H25 | 120.0° | 120.0° |
| C27 | C28 | C29 | H55 | 38.3° | 60.0° |
| C27 | C28 | C29 | H56 | 158.1° | 60.0° |
| C28 | C29 | C30 | H55 | 120.1° | 120.1° |
| C28 | C29 | C30 | H56 | 120.1° | 120.0° |
| C28 | C29 | C30 | C31 | 148.6° | 180.0° |
| C29 | C28 | C27 | H22 | 162.7° | 60.0° |
| C29 | C28 | C27 | H23 | 42.9° | 60.0° |
| C29 | C28 | H24 | H25 | 120.0° | 120.0° |
| C28 | C29 | H55 | H56 | 119.6° | 120.0° |
| C28 | C29 | C30 | H57 | 91.0° | 60.0° |
| C28 | C29 | C30 | H58 | 28.1° | 60.1° |
| C21 | O3 | P1 | O5 | 178.7° | 65.0° |
| C21 | O3 | P1 | O6 | 65.2° | 175.0° |
| O3 | C21 | C20 | H9 | 177.5° | 175.0° |
| O3 | C21 | H10 | H11 | 118.1° | 119.9° |
| C42 | C41 | C40 | H77 | 120.1° | 120.0° |
| C42 | C41 | C40 | H78 | 120.1° | 120.0° |
| C42 | C41 | C40 | C39 | 129.8° | 180.0° |
| C42 | C41 | C40 | H75 | 109.6° | 60.0° |
| C42 | C41 | C40 | H76 | 9.3° | 60.0° |
| C42 | C41 | H77 | H78 | 119.7° | 120.0° |
| C41 | C42 | H79 | H80 | 119.0° | 120.0° |
| C41 | C42 | C43 | H81 | 180.0° | 60.0° |
| C41 | C42 | C43 | H82 | 60.0° | 180.0° |
| C41 | C42 | C43 | H83 | 60.0° | 60.0° |
| O3 | P1 | O5 | O6 | 112.4° | 120.0° |
| O3 | P1 | O6 | C22 | 120.1° | 175.0° |
| P1 | O3 | C21 | H10 | 33.2° | 60.0° |
| P1 | O3 | C21 | H11 | 85.5° | 60.0° |
| O3 | P1 | O5 | H53 | 119.9° | 60.0° |
| O5 | P1 | O6 | C22 | 125.4° | 65.0° |
| P1 | O6 | C22 | C23 | 122.8° | 180.0° |
| P1 | O6 | C22 | H12 | 117.0° | 60.0° |
| P1 | O6 | C22 | H13 | 2.7° | 60.0° |
| O6 | P1 | O5 | H53 | 127.7° | 60.0° |
| C29 | C30 | C31 | H57 | 120.4° | 120.0° |
| C29 | C30 | C31 | H58 | 120.5° | 120.0° |
| C29 | C30 | C31 | C32 | 138.9° | 180.0° |
| C30 | C29 | C28 | H24 | 158.2° | 59.9° |
| C30 | C29 | C28 | H25 | 38.2° | 60.0° |
| C30 | C29 | H55 | H56 | 119.6° | 120.0° |
| C29 | C30 | H57 | H58 | 118.8° | 120.0° |
| C29 | C30 | C31 | H59 | 100.6° | 60.0° |
| C29 | C30 | C31 | H60 | 18.4° | 60.0° |
| C41 | C40 | C39 | H75 | 120.5° | 120.0° |
| C41 | C40 | C39 | H76 | 120.5° | 120.0° |
| C41 | C40 | C39 | C38 | 95.5° | 180.0° |
| C41 | C40 | C39 | H73 | 144.1° | 60.0° |
| C41 | C40 | C39 | H74 | 24.9° | 60.0° |
| C41 | C40 | H75 | H76 | 118.4° | 119.9° |
| C40 | C41 | H77 | H78 | 119.7° | 119.9° |
| C40 | C41 | C42 | H79 | 16.9° | 60.0° |
| C40 | C41 | C42 | H80 | 136.2° | 60.0° |
| O6 | C22 | C23 | H12 | 120.2° | 120.0° |
| O6 | C22 | C23 | H13 | 120.2° | 119.9° |
| O6 | C22 | C23 | N1 | 52.1° | 65.0° |
| O6 | C22 | H12 | H13 | 119.5° | 120.0° |
| O6 | C22 | C23 | H14 | 172.4° | 175.0° |
| O6 | C22 | C23 | H15 | 68.2° | 55.0° |
| C30 | C31 | C32 | H59 | 120.5° | 120.1° |
| C30 | C31 | C32 | H60 | 120.5° | 120.0° |
| C30 | C31 | C32 | C33 | 112.8° | NaN° |
| C31 | C30 | C29 | H55 | 28.4° | 59.9° |
| C31 | C30 | C29 | H56 | 91.3° | 60.0° |
| C31 | C30 | H57 | H58 | 118.7° | 120.0° |
| C30 | C31 | H59 | H60 | 118.5° | 120.0° |
| C30 | C31 | C32 | H61 | 7.1° | 60.0° |
| C30 | C31 | C32 | H62 | 127.3° | 60.0° |
| C40 | C39 | C38 | H73 | 120.5° | 120.0° |
| C40 | C39 | C38 | H74 | 120.4° | 120.0° |
| C40 | C39 | C38 | C37 | 124.7° | 180.0° |
| C40 | C39 | C38 | H71 | 114.8° | 60.0° |
| C40 | C39 | C38 | H72 | 4.1° | 60.0° |
| C40 | C39 | H73 | H74 | 118.7° | 120.0° |
| C39 | C40 | H75 | H76 | 118.4° | 120.0° |
| C39 | C40 | C41 | H77 | 9.7° | 60.0° |
| C39 | C40 | C41 | H78 | 110.1° | 60.0° |
| C22 | C23 | N1 | H14 | 120.3° | 120.0° |
| C22 | C23 | N1 | H15 | 120.3° | 120.0° |
| C22 | C23 | N1 | C24 | 166.3° | 66.0° |
| C22 | C23 | N1 | C25 | 73.1° | 170.0° |
| C23 | C22 | H12 | H13 | 119.5° | 120.1° |
| C22 | C23 | H14 | H15 | 119.1° | 120.0° |
| C23 | N1 | C24 | C25 | 119.6° | 124.0° |
| N1 | C23 | C22 | H12 | 68.1° | 175.0° |
| N1 | C23 | C22 | H13 | 172.3° | 55.0° |
| N1 | C23 | H14 | H15 | 119.1° | 120.0° |
| C23 | N1 | C24 | H16 | 180.0° | 60.0° |
| C23 | N1 | C24 | H17 | 60.0° | 180.0° |
| C23 | N1 | C24 | H18 | 60.0° | 60.0° |
| C23 | N1 | C25 | H19 | 180.0° | 60.0° |
| C23 | N1 | C25 | H20 | 60.0° | 180.0° |
| C23 | N1 | C25 | H21 | 60.0° | 59.9° |
| C31 | C32 | C33 | H61 | 119.9° | 120.0° |
| C31 | C32 | C33 | H62 | 119.9° | 120.0° |
| C31 | C32 | C33 | C34 | 79.3° | 180.0° |
| C32 | C31 | C30 | H57 | 18.5° | 60.0° |
| C32 | C31 | C30 | H58 | 100.6° | 60.0° |
| C32 | C31 | H59 | H60 | 118.6° | 120.0° |
| C31 | C32 | H61 | H62 | 120.4° | 120.0° |
| C31 | C32 | C33 | H63 | 40.4° | 60.0° |
| C31 | C32 | C33 | H64 | 161.1° | 60.0° |
| C39 | C38 | C37 | H71 | 120.6° | 120.0° |
| C39 | C38 | C37 | H72 | 120.6° | 119.9° |
| C39 | C38 | C37 | C36 | 179.9° | 180.0° |
| C39 | C38 | C37 | H69 | 60.1° | 60.0° |
| C39 | C38 | C37 | H70 | 59.9° | 60.1° |
| C39 | C38 | H71 | H72 | 118.3° | 119.9° |
| C38 | C39 | H73 | H74 | 118.7° | 119.9° |
| C38 | C39 | C40 | H75 | 25.0° | 60.0° |
| C38 | C39 | C40 | H76 | 143.9° | 60.0° |
| C24 | N1 | C23 | H14 | 73.4° | 54.0° |
| C24 | N1 | C23 | H15 | 46.0° | 174.0° |
| N1 | C24 | H16 | H17 | 120.0° | 120.0° |
| N1 | C24 | H16 | H18 | 120.0° | 119.9° |
| N1 | C24 | H17 | H18 | 120.0° | 120.0° |
| C24 | N1 | C25 | H19 | 57.8° | 176.1° |
| C24 | N1 | C25 | H20 | 177.8° | 56.0° |
| C24 | N1 | C25 | H21 | 62.2° | 64.0° |
| C25 | N1 | C23 | H14 | 47.2° | 70.0° |
| C25 | N1 | C23 | H15 | 166.6° | 50.0° |
| C25 | N1 | C24 | H16 | 60.4° | 64.0° |
| C25 | N1 | C24 | H17 | 59.6° | 56.0° |
| C25 | N1 | C24 | H18 | 179.6° | 176.0° |
| N1 | C25 | H19 | H20 | 120.0° | 120.1° |
| N1 | C25 | H19 | H21 | 120.0° | 120.0° |
| N1 | C25 | H20 | H21 | 120.0° | 120.1° |
| C38 | C37 | C36 | H69 | 120.0° | 120.1° |
| C38 | C37 | C36 | H70 | 120.0° | 120.0° |
| C38 | C37 | C36 | C35 | 93.6° | 180.0° |
| C38 | C37 | C36 | H67 | 146.4° | 59.9° |
| C38 | C37 | C36 | H68 | 26.5° | 60.0° |
| C38 | C37 | H69 | H70 | 119.9° | 120.0° |
| C37 | C38 | H71 | H72 | 118.2° | 120.0° |
| C37 | C38 | C39 | H73 | 4.2° | 59.9° |
| C37 | C38 | C39 | H74 | 114.9° | 60.0° |
| C32 | C33 | C34 | H63 | 119.6° | 120.0° |
| C32 | C33 | C34 | H64 | 119.6° | 119.9° |
| C32 | C33 | C34 | C35 | 133.4° | 127.7° |
| C33 | C32 | C31 | H59 | 126.7° | 59.9° |
| C33 | C32 | C31 | H60 | 7.6° | 60.0° |
| C33 | C32 | H61 | H62 | 120.3° | 120.0° |
| C32 | C33 | H63 | H64 | 121.1° | 120.0° |
| C32 | C33 | C34 | H65 | 46.7° | 52.4° |
| C33 | C34 | C35 | H65 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 6.8° | 7.5° |
| C34 | C33 | C32 | H61 | 160.8° | 60.0° |
| C34 | C33 | C32 | H62 | 40.7° | 60.0° |
| C34 | C33 | H63 | H64 | 121.1° | 120.0° |
| C33 | C34 | C35 | H66 | 173.2° | 172.5° |
| C34 | C35 | C36 | C37 | 104.8° | 126.3° |
| C34 | C35 | C36 | H66 | 180.0° | 180.0° |
| C35 | C34 | C33 | H63 | 107.0° | 7.6° |
| C35 | C34 | C33 | H64 | 13.7° | 112.4° |
| C34 | C35 | C36 | H67 | 135.1° | 113.7° |
| C34 | C35 | C36 | H68 | 15.3° | 6.4° |
| C37 | C36 | C35 | H67 | 120.1° | 120.0° |
| C37 | C36 | C35 | H68 | 120.1° | 120.0° |
| C37 | C36 | C35 | H66 | 75.2° | 53.7° |
| C37 | C36 | H67 | H68 | 119.8° | 119.9° |
| C36 | C37 | H69 | H70 | 119.9° | 120.0° |
| C36 | C37 | C38 | H71 | 59.3° | 60.0° |
| C36 | C37 | C38 | H72 | 59.5° | 60.1° |
| C36 | C35 | C34 | H65 | 173.2° | 172.5° |
| C35 | C36 | H67 | H68 | 119.8° | 120.0° |
| C35 | C36 | C37 | H69 | 26.5° | 60.0° |
| C35 | C36 | C37 | H70 | 146.4° | 60.0° |
| H1 | C15 | C16 | H3 | 63.1° | 60.0° |
| H1 | C15 | C16 | H4 | 55.6° | 179.9° |
| H1 | C15 | C14 | H51 | 177.8° | 180.0° |
| H1 | C15 | C14 | H52 | 58.5° | 60.0° |
| H2 | C15 | C16 | H3 | 178.9° | 179.9° |
| H2 | C15 | C16 | H4 | 62.4° | 60.0° |
| H2 | C15 | C14 | H51 | 64.1° | 60.0° |
| H2 | C15 | C14 | H52 | 176.6° | 180.0° |
| H3 | C16 | C17 | H5 | 175.2° | 180.0° |
| H3 | C16 | C17 | H6 | 65.3° | 60.0° |
| H4 | C16 | C17 | H5 | 56.5° | 60.0° |
| H4 | C16 | C17 | H6 | 176.1° | 179.9° |
| H7 | C19 | C20 | H9 | 179.4° | 65.0° |
| H8 | C19 | C20 | H9 | 60.4° | 55.0° |
| H9 | C20 | C21 | H10 | 56.9° | 55.0° |
| H9 | C20 | C21 | H11 | 61.9° | 65.0° |
| H12 | C22 | C23 | H14 | 52.2° | 55.0° |
| H12 | C22 | C23 | H15 | 171.6° | 65.0° |
| H13 | C22 | C23 | H14 | 67.4° | 65.0° |
| H13 | C22 | C23 | H15 | 52.0° | 175.0° |
| H16 | C24 | H17 | H18 | 120.0° | 120.1° |
| H19 | C25 | H20 | H21 | 120.0° | 119.9° |
| H22 | C27 | C28 | H24 | 77.4° | 179.9° |
| H22 | C27 | C28 | H25 | 42.7° | 60.0° |
| H23 | C27 | C28 | H24 | 162.9° | 60.0° |
| H23 | C27 | C28 | H25 | 77.0° | 180.0° |
| H24 | C28 | C29 | H55 | 81.7° | 180.0° |
| H24 | C28 | C29 | H56 | 38.1° | 60.0° |
| H25 | C28 | C29 | H55 | 158.3° | 60.1° |
| H25 | C28 | C29 | H56 | 81.9° | 180.0° |
| H26 | C1 | H27 | H28 | 120.0° | 120.0° |
| H26 | C1 | C2 | H29 | 59.6° | 60.0° |
| H26 | C1 | C2 | H30 | 59.6° | 60.0° |
| H27 | C1 | C2 | H29 | 179.6° | 60.0° |
| H27 | C1 | C2 | H30 | 60.4° | 180.0° |
| H28 | C1 | C2 | H29 | 60.4° | 180.0° |
| H28 | C1 | C2 | H30 | 179.6° | 60.0° |
| H29 | C2 | C3 | H31 | 126.7° | 180.0° |
| H29 | C2 | C3 | H32 | 114.7° | 60.0° |
| H30 | C2 | C3 | H31 | 7.6° | 60.0° |
| H30 | C2 | C3 | H32 | 126.1° | NaN° |
| H31 | C3 | C4 | H33 | 161.4° | 180.0° |
| H31 | C3 | C4 | H34 | 79.6° | 60.0° |
| H32 | C3 | C4 | H33 | 42.8° | 60.0° |
| H32 | C3 | C4 | H34 | 161.8° | 180.0° |
| H33 | C4 | C5 | H35 | 123.1° | 180.0° |
| H33 | C4 | C5 | H36 | 117.8° | 60.0° |
| H34 | C4 | C5 | H35 | 4.1° | 60.0° |
| H34 | C4 | C5 | H36 | 123.3° | 180.0° |
| H35 | C5 | C6 | H37 | 98.2° | 180.0° |
| H35 | C5 | C6 | H38 | 143.1° | 60.0° |
| H36 | C5 | C6 | H37 | 21.0° | 60.0° |
| H36 | C5 | C6 | H38 | 97.7° | NaN° |
| H37 | C6 | C7 | H39 | 174.9° | 180.0° |
| H37 | C6 | C7 | H40 | 56.1° | 60.0° |
| H38 | C6 | C7 | H39 | 66.4° | 60.0° |
| H38 | C6 | C7 | H40 | 174.9° | 180.0° |
| H39 | C7 | C8 | H41 | 102.4° | NaN° |
| H39 | C7 | C8 | H42 | 16.4° | 60.0° |
| H40 | C7 | C8 | H41 | 138.8° | 60.0° |
| H40 | C7 | C8 | H42 | 102.3° | 180.0° |
| H41 | C8 | C9 | H43 | 26.2° | 172.4° |
| H42 | C8 | C9 | H43 | 145.1° | 67.6° |
| H43 | C9 | C10 | H44 | 3.8° | 7.6° |
| H44 | C10 | C11 | H45 | 65.4° | 66.4° |
| H44 | C10 | C11 | H46 | 175.8° | 173.7° |
| H45 | C11 | C12 | H47 | 68.8° | 179.9° |
| H45 | C11 | C12 | H48 | 50.6° | 60.0° |
| H46 | C11 | C12 | H47 | 172.4° | 60.1° |
| H46 | C11 | C12 | H48 | 68.1° | 180.0° |
| H47 | C12 | C13 | H49 | 43.5° | 180.0° |
| H47 | C12 | C13 | H50 | 75.4° | 60.0° |
| H48 | C12 | C13 | H49 | 76.0° | 60.0° |
| H48 | C12 | C13 | H50 | 165.1° | 180.0° |
| H49 | C13 | C14 | H51 | 173.1° | 60.0° |
| H49 | C13 | C14 | H52 | 67.6° | 179.9° |
| H50 | C13 | C14 | H51 | 54.2° | 180.0° |
| H50 | C13 | C14 | H52 | 173.5° | 60.0° |
| H55 | C29 | C30 | H57 | 148.9° | 180.0° |
| H55 | C29 | C30 | H58 | 92.0° | 60.0° |
| H56 | C29 | C30 | H57 | 29.1° | 60.0° |
| H56 | C29 | C30 | H58 | 148.3° | 180.0° |
| H57 | C30 | C31 | H59 | 139.0° | 180.0° |
| H57 | C30 | C31 | H60 | 102.0° | 60.0° |
| H58 | C30 | C31 | H59 | 19.9° | 60.0° |
| H58 | C30 | C31 | H60 | 138.9° | 180.0° |
| H59 | C31 | C32 | H61 | 113.4° | 180.0° |
| H59 | C31 | C32 | H62 | 6.8° | 60.1° |
| H60 | C31 | C32 | H61 | 127.5° | 60.0° |
| H60 | C31 | C32 | H62 | 112.3° | 180.0° |
| H61 | C32 | C33 | H63 | 79.5° | 180.0° |
| H61 | C32 | C33 | H64 | 41.2° | 60.0° |
| H62 | C32 | C33 | H63 | 160.3° | 60.0° |
| H62 | C32 | C33 | H64 | 79.0° | 180.0° |
| H63 | C33 | C34 | H65 | 73.0° | 172.4° |
| H64 | C33 | C34 | H65 | 166.3° | 67.6° |
| H65 | C34 | C35 | H66 | 6.8° | 7.6° |
| H66 | C35 | C36 | H67 | 44.9° | 66.3° |
| H66 | C35 | C36 | H68 | 164.7° | 173.7° |
| H67 | C36 | C37 | H69 | 93.6° | 180.0° |
| H67 | C36 | C37 | H70 | 26.3° | 60.0° |
| H68 | C36 | C37 | H69 | 146.5° | 60.0° |
| H68 | C36 | C37 | H70 | 93.5° | 180.0° |
| H69 | C37 | C38 | H71 | 179.3° | 180.0° |
| H69 | C37 | C38 | H72 | 60.5° | 60.0° |
| H70 | C37 | C38 | H71 | 60.7° | 60.0° |
| H70 | C37 | C38 | H72 | 179.6° | NaN° |
| H71 | C38 | C39 | H73 | 124.8° | 180.0° |
| H71 | C38 | C39 | H74 | 5.7° | 60.0° |
| H72 | C38 | C39 | H73 | 116.4° | 60.0° |
| H72 | C38 | C39 | H74 | 124.5° | 180.0° |
| H73 | C39 | C40 | H75 | 95.4° | 180.0° |
| H73 | C39 | C40 | H76 | 23.5° | 60.0° |
| H74 | C39 | C40 | H75 | 145.5° | 60.0° |
| H74 | C39 | C40 | H76 | 95.6° | 180.0° |
| H75 | C40 | C41 | H77 | 130.3° | 180.0° |
| H75 | C40 | C41 | H78 | 10.4° | 60.1° |
| H76 | C40 | C41 | H77 | 110.8° | 60.1° |
| H76 | C40 | C41 | H78 | 129.3° | 180.0° |
| H77 | C41 | C42 | H79 | 103.2° | NaN° |
| H77 | C41 | C42 | H80 | 16.1° | 60.0° |
| H78 | C41 | C42 | H79 | 137.0° | 60.0° |
| H78 | C41 | C42 | H80 | 103.7° | 180.0° |
| H79 | C42 | C43 | H81 | 59.7° | 60.0° |
| H79 | C42 | C43 | H82 | 60.3° | 60.0° |
| H79 | C42 | C43 | H83 | 179.7° | 180.0° |
| H80 | C42 | C43 | H81 | 59.7° | 180.0° |
| H80 | C42 | C43 | H82 | 179.7° | 60.0° |
| H80 | C42 | C43 | H83 | 60.3° | 60.0° |
| H81 | C43 | H82 | H83 | 119.9° | 120.0° |
