A4I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C58 | C30 | sing | 1.52Å | 1.54Å | |
| C63 | O23 | sing | 1.43Å | 1.43Å | |
| C57 | C24 | sing | 1.51Å | 1.39Å | |
| C30 | C29 | sing | 1.50Å | 1.39Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C59 | C32 | sing | 1.53Å | 1.52Å | |
| C28 | C29 | doub | 1.33Å | 1.39Å | |
| C28 | C27 | sing | 1.47Å | 1.39Å | |
| O23 | C22 | sing | 1.43Å | 1.43Å | |
| C26 | C27 | doub | 1.35Å | 1.39Å | |
| C26 | C25 | sing | 1.46Å | 1.39Å | |
| C24 | C25 | doub | 1.33Å | 1.39Å | |
| C24 | C22 | sing | 1.52Å | 1.40Å | |
| C31 | C32 | sing | 1.52Å | 1.53Å | |
| C61 | C41 | sing | 1.53Å | 1.53Å | |
| C32 | C33 | sing | 1.51Å | 1.39Å | |
| C22 | C21 | sing | 1.53Å | 1.55Å | |
| O34 | C33 | doub | 1.21Å | 1.23Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C07 | C06 | sing | 1.52Å | 1.51Å | |
| C33 | C35 | sing | 1.51Å | 1.39Å | |
| C21 | C20 | sing | 1.53Å | 1.55Å | |
| O13 | C12 | doub | 1.21Å | 1.23Å | |
| C41 | C40 | sing | 1.50Å | 1.40Å | |
| C41 | C42 | sing | 1.51Å | 1.41Å | |
| C08 | N09 | sing | 1.48Å | 1.48Å | |
| C20 | O15 | sing | 1.44Å | 1.48Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| O15 | C14 | sing | 1.43Å | 1.43Å | |
| C40 | C39 | doub | 1.30Å | 1.39Å | |
| O43 | C42 | doub | 1.21Å | 1.23Å | |
| C42 | C44 | sing | 1.50Å | 1.40Å | |
| C06 | C05 | sing | 1.52Å | 1.50Å | |
| C12 | C14 | sing | 1.50Å | 1.39Å | |
| C12 | C10 | sing | 1.49Å | 1.40Å | |
| C35 | C37 | sing | 1.53Å | 1.53Å | |
| C35 | O36 | sing | 1.43Å | 1.43Å | |
| C39 | C60 | sing | 1.51Å | 1.39Å | |
| C39 | C37 | sing | 1.51Å | 1.39Å | |
| N09 | C10 | sing | 1.35Å | 1.35Å | |
| N09 | C04 | sing | 1.47Å | 1.47Å | |
| C14 | O16 | sing | 1.43Å | 1.42Å | |
| C14 | C17 | sing | 1.53Å | 1.52Å | |
| C44 | C45 | sing | 1.53Å | 1.55Å | |
| C37 | O38 | sing | 1.43Å | 1.43Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| O36 | C64 | sing | 1.43Å | 1.42Å | |
| C10 | O11 | doub | 1.21Å | 1.23Å | |
| C05 | C04 | sing | 1.53Å | 1.52Å | |
| O02 | C01 | sing | 1.35Å | 1.37Å | |
| O02 | C45 | sing | 1.45Å | 1.47Å | |
| C04 | C01 | sing | 1.51Å | 1.41Å | |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C01 | O03 | doub | 1.21Å | 1.23Å | |
| C17 | C56 | sing | 1.53Å | 1.53Å | |
| C45 | C46 | sing | 1.53Å | 1.54Å | |
| C46 | C62 | sing | 1.53Å | 1.53Å | |
| C46 | C47 | sing | 1.53Å | 1.54Å | |
| C47 | C48 | sing | 1.53Å | 1.54Å | |
| C49 | C48 | sing | 1.53Å | 1.52Å | |
| C49 | C50 | sing | 1.53Å | 1.53Å | |
| C65 | O51 | sing | 1.43Å | 1.43Å | |
| C48 | C55 | sing | 1.53Å | 1.51Å | |
| O51 | C50 | sing | 1.43Å | 1.44Å | |
| C50 | C52 | sing | 1.53Å | 1.51Å | |
| C55 | C54 | sing | 1.53Å | 1.51Å | |
| C52 | C54 | sing | 1.53Å | 1.52Å | |
| C52 | O53 | sing | 1.45Å | 1.43Å | |
| O67 | C66 | doub | 1.21Å | 1.23Å | |
| O53 | C66 | sing | 1.34Å | 1.36Å | |
| C66 | C68 | sing | 1.51Å | 1.53Å | |
| C71 | C68 | sing | 1.53Å | 1.53Å | |
| O72 | C69 | sing | 1.43Å | 1.42Å | |
| C68 | C69 | sing | 1.53Å | 1.52Å | |
| C68 | C70 | sing | 1.53Å | 1.53Å | |
| C70 | O73 | sing | 1.43Å | 1.43Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.07Å | 1.08Å | |
| C28 | H7 | sing | 1.07Å | 1.08Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| O16 | H17 | sing | 0.97Å | 0.95Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | H23 | sing | 1.08Å | 1.08Å | |
| C29 | H24 | sing | 1.09Å | 1.08Å | |
| C30 | H25 | sing | 1.10Å | 1.10Å | |
| C31 | H26 | sing | 1.10Å | 1.10Å | |
| C31 | H27 | sing | 1.10Å | 1.10Å | |
| C32 | H28 | sing | 1.08Å | 1.10Å | |
| C35 | H29 | sing | 1.09Å | 1.10Å | |
| C37 | H30 | sing | 1.09Å | 1.10Å | |
| O38 | H31 | sing | 0.97Å | 0.95Å | |
| C40 | H32 | sing | 1.09Å | 1.08Å | |
| C41 | H33 | sing | 1.09Å | 1.10Å | |
| C44 | H34 | sing | 1.09Å | 1.10Å | |
| C44 | H35 | sing | 1.09Å | 1.10Å | |
| C45 | H36 | sing | 1.09Å | 1.10Å | |
| C46 | H37 | sing | 1.09Å | 1.10Å | |
| C47 | H38 | sing | 1.09Å | 1.10Å | |
| C47 | H39 | sing | 1.09Å | 1.10Å | |
| C48 | H40 | sing | 1.09Å | 1.10Å | |
| C49 | H41 | sing | 1.09Å | 1.10Å | |
| C49 | H42 | sing | 1.09Å | 1.10Å | |
| C50 | H43 | sing | 1.09Å | 1.10Å | |
| C52 | H44 | sing | 1.09Å | 1.10Å | |
| C54 | H45 | sing | 1.09Å | 1.10Å | |
| C54 | H46 | sing | 1.09Å | 1.10Å | |
| C55 | H47 | sing | 1.09Å | 1.10Å | |
| C55 | H48 | sing | 1.09Å | 1.10Å | |
| C56 | H49 | sing | 1.09Å | 1.10Å | |
| C56 | H50 | sing | 1.09Å | 1.10Å | |
| C56 | H51 | sing | 1.09Å | 1.10Å | |
| C57 | H52 | sing | 1.09Å | 1.10Å | |
| C57 | H53 | sing | 1.09Å | 1.10Å | |
| C57 | H54 | sing | 1.09Å | 1.10Å | |
| C58 | H55 | sing | 1.09Å | 1.10Å | |
| C58 | H56 | sing | 1.09Å | 1.10Å | |
| C58 | H57 | sing | 1.09Å | 1.10Å | |
| C59 | H58 | sing | 1.09Å | 1.10Å | |
| C59 | H59 | sing | 1.09Å | 1.10Å | |
| C59 | H60 | sing | 1.09Å | 1.10Å | |
| C60 | H61 | sing | 1.09Å | 1.10Å | |
| C60 | H62 | sing | 1.09Å | 1.10Å | |
| C60 | H63 | sing | 1.09Å | 1.10Å | |
| C61 | H64 | sing | 1.09Å | 1.10Å | |
| C61 | H65 | sing | 1.09Å | 1.10Å | |
| C61 | H66 | sing | 1.09Å | 1.10Å | |
| C62 | H67 | sing | 1.09Å | 1.10Å | |
| C62 | H68 | sing | 1.09Å | 1.10Å | |
| C62 | H69 | sing | 1.09Å | 1.10Å | |
| C63 | H70 | sing | 1.09Å | 1.10Å | |
| C63 | H71 | sing | 1.09Å | 1.10Å | |
| C63 | H72 | sing | 1.09Å | 1.10Å | |
| C64 | H73 | sing | 1.09Å | 1.10Å | |
| C64 | H74 | sing | 1.09Å | 1.10Å | |
| C64 | H75 | sing | 1.09Å | 1.10Å | |
| C65 | H76 | sing | 1.09Å | 1.10Å | |
| C65 | H77 | sing | 1.09Å | 1.10Å | |
| C65 | H78 | sing | 1.09Å | 1.10Å | |
| C69 | H79 | sing | 1.09Å | 1.10Å | |
| C69 | H80 | sing | 1.09Å | 1.10Å | |
| C70 | H81 | sing | 1.09Å | 1.10Å | |
| C70 | H82 | sing | 1.09Å | 1.10Å | |
| C71 | H83 | sing | 1.09Å | 1.10Å | |
| C71 | H84 | sing | 1.09Å | 1.10Å | |
| C71 | H85 | sing | 1.09Å | 1.10Å | |
| O72 | H86 | sing | 0.97Å | 0.95Å | |
| O73 | H87 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C58 | C30 | C29 | 110.7° | 111.5° |
| C58 | C30 | C31 | 108.3° | 111.0° |
| C58 | C30 | H25 | 108.9° | 107.9° |
| C30 | C58 | H55 | 109.5° | 109.5° |
| C30 | C58 | H56 | 109.5° | 109.5° |
| C30 | C58 | H57 | 109.5° | 109.5° |
| C63 | O23 | C22 | 110.1° | 114.0° |
| O23 | C63 | H70 | 109.5° | 109.5° |
| O23 | C63 | H71 | 109.4° | 109.6° |
| O23 | C63 | H72 | 109.5° | 109.5° |
| C57 | C24 | C25 | 118.6° | 120.9° |
| C57 | C24 | C22 | 120.6° | 118.6° |
| C24 | C57 | H52 | 109.5° | 109.5° |
| C24 | C57 | H53 | 109.5° | 109.4° |
| C24 | C57 | H54 | 109.5° | 109.4° |
| C29 | C30 | C31 | 109.0° | 110.5° |
| C30 | C29 | C28 | 120.3° | 123.8° |
| C30 | C29 | H24 | 119.8° | 118.4° |
| C29 | C30 | H25 | 111.0° | 108.1° |
| C30 | C31 | C32 | 111.7° | 114.0° |
| C31 | C30 | H25 | 108.9° | 107.7° |
| C30 | C31 | H26 | 108.9° | 108.7° |
| C30 | C31 | H27 | 108.9° | 108.6° |
| C59 | C32 | C31 | 109.2° | 110.5° |
| C59 | C32 | C33 | 109.2° | 108.2° |
| C59 | C32 | H28 | 108.7° | 109.3° |
| C32 | C59 | H58 | 109.5° | 109.5° |
| C32 | C59 | H59 | 109.5° | 109.5° |
| C32 | C59 | H60 | 109.5° | 109.5° |
| C29 | C28 | C27 | 122.8° | 117.7° |
| C29 | C28 | H7 | 118.6° | 122.8° |
| C28 | C29 | H24 | 119.9° | 117.7° |
| C28 | C27 | C26 | 119.5° | 121.1° |
| C27 | C28 | H7 | 118.6° | 119.5° |
| C28 | C27 | H23 | 120.2° | 119.5° |
| O23 | C22 | C24 | 109.8° | 109.7° |
| O23 | C22 | C21 | 108.6° | 110.5° |
| O23 | C22 | H5 | 109.0° | 109.7° |
| C27 | C26 | C25 | 121.8° | 118.9° |
| C27 | C26 | H6 | 119.1° | 118.9° |
| C26 | C27 | H23 | 120.2° | 119.4° |
| C26 | C25 | C24 | 120.3° | 122.2° |
| C25 | C26 | H6 | 119.1° | 122.2° |
| C26 | C25 | H22 | 119.8° | 118.4° |
| C25 | C24 | C22 | 120.8° | 120.5° |
| C24 | C25 | H22 | 119.9° | 119.4° |
| C24 | C22 | C21 | 112.6° | 108.2° |
| C24 | C22 | H5 | 109.4° | 109.2° |
| C31 | C32 | C33 | 110.5° | 108.9° |
| C32 | C31 | H26 | 108.9° | 109.0° |
| C32 | C31 | H27 | 108.9° | 108.7° |
| C31 | C32 | H28 | 108.6° | 111.5° |
| C61 | C41 | C40 | 109.1° | 109.3° |
| C61 | C41 | C42 | 109.6° | 109.4° |
| C61 | C41 | H33 | 107.8° | 109.7° |
| C41 | C61 | H64 | 109.5° | 109.5° |
| C41 | C61 | H65 | 109.5° | 109.5° |
| C41 | C61 | H66 | 109.5° | 109.5° |
| C32 | C33 | O34 | 120.4° | 119.5° |
| C32 | C33 | C35 | 119.7° | 120.5° |
| C33 | C32 | H28 | 110.6° | 108.4° |
| C22 | C21 | C20 | 107.3° | 111.3° |
| C22 | C21 | H3 | 110.0° | 109.0° |
| C22 | C21 | H4 | 110.0° | 109.5° |
| C21 | C22 | H5 | 107.4° | 109.5° |
| O34 | C33 | C35 | 119.8° | 120.0° |
| C08 | C07 | C06 | 110.4° | 110.6° |
| C07 | C08 | N09 | 113.4° | 107.0° |
| C08 | C07 | H13 | 109.2° | 108.9° |
| C08 | C07 | H14 | 109.2° | 109.4° |
| C07 | C08 | H15 | 108.5° | 109.5° |
| C07 | C08 | H16 | 108.5° | 110.1° |
| C07 | C06 | C05 | 107.1° | 112.7° |
| C07 | C06 | H11 | 110.0° | 108.4° |
| C07 | C06 | H12 | 110.0° | 109.2° |
| C06 | C07 | H13 | 109.2° | 109.3° |
| C06 | C07 | H14 | 109.2° | 109.4° |
| C33 | C35 | C37 | 113.3° | 109.9° |
| C33 | C35 | O36 | 108.4° | 109.3° |
| C33 | C35 | H29 | 110.0° | 110.0° |
| C21 | C20 | O15 | 117.2° | 109.2° |
| C21 | C20 | C19 | 111.2° | 109.9° |
| C21 | C20 | H2 | 105.4° | 109.2° |
| C20 | C21 | H3 | 110.0° | 109.2° |
| C20 | C21 | H4 | 110.0° | 109.2° |
| O13 | C12 | C14 | 115.8° | 117.6° |
| O13 | C12 | C10 | 119.6° | 118.0° |
| C40 | C41 | C42 | 111.2° | 108.7° |
| C41 | C40 | C39 | 119.6° | 124.1° |
| C41 | C40 | H32 | 120.2° | 117.7° |
| C40 | C41 | H33 | 109.6° | 111.0° |
| C41 | C42 | O43 | 119.8° | 119.0° |
| C41 | C42 | C44 | 120.2° | 120.4° |
| C42 | C41 | H33 | 109.4° | 108.8° |
| C08 | N09 | C10 | 123.2° | 120.2° |
| C08 | N09 | C04 | 120.8° | 117.7° |
| N09 | C08 | H15 | 108.5° | 109.6° |
| N09 | C08 | H16 | 108.5° | 111.3° |
| O15 | C20 | C19 | 110.4° | 109.1° |
| C20 | O15 | C14 | 121.1° | 113.7° |
| O15 | C20 | H2 | 106.2° | 109.0° |
| C20 | C19 | C18 | 108.7° | 110.1° |
| C19 | C20 | H2 | 105.6° | 110.3° |
| C20 | C19 | H20 | 109.7° | 109.1° |
| C20 | C19 | H21 | 109.7° | 109.7° |
| O15 | C14 | C12 | 109.0° | 111.8° |
| O15 | C14 | O16 | 107.0° | 109.2° |
| O15 | C14 | C17 | 108.4° | 109.4° |
| C40 | C39 | C60 | 119.4° | 121.7° |
| C40 | C39 | C37 | 120.5° | 119.5° |
| C39 | C40 | H32 | 120.2° | 118.2° |
| O43 | C42 | C44 | 120.0° | 120.5° |
| C42 | C44 | C45 | 113.3° | 111.0° |
| C42 | C44 | H34 | 108.5° | 109.7° |
| C42 | C44 | H35 | 108.5° | 109.3° |
| C06 | C05 | C04 | 110.5° | 111.8° |
| C06 | C05 | H9 | 109.2° | 109.2° |
| C06 | C05 | H10 | 109.2° | 109.1° |
| C05 | C06 | H11 | 110.1° | 108.6° |
| C05 | C06 | H12 | 110.1° | 109.0° |
| C14 | C12 | C10 | 124.5° | 124.4° |
| C12 | C14 | O16 | 107.6° | 108.6° |
| C12 | C14 | C17 | 115.7° | 109.8° |
| C12 | C10 | N09 | 122.7° | 120.6° |
| C12 | C10 | O11 | 121.1° | 119.5° |
| C37 | C35 | O36 | 107.7° | 109.5° |
| C35 | C37 | C39 | 114.0° | 109.3° |
| C35 | C37 | O38 | 110.4° | 109.4° |
| C37 | C35 | H29 | 108.1° | 109.3° |
| C35 | C37 | H30 | 106.6° | 110.1° |
| C35 | O36 | C64 | 109.6° | 114.0° |
| O36 | C35 | H29 | 109.4° | 108.9° |
| C60 | C39 | C37 | 120.0° | 118.8° |
| C39 | C60 | H61 | 109.5° | 109.5° |
| C39 | C60 | H62 | 109.5° | 109.5° |
| C39 | C60 | H63 | 109.5° | 109.5° |
| C39 | C37 | O38 | 109.6° | 108.9° |
| C39 | C37 | H30 | 108.3° | 109.5° |
| C10 | N09 | C04 | 116.0° | 122.2° |
| N09 | C10 | O11 | 116.2° | 120.0° |
| N09 | C04 | C05 | 113.6° | 109.3° |
| N09 | C04 | C01 | 108.2° | 110.9° |
| N09 | C04 | H8 | 108.5° | 109.2° |
| O16 | C14 | C17 | 108.9° | 108.0° |
| C14 | O16 | H17 | 109.5° | 114.0° |
| C14 | C17 | C18 | 109.8° | 110.1° |
| C14 | C17 | C56 | 109.2° | 110.1° |
| C14 | C17 | H1 | 109.3° | 109.3° |
| C44 | C45 | O02 | 111.6° | 109.1° |
| C44 | C45 | C46 | 107.9° | 109.1° |
| C45 | C44 | H34 | 108.5° | 108.7° |
| C45 | C44 | H35 | 108.5° | 108.6° |
| C44 | C45 | H36 | 108.8° | 109.9° |
| O38 | C37 | H30 | 107.7° | 109.6° |
| C37 | O38 | H31 | 109.5° | 114.0° |
| C19 | C18 | C17 | 105.8° | 111.0° |
| C19 | C18 | H18 | 110.4° | 109.3° |
| C19 | C18 | H19 | 110.4° | 109.4° |
| C18 | C19 | H20 | 109.7° | 109.0° |
| C18 | C19 | H21 | 109.7° | 110.1° |
| O36 | C64 | H73 | 109.5° | 109.5° |
| O36 | C64 | H74 | 109.5° | 109.5° |
| O36 | C64 | H75 | 109.5° | 109.5° |
| C05 | C04 | C01 | 109.1° | 109.2° |
| C05 | C04 | H8 | 108.0° | 108.6° |
| C04 | C05 | H9 | 109.2° | 108.8° |
| C04 | C05 | H10 | 109.2° | 109.2° |
| C01 | O02 | C45 | 115.8° | 119.4° |
| O02 | C01 | C04 | 116.3° | 117.8° |
| O02 | C01 | O03 | 123.0° | 121.8° |
| O02 | C45 | C46 | 109.8° | 109.5° |
| O02 | C45 | H36 | 109.8° | 109.4° |
| C04 | C01 | O03 | 120.6° | 120.4° |
| C01 | C04 | H8 | 109.4° | 109.6° |
| C18 | C17 | C56 | 110.1° | 110.1° |
| C18 | C17 | H1 | 109.4° | 108.7° |
| C17 | C18 | H18 | 110.4° | 109.2° |
| C17 | C18 | H19 | 110.4° | 109.2° |
| C56 | C17 | H1 | 109.1° | 108.5° |
| C17 | C56 | H49 | 109.5° | 109.5° |
| C17 | C56 | H50 | 109.5° | 109.5° |
| C17 | C56 | H51 | 109.5° | 109.4° |
| C45 | C46 | C62 | 109.2° | 109.5° |
| C45 | C46 | C47 | 112.4° | 109.4° |
| C46 | C45 | H36 | 108.8° | 109.8° |
| C45 | C46 | H37 | 108.3° | 109.5° |
| C62 | C46 | C47 | 110.2° | 109.5° |
| C62 | C46 | H37 | 108.3° | 109.5° |
| C46 | C62 | H67 | 109.5° | 109.5° |
| C46 | C62 | H68 | 109.5° | 109.4° |
| C46 | C62 | H69 | 109.5° | 109.5° |
| C46 | C47 | C48 | 111.7° | 109.4° |
| C47 | C46 | H37 | 108.3° | 109.5° |
| C46 | C47 | H38 | 108.9° | 109.5° |
| C46 | C47 | H39 | 108.9° | 109.4° |
| C47 | C48 | C49 | 111.3° | 109.5° |
| C47 | C48 | C55 | 108.9° | 109.5° |
| C48 | C47 | H38 | 108.9° | 109.5° |
| C48 | C47 | H39 | 108.9° | 109.5° |
| C47 | C48 | H40 | 109.0° | 109.5° |
| C48 | C49 | C50 | 109.9° | 109.5° |
| C49 | C48 | C55 | 109.0° | 109.4° |
| C49 | C48 | H40 | 109.2° | 109.4° |
| C48 | C49 | H41 | 109.4° | 109.4° |
| C48 | C49 | H42 | 109.4° | 109.5° |
| C49 | C50 | O51 | 111.3° | 109.5° |
| C49 | C50 | C52 | 110.0° | 109.4° |
| C50 | C49 | H41 | 109.4° | 109.5° |
| C50 | C49 | H42 | 109.4° | 109.5° |
| C49 | C50 | H43 | 108.7° | 109.4° |
| C65 | O51 | C50 | 111.8° | 114.0° |
| O51 | C65 | H76 | 109.5° | 109.5° |
| O51 | C65 | H77 | 109.4° | 109.5° |
| O51 | C65 | H78 | 109.5° | 109.5° |
| C48 | C55 | C54 | 110.0° | 109.5° |
| C55 | C48 | H40 | 109.4° | 109.5° |
| C48 | C55 | H47 | 109.4° | 109.5° |
| C48 | C55 | H48 | 109.4° | 109.4° |
| O51 | C50 | C52 | 107.9° | 109.5° |
| O51 | C50 | H43 | 109.9° | 109.5° |
| C50 | C52 | C54 | 109.1° | 109.5° |
| C50 | C52 | O53 | 107.9° | 109.4° |
| C52 | C50 | H43 | 108.9° | 109.4° |
| C50 | C52 | H44 | 109.9° | 109.4° |
| C55 | C54 | C52 | 110.4° | 109.5° |
| C55 | C54 | H45 | 109.2° | 109.5° |
| C55 | C54 | H46 | 109.3° | 109.4° |
| C54 | C55 | H47 | 109.3° | 109.5° |
| C54 | C55 | H48 | 109.3° | 109.4° |
| C54 | C52 | O53 | 109.1° | 109.5° |
| C54 | C52 | H44 | 109.8° | 109.5° |
| C52 | C54 | H45 | 109.3° | 109.5° |
| C52 | C54 | H46 | 109.2° | 109.5° |
| C52 | O53 | C66 | 113.9° | 117.0° |
| O53 | C52 | H44 | 111.0° | 109.5° |
| O67 | C66 | O53 | 124.6° | 120.0° |
| O67 | C66 | C68 | 121.0° | 120.0° |
| O53 | C66 | C68 | 114.4° | 120.0° |
| C66 | C68 | C71 | 109.5° | 109.5° |
| C66 | C68 | C69 | 110.0° | 109.5° |
| C66 | C68 | C70 | 109.6° | 109.5° |
| C71 | C68 | C69 | 109.1° | 109.4° |
| C71 | C68 | C70 | 109.3° | 109.5° |
| C68 | C71 | H83 | 109.5° | 109.4° |
| C68 | C71 | H84 | 109.5° | 109.4° |
| C68 | C71 | H85 | 109.4° | 109.4° |
| O72 | C69 | C68 | 109.4° | 109.4° |
| O72 | C69 | H79 | 109.5° | 109.4° |
| O72 | C69 | H80 | 109.5° | 109.4° |
| C69 | O72 | H86 | 109.5° | 114.0° |
| C69 | C68 | C70 | 109.4° | 109.5° |
| C68 | C69 | H79 | 109.5° | 109.5° |
| C68 | C69 | H80 | 109.5° | 109.5° |
| C68 | C70 | O73 | 109.4° | 109.5° |
| C68 | C70 | H81 | 109.5° | 109.5° |
| C68 | C70 | H82 | 109.5° | 109.5° |
| O73 | C70 | H81 | 109.5° | 109.4° |
| O73 | C70 | H82 | 109.5° | 109.5° |
| C70 | O73 | H87 | 109.5° | 114.0° |
| H3 | C21 | H4 | 109.5° | 108.6° |
| H9 | C05 | H10 | 109.5° | 108.7° |
| H11 | C06 | H12 | 109.5° | 108.8° |
| H13 | C07 | H14 | 109.5° | 109.2° |
| H15 | C08 | H16 | 109.5° | 109.4° |
| H18 | C18 | H19 | 109.5° | 108.7° |
| H20 | C19 | H21 | 109.5° | 108.7° |
| H26 | C31 | H27 | 109.5° | 107.5° |
| H34 | C44 | H35 | 109.5° | 109.6° |
| H38 | C47 | H39 | 109.5° | 109.5° |
| H41 | C49 | H42 | 109.5° | 109.4° |
| H45 | C54 | H46 | 109.4° | 109.5° |
| H47 | C55 | H48 | 109.5° | 109.5° |
| H49 | C56 | H50 | 109.5° | 109.5° |
| H49 | C56 | H51 | 109.5° | 109.5° |
| H50 | C56 | H51 | 109.5° | 109.4° |
| H52 | C57 | H53 | 109.4° | 109.5° |
| H52 | C57 | H54 | 109.5° | 109.4° |
| H53 | C57 | H54 | 109.4° | 109.5° |
| H55 | C58 | H56 | 109.4° | 109.5° |
| H55 | C58 | H57 | 109.4° | 109.5° |
| H56 | C58 | H57 | 109.5° | 109.4° |
| H58 | C59 | H59 | 109.5° | 109.5° |
| H58 | C59 | H60 | 109.5° | 109.5° |
| H59 | C59 | H60 | 109.5° | 109.4° |
| H61 | C60 | H62 | 109.4° | 109.5° |
| H61 | C60 | H63 | 109.5° | 109.5° |
| H62 | C60 | H63 | 109.5° | 109.4° |
| H64 | C61 | H65 | 109.5° | 109.5° |
| H64 | C61 | H66 | 109.4° | 109.5° |
| H65 | C61 | H66 | 109.5° | 109.4° |
| H67 | C62 | H68 | 109.5° | 109.4° |
| H67 | C62 | H69 | 109.5° | 109.5° |
| H68 | C62 | H69 | 109.5° | 109.5° |
| H70 | C63 | H71 | 109.5° | 109.4° |
| H70 | C63 | H72 | 109.5° | 109.5° |
| H71 | C63 | H72 | 109.4° | 109.5° |
| H73 | C64 | H74 | 109.4° | 109.5° |
| H73 | C64 | H75 | 109.5° | 109.5° |
| H74 | C64 | H75 | 109.5° | 109.4° |
| H76 | C65 | H77 | 109.4° | 109.4° |
| H76 | C65 | H78 | 109.5° | 109.4° |
| H77 | C65 | H78 | 109.5° | 109.5° |
| H79 | C69 | H80 | 109.5° | 109.5° |
| H81 | C70 | H82 | 109.5° | 109.5° |
| H83 | C71 | H84 | 109.5° | 109.5° |
| H83 | C71 | H85 | 109.5° | 109.5° |
| H84 | C71 | H85 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C58 | C30 | C29 | C31 | 119.0° | 124.0° |
| C58 | C30 | C29 | H25 | 121.1° | 118.4° |
| C58 | C30 | C31 | H25 | 118.3° | 117.9° |
| C58 | C30 | C29 | C28 | 142.0° | 28.0° |
| C58 | C30 | C31 | C32 | 179.2° | 55.0° |
| C58 | C30 | C29 | H24 | 38.0° | 149.9° |
| C58 | C30 | C31 | H26 | 58.9° | 176.8° |
| C58 | C30 | C31 | H27 | 60.5° | 66.4° |
| C30 | C58 | H55 | H56 | 120.0° | 120.0° |
| C30 | C58 | H55 | H57 | 120.0° | 120.0° |
| C30 | C58 | H56 | H57 | 120.0° | 119.9° |
| C63 | O23 | C22 | C24 | 86.5° | 90.8° |
| C63 | O23 | C22 | C21 | 150.0° | 150.0° |
| C63 | O23 | C22 | H5 | 33.3° | 29.1° |
| O23 | C63 | H70 | H71 | 120.0° | 120.1° |
| O23 | C63 | H70 | H72 | 120.0° | 120.0° |
| O23 | C63 | H71 | H72 | 120.0° | 120.0° |
| C57 | C24 | C22 | O23 | 47.5° | 144.4° |
| C57 | C24 | C25 | C26 | 1.3° | 1.5° |
| C57 | C24 | C25 | C22 | 178.3° | 179.9° |
| C57 | C24 | C22 | C21 | 73.7° | 95.0° |
| C57 | C24 | C22 | H5 | 167.0° | 24.1° |
| C57 | C24 | C25 | H22 | 178.7° | 178.7° |
| C24 | C57 | H52 | H53 | 120.0° | 120.0° |
| C24 | C57 | H52 | H54 | 120.0° | 120.0° |
| C24 | C57 | H53 | H54 | 120.0° | 119.9° |
| C29 | C30 | C31 | H25 | 121.2° | 117.8° |
| C30 | C29 | C28 | H24 | 180.0° | 177.9° |
| C30 | C29 | C28 | C27 | 177.4° | 174.3° |
| C29 | C30 | C31 | C32 | 60.3° | 69.3° |
| C30 | C29 | C28 | H7 | 2.6° | 6.4° |
| C29 | C30 | C31 | H26 | 179.4° | 52.6° |
| C29 | C30 | C31 | H27 | 60.0° | 169.3° |
| C29 | C30 | C58 | H55 | 180.0° | 60.0° |
| C29 | C30 | C58 | H56 | 60.0° | 180.0° |
| C29 | C30 | C58 | H57 | 60.0° | 60.1° |
| C30 | C31 | C32 | C59 | 69.3° | 80.0° |
| C31 | C30 | C29 | C28 | 99.0° | 152.0° |
| C30 | C31 | C32 | H26 | 120.3° | 121.7° |
| C30 | C31 | C32 | H27 | 120.3° | 121.3° |
| C30 | C31 | C32 | C33 | 170.5° | 161.3° |
| C31 | C30 | C29 | H24 | 81.0° | 25.8° |
| C30 | C31 | H26 | H27 | 119.0° | 117.4° |
| C30 | C31 | C32 | H28 | 49.0° | 41.8° |
| C31 | C30 | C58 | H55 | 60.6° | 63.7° |
| C31 | C30 | C58 | H56 | 179.4° | 56.3° |
| C31 | C30 | C58 | H57 | 59.4° | 176.2° |
| C59 | C32 | C31 | C33 | 120.1° | 118.7° |
| C59 | C32 | C31 | H28 | 118.4° | 121.8° |
| C59 | C32 | C33 | H28 | 119.6° | 118.4° |
| C59 | C32 | C33 | O34 | 27.5° | 115.2° |
| C59 | C32 | C33 | C35 | 155.0° | 64.8° |
| C59 | C32 | C31 | H26 | 51.0° | 41.7° |
| C59 | C32 | C31 | H27 | 170.3° | 158.7° |
| C32 | C59 | H58 | H59 | 120.0° | 120.0° |
| C32 | C59 | H58 | H60 | 120.0° | 120.0° |
| C32 | C59 | H59 | H60 | 120.0° | 120.0° |
| C29 | C28 | C27 | H7 | 180.0° | 179.3° |
| C29 | C28 | C27 | C26 | 179.3° | 177.4° |
| C29 | C28 | C27 | H23 | 0.8° | 3.3° |
| C28 | C29 | C30 | H25 | 20.9° | 90.4° |
| C28 | C27 | C26 | H23 | 180.0° | 179.3° |
| C28 | C27 | C26 | C25 | 179.9° | 175.4° |
| C28 | C27 | C26 | H6 | 0.1° | 4.8° |
| C27 | C28 | C29 | H24 | 2.6° | 3.6° |
| O23 | C22 | C24 | C25 | 130.8° | 35.5° |
| O23 | C22 | C24 | C21 | 121.1° | 120.6° |
| O23 | C22 | C24 | H5 | 119.5° | 120.3° |
| O23 | C22 | C21 | H5 | 117.7° | 121.0° |
| O23 | C22 | C21 | C20 | 62.7° | 27.9° |
| O23 | C22 | C21 | H3 | 57.0° | 148.4° |
| O23 | C22 | C21 | H4 | 177.7° | 93.0° |
| C22 | O23 | C63 | H70 | 180.0° | 60.0° |
| C22 | O23 | C63 | H71 | 60.0° | 60.0° |
| C22 | O23 | C63 | H72 | 60.0° | 180.0° |
| C27 | C26 | C25 | H6 | 180.0° | 179.7° |
| C27 | C26 | C25 | C24 | 179.4° | 178.9° |
| C26 | C27 | C28 | H7 | 0.8° | 3.3° |
| C27 | C26 | C25 | H22 | 0.6° | 0.9° |
| C26 | C25 | C24 | H22 | 180.0° | 179.8° |
| C26 | C25 | C24 | C22 | 179.6° | 178.6° |
| C25 | C26 | C27 | H23 | 0.1° | 5.3° |
| C25 | C24 | C22 | C21 | 108.1° | 85.2° |
| C25 | C24 | C22 | H5 | 11.3° | 155.8° |
| C24 | C25 | C26 | H6 | 0.6° | 1.4° |
| C25 | C24 | C57 | H52 | 180.0° | 0.0° |
| C25 | C24 | C57 | H53 | 60.0° | 120.1° |
| C25 | C24 | C57 | H54 | 60.0° | 120.0° |
| C24 | C22 | C21 | H5 | 120.5° | 118.9° |
| C24 | C22 | C21 | C20 | 175.5° | 148.0° |
| C24 | C22 | C21 | H3 | 64.8° | 91.5° |
| C24 | C22 | C21 | H4 | 55.9° | 27.1° |
| C22 | C24 | C25 | H22 | 0.4° | 1.1° |
| C22 | C24 | C57 | H52 | 1.7° | 179.9° |
| C22 | C24 | C57 | H53 | 118.3° | 59.8° |
| C22 | C24 | C57 | H54 | 121.7° | 60.1° |
| C31 | C32 | C33 | H28 | 120.3° | 121.4° |
| C31 | C32 | C33 | O34 | 92.6° | 5.0° |
| C31 | C32 | C33 | C35 | 84.9° | 175.0° |
| C32 | C31 | C30 | H25 | 60.9° | 172.9° |
| C32 | C31 | H26 | H27 | 119.0° | 117.7° |
| C31 | C32 | C59 | H58 | 180.0° | 60.0° |
| C31 | C32 | C59 | H59 | 60.0° | 180.0° |
| C31 | C32 | C59 | H60 | 60.0° | 60.0° |
| C61 | C41 | C40 | C42 | 121.0° | 119.3° |
| C61 | C41 | C40 | H33 | 117.9° | 121.2° |
| C61 | C41 | C42 | H33 | 118.1° | 119.8° |
| C61 | C41 | C40 | C39 | 138.2° | 89.0° |
| C61 | C41 | C42 | O43 | 28.9° | 160.3° |
| C61 | C41 | C42 | C44 | 150.3° | 19.5° |
| C61 | C41 | C40 | H32 | 41.8° | 91.6° |
| C41 | C61 | H64 | H65 | 120.0° | 120.0° |
| C41 | C61 | H64 | H66 | 120.0° | 120.0° |
| C41 | C61 | H65 | H66 | 120.0° | 120.0° |
| C32 | C33 | O34 | C35 | 177.5° | 180.0° |
| C32 | C33 | C35 | C37 | 93.4° | 127.0° |
| C32 | C33 | C35 | O36 | 147.2° | 112.9° |
| C33 | C32 | C31 | H26 | 69.2° | 77.0° |
| C33 | C32 | C31 | H27 | 50.2° | 40.0° |
| C32 | C33 | C35 | H29 | 27.6° | 6.6° |
| C33 | C32 | C59 | H58 | 59.0° | 59.1° |
| C33 | C32 | C59 | H59 | 179.0° | 60.9° |
| C33 | C32 | C59 | H60 | 61.0° | 179.2° |
| C22 | C21 | C20 | H3 | 119.6° | 120.4° |
| C22 | C21 | C20 | H4 | 119.7° | 121.0° |
| C22 | C21 | C20 | O15 | 129.2° | 168.8° |
| C22 | C21 | C20 | C19 | 102.6° | 71.5° |
| C22 | C21 | C20 | H2 | 11.4° | 49.7° |
| C22 | C21 | H3 | H4 | 121.0° | 119.2° |
| O34 | C33 | C35 | C37 | 89.0° | 53.0° |
| O34 | C33 | C35 | O36 | 30.4° | 67.1° |
| O34 | C33 | C32 | H28 | 147.1° | 126.4° |
| O34 | C33 | C35 | H29 | 149.9° | 173.4° |
| C08 | C07 | C06 | H13 | 120.2° | 119.9° |
| C08 | C07 | C06 | H14 | 120.1° | 120.6° |
| C07 | C08 | N09 | H15 | 120.6° | 118.6° |
| C07 | C08 | N09 | H16 | 120.6° | 120.3° |
| C08 | C07 | C06 | C05 | 64.3° | 11.8° |
| C07 | C08 | N09 | C10 | 151.5° | 125.6° |
| C07 | C08 | N09 | C04 | 30.4° | 53.6° |
| C08 | C07 | C06 | H11 | 55.3° | 108.4° |
| C08 | C07 | C06 | H12 | 176.1° | 133.1° |
| C08 | C07 | H13 | H14 | 119.6° | 119.5° |
| C07 | C08 | H15 | H16 | 118.2° | 120.8° |
| C06 | C07 | C08 | N09 | 17.1° | 60.3° |
| C07 | C06 | C05 | H11 | 119.6° | 120.1° |
| C07 | C06 | C05 | H12 | 119.6° | 121.4° |
| C07 | C06 | C05 | C04 | 65.9° | 45.7° |
| C07 | C06 | C05 | H9 | 173.9° | 74.8° |
| C07 | C06 | C05 | H10 | 54.2° | 166.5° |
| C07 | C06 | H11 | H12 | 121.0° | 118.7° |
| C06 | C07 | H13 | H14 | 119.6° | 119.7° |
| C06 | C07 | C08 | H15 | 137.6° | 58.3° |
| C06 | C07 | C08 | H16 | 103.5° | 178.6° |
| C33 | C35 | C37 | O36 | 119.8° | 120.1° |
| C33 | C35 | C37 | H29 | 122.1° | 120.8° |
| C33 | C35 | O36 | H29 | 119.9° | 120.2° |
| C33 | C35 | C37 | C39 | 62.3° | 155.0° |
| C33 | C35 | C37 | O38 | 61.6° | 35.8° |
| C33 | C35 | O36 | C64 | 108.1° | 90.0° |
| C35 | C33 | C32 | H28 | 35.4° | 53.6° |
| C33 | C35 | C37 | H30 | 178.3° | 84.6° |
| C21 | C20 | O15 | C19 | 128.6° | 120.2° |
| C21 | C20 | O15 | H2 | 117.4° | 119.3° |
| C21 | C20 | C19 | H2 | 113.8° | 120.5° |
| C21 | C20 | O15 | C14 | 80.0° | 173.5° |
| C21 | C20 | C19 | C18 | 138.1° | 128.5° |
| C20 | C21 | H3 | H4 | 121.0° | 119.0° |
| C20 | C21 | C22 | H5 | 55.1° | 93.1° |
| C21 | C20 | C19 | H20 | 18.3° | 8.9° |
| C21 | C20 | C19 | H21 | 102.0° | 110.1° |
| O13 | C12 | C14 | O15 | 29.5° | 104.2° |
| O13 | C12 | C14 | C10 | 179.2° | 178.1° |
| O13 | C12 | C10 | N09 | 1.6° | 22.1° |
| O13 | C12 | C14 | O16 | 86.1° | 135.3° |
| O13 | C12 | C14 | C17 | 151.9° | 17.4° |
| O13 | C12 | C10 | O11 | 180.0° | 157.6° |
| C40 | C41 | C42 | H33 | 121.2° | 121.0° |
| C41 | C40 | C39 | H32 | 180.0° | 179.4° |
| C40 | C41 | C42 | O43 | 91.9° | 41.1° |
| C40 | C41 | C42 | C44 | 88.9° | 138.7° |
| C41 | C40 | C39 | C60 | 0.5° | 1.0° |
| C41 | C40 | C39 | C37 | 176.5° | 178.6° |
| C40 | C41 | C61 | H64 | 180.0° | 60.0° |
| C40 | C41 | C61 | H65 | 60.0° | 180.0° |
| C40 | C41 | C61 | H66 | 60.0° | 60.0° |
| C42 | C41 | C40 | C39 | 100.7° | 151.7° |
| C41 | C42 | O43 | C44 | 179.2° | 179.8° |
| C41 | C42 | C44 | C45 | 160.4° | 171.2° |
| C42 | C41 | C40 | H32 | 79.3° | 27.7° |
| C41 | C42 | C44 | H34 | 39.8° | 51.0° |
| C41 | C42 | C44 | H35 | 79.1° | 69.1° |
| C42 | C41 | C61 | H64 | 58.0° | 58.8° |
| C42 | C41 | C61 | H65 | 178.0° | 61.2° |
| C42 | C41 | C61 | H66 | 62.0° | 178.9° |
| C08 | N09 | C10 | C12 | 1.3° | 22.1° |
| C08 | N09 | C10 | C04 | 178.2° | 179.1° |
| C08 | N09 | C10 | O11 | 179.8° | 158.2° |
| C08 | N09 | C04 | C05 | 29.2° | 3.0° |
| C08 | N09 | C04 | C01 | 92.1° | 123.5° |
| C08 | N09 | C04 | H8 | 149.3° | 115.6° |
| N09 | C08 | C07 | H13 | 137.2° | 179.6° |
| N09 | C08 | C07 | H14 | 103.1° | 60.3° |
| N09 | C08 | H15 | H16 | 118.2° | 122.2° |
| O15 | C20 | C19 | H2 | 114.4° | 119.7° |
| C20 | O15 | C14 | C12 | 86.8° | 179.5° |
| C20 | O15 | C14 | O16 | 157.2° | 59.4° |
| C20 | O15 | C14 | C17 | 39.9° | 58.6° |
| O15 | C20 | C19 | C18 | 6.3° | 8.8° |
| O15 | C20 | C21 | H3 | 9.6° | 70.8° |
| O15 | C20 | C21 | H4 | 111.1° | 47.8° |
| O15 | C20 | C19 | H20 | 113.6° | 110.9° |
| O15 | C20 | C19 | H21 | 126.2° | 130.1° |
| C19 | C20 | O15 | C14 | 48.6° | 66.3° |
| C20 | C19 | C18 | H20 | 119.9° | 119.7° |
| C20 | C19 | C18 | H21 | 119.9° | 121.1° |
| C20 | C19 | C18 | C17 | 61.6° | 48.6° |
| C19 | C20 | C21 | H3 | 137.8° | 48.9° |
| C19 | C20 | C21 | H4 | 17.1° | 167.5° |
| C20 | C19 | C18 | H18 | 179.0° | 169.2° |
| C20 | C19 | C18 | H19 | 57.7° | 72.0° |
| C20 | C19 | H20 | H21 | 120.3° | 119.7° |
| O15 | C14 | C12 | O16 | 115.6° | 120.5° |
| O15 | C14 | C12 | C17 | 122.4° | 121.6° |
| O15 | C14 | C12 | C10 | 151.4° | 73.9° |
| O15 | C14 | O16 | C17 | 116.9° | 118.9° |
| O15 | C14 | C17 | C18 | 20.9° | 4.0° |
| O15 | C14 | C17 | C56 | 141.7° | 117.5° |
| O15 | C14 | C17 | H1 | 99.1° | 123.4° |
| C14 | O15 | C20 | H2 | 162.6° | 54.2° |
| O15 | C14 | O16 | H17 | 86.4° | 62.1° |
| C40 | C39 | C37 | C35 | 106.7° | 69.7° |
| C40 | C39 | C60 | C37 | 177.0° | 179.6° |
| C40 | C39 | C37 | O38 | 17.6° | 49.8° |
| C40 | C39 | C37 | H30 | 134.8° | 169.6° |
| C39 | C40 | C41 | H33 | 20.3° | 32.1° |
| C40 | C39 | C60 | H61 | 180.0° | 90.4° |
| C40 | C39 | C60 | H62 | 60.0° | 29.6° |
| C40 | C39 | C60 | H63 | 60.0° | 149.6° |
| O43 | C42 | C44 | C45 | 20.5° | 9.1° |
| O43 | C42 | C41 | H33 | 146.9° | 79.9° |
| O43 | C42 | C44 | H34 | 141.1° | 129.2° |
| O43 | C42 | C44 | H35 | 100.1° | 110.6° |
| C42 | C44 | C45 | H34 | 120.6° | 120.7° |
| C42 | C44 | C45 | H35 | 120.5° | 120.1° |
| C42 | C44 | C45 | O02 | 73.6° | 159.4° |
| C42 | C44 | C45 | C46 | 165.6° | 81.0° |
| C44 | C42 | C41 | H33 | 32.3° | 100.3° |
| C42 | C44 | H34 | H35 | 118.2° | 119.9° |
| C42 | C44 | C45 | H36 | 47.8° | 39.5° |
| C06 | C05 | C04 | N09 | 19.8° | 54.0° |
| C06 | C05 | C04 | H9 | 120.2° | 120.7° |
| C06 | C05 | C04 | H10 | 120.2° | 120.7° |
| C06 | C05 | C04 | C01 | 140.5° | 175.5° |
| C06 | C05 | C04 | H8 | 100.7° | 65.0° |
| C06 | C05 | H9 | H10 | 119.5° | 118.9° |
| C05 | C06 | H11 | H12 | 121.1° | 118.5° |
| C05 | C06 | C07 | H13 | 175.6° | 131.7° |
| C05 | C06 | C07 | H14 | 55.8° | 108.8° |
| C14 | C12 | C10 | N09 | 179.2° | 159.8° |
| C12 | C14 | O16 | C17 | 126.1° | 119.0° |
| C14 | C12 | C10 | O11 | 0.8° | 20.5° |
| C12 | C14 | C17 | C18 | 143.6° | 119.0° |
| C12 | C14 | C17 | C56 | 95.6° | 119.4° |
| C12 | C14 | C17 | H1 | 23.7° | 0.4° |
| C12 | C14 | O16 | H17 | 30.6° | 60.0° |
| C12 | C10 | N09 | O11 | 178.5° | 179.7° |
| C12 | C10 | N09 | C04 | 176.8° | 157.0° |
| C10 | C12 | C14 | O16 | 93.0° | 46.6° |
| C10 | C12 | C14 | C17 | 29.0° | 164.5° |
| C37 | C35 | O36 | H29 | 117.2° | 119.4° |
| C35 | C37 | C39 | C60 | 76.3° | 110.7° |
| C35 | C37 | C39 | O38 | 124.3° | 119.5° |
| C35 | C37 | C39 | H30 | 118.5° | 120.7° |
| C35 | C37 | O38 | H30 | 116.0° | 120.8° |
| C37 | C35 | O36 | C64 | 129.1° | 149.6° |
| C35 | C37 | O38 | H31 | 180.0° | 180.0° |
| O36 | C35 | C37 | C39 | 177.9° | 84.9° |
| O36 | C35 | C37 | O38 | 58.3° | 155.9° |
| O36 | C35 | C37 | H30 | 58.5° | 35.4° |
| C35 | O36 | C64 | H73 | 180.0° | 60.0° |
| C35 | O36 | C64 | H74 | 60.0° | 60.0° |
| C35 | O36 | C64 | H75 | 60.0° | 180.0° |
| C60 | C39 | C37 | O38 | 159.4° | 129.7° |
| C60 | C39 | C37 | H30 | 42.1° | 9.9° |
| C60 | C39 | C40 | H32 | 179.5° | 179.6° |
| C39 | C60 | H61 | H62 | 120.0° | 120.0° |
| C39 | C60 | H61 | H63 | 120.0° | 120.0° |
| C39 | C60 | H62 | H63 | 120.0° | 120.1° |
| C39 | C37 | O38 | H30 | 117.6° | 119.8° |
| C39 | C37 | C35 | H29 | 59.8° | 34.3° |
| C39 | C37 | O38 | H31 | 53.7° | 60.5° |
| C37 | C39 | C40 | H32 | 3.5° | 0.9° |
| C37 | C39 | C60 | H61 | 3.0° | 90.0° |
| C37 | C39 | C60 | H62 | 123.0° | 150.0° |
| C37 | C39 | C60 | H63 | 117.0° | 30.0° |
| C10 | N09 | C04 | C05 | 152.6° | 177.8° |
| C10 | N09 | C04 | C01 | 86.1° | 57.4° |
| C10 | N09 | C04 | H8 | 32.5° | 63.5° |
| C10 | N09 | C08 | H15 | 87.9° | 115.8° |
| C10 | N09 | C08 | H16 | 30.9° | 5.2° |
| C04 | N09 | C10 | O11 | 1.6° | 22.7° |
| N09 | C04 | C05 | C01 | 120.8° | 121.5° |
| N09 | C04 | C05 | H8 | 120.4° | 119.0° |
| N09 | C04 | C01 | O02 | 17.9° | 162.0° |
| N09 | C04 | C01 | H8 | 118.0° | 120.6° |
| N09 | C04 | C01 | O03 | 160.3° | 19.2° |
| N09 | C04 | C05 | H9 | 139.9° | 66.7° |
| N09 | C04 | C05 | H10 | 100.4° | 174.8° |
| C04 | N09 | C08 | H15 | 90.2° | 65.0° |
| C04 | N09 | C08 | H16 | 151.0° | 174.0° |
| O16 | C14 | C17 | C18 | 95.1° | 122.8° |
| O16 | C14 | C17 | C56 | 25.7° | 1.2° |
| O16 | C14 | C17 | H1 | 144.9° | 117.8° |
| C14 | C17 | C18 | C19 | 71.8° | 56.0° |
| C14 | C17 | C18 | C56 | 120.2° | 121.6° |
| C14 | C17 | C18 | H1 | 119.9° | 119.7° |
| C14 | C17 | C56 | H1 | 119.3° | 119.6° |
| C17 | C14 | O16 | H17 | 156.7° | 179.0° |
| C14 | C17 | C18 | H18 | 168.8° | 176.6° |
| C14 | C17 | C18 | H19 | 47.6° | 64.7° |
| C14 | C17 | C56 | H49 | 180.0° | 59.5° |
| C14 | C17 | C56 | H50 | 60.0° | 179.6° |
| C14 | C17 | C56 | H51 | 60.0° | 60.5° |
| C44 | C45 | O02 | C01 | 143.0° | 155.2° |
| C44 | C45 | O02 | C46 | 119.6° | 119.4° |
| C44 | C45 | O02 | H36 | 120.8° | 120.2° |
| C44 | C45 | C46 | H36 | 117.9° | 120.5° |
| C44 | C45 | C46 | C62 | 74.3° | 60.6° |
| C44 | C45 | C46 | C47 | 163.1° | 179.4° |
| C45 | C44 | H34 | H35 | 118.3° | 118.5° |
| C44 | C45 | C46 | H37 | 43.5° | 59.4° |
| O38 | C37 | C35 | H29 | 176.3° | 85.0° |
| C19 | C18 | C17 | H18 | 119.4° | 120.6° |
| C19 | C18 | C17 | H19 | 119.4° | 120.7° |
| C19 | C18 | C17 | C56 | 168.0° | 65.5° |
| C19 | C18 | C17 | H1 | 48.2° | 175.7° |
| C18 | C19 | C20 | H2 | 108.0° | 111.0° |
| C19 | C18 | H18 | H19 | 121.7° | 119.3° |
| C18 | C19 | H20 | H21 | 120.4° | 120.0° |
| C64 | O36 | C35 | H29 | 11.9° | 30.2° |
| O36 | C64 | H73 | H74 | 120.0° | 120.0° |
| O36 | C64 | H73 | H75 | 120.0° | 120.1° |
| O36 | C64 | H74 | H75 | 120.0° | 120.0° |
| C05 | C04 | C01 | O02 | 141.9° | 77.5° |
| C05 | C04 | C01 | H8 | 117.9° | 118.9° |
| C05 | C04 | C01 | O03 | 36.3° | 101.3° |
| C04 | C05 | H9 | H10 | 119.5° | 118.8° |
| C04 | C05 | C06 | H11 | 53.7° | 165.8° |
| C04 | C05 | C06 | H12 | 174.4° | 75.7° |
| O02 | C01 | C04 | O03 | 178.2° | 178.8° |
| C01 | O02 | C45 | C46 | 97.4° | 85.4° |
| O02 | C01 | C04 | H8 | 100.1° | 41.3° |
| C01 | O02 | C45 | H36 | 22.2° | 35.0° |
| C45 | O02 | C01 | C04 | 168.9° | 170.1° |
| C45 | O02 | C01 | O03 | 12.9° | 8.7° |
| O02 | C45 | C46 | H36 | 120.3° | 120.1° |
| O02 | C45 | C46 | C62 | 163.8° | 180.0° |
| O02 | C45 | C46 | C47 | 41.2° | 60.0° |
| O02 | C45 | C44 | H34 | 165.8° | 79.9° |
| O02 | C45 | C44 | H35 | 46.9° | 39.3° |
| O02 | C45 | C46 | H37 | 78.4° | 60.0° |
| C01 | C04 | C05 | H9 | 99.3° | 54.8° |
| C01 | C04 | C05 | H10 | 20.3° | 63.7° |
| C18 | C17 | C56 | H1 | 120.0° | 118.9° |
| C17 | C18 | H18 | H19 | 121.7° | 119.1° |
| C17 | C18 | C19 | H20 | 58.2° | 168.3° |
| C17 | C18 | C19 | H21 | 178.5° | 72.5° |
| C18 | C17 | C56 | H49 | 59.4° | 178.9° |
| C18 | C17 | C56 | H50 | 60.6° | 58.9° |
| C18 | C17 | C56 | H51 | 179.4° | 61.1° |
| O03 | C01 | C04 | H8 | 81.6° | 139.8° |
| C56 | C17 | C18 | H18 | 48.6° | 55.0° |
| C56 | C17 | C18 | H19 | 72.6° | 173.8° |
| C17 | C56 | H49 | H50 | 120.0° | 120.0° |
| C17 | C56 | H49 | H51 | 120.0° | 120.0° |
| C17 | C56 | H50 | H51 | 120.0° | 120.0° |
| C45 | C46 | C62 | C47 | 123.9° | 120.0° |
| C45 | C46 | C62 | H37 | 117.7° | 120.0° |
| C45 | C46 | C47 | H37 | 119.6° | 120.0° |
| C45 | C46 | C47 | C48 | 173.4° | 175.7° |
| C46 | C45 | C44 | H34 | 45.1° | 39.8° |
| C46 | C45 | C44 | H35 | 73.8° | 158.9° |
| C45 | C46 | C47 | H38 | 53.0° | 55.7° |
| C45 | C46 | C47 | H39 | 66.3° | 64.3° |
| C45 | C46 | C62 | H67 | 180.0° | 174.2° |
| C45 | C46 | C62 | H68 | 60.0° | 54.3° |
| C45 | C46 | C62 | H69 | 60.0° | 65.7° |
| C62 | C46 | C47 | H37 | 118.4° | 120.0° |
| C62 | C46 | C47 | C48 | 64.6° | 64.3° |
| C62 | C46 | C45 | H36 | 43.6° | 59.9° |
| C62 | C46 | C47 | H38 | 175.1° | 175.7° |
| C62 | C46 | C47 | H39 | 55.7° | 55.7° |
| C46 | C62 | H67 | H68 | 120.0° | 119.9° |
| C46 | C62 | H67 | H69 | 120.0° | 120.0° |
| C46 | C62 | H68 | H69 | 120.0° | 120.0° |
| C46 | C47 | C48 | H38 | 120.3° | 120.0° |
| C46 | C47 | C48 | H39 | 120.3° | 119.9° |
| C46 | C47 | C48 | C49 | 56.7° | 65.6° |
| C46 | C47 | C48 | C55 | 176.9° | 174.5° |
| C47 | C46 | C45 | H36 | 79.0° | 60.1° |
| C46 | C47 | H38 | H39 | 119.0° | 120.0° |
| C46 | C47 | C48 | H40 | 63.9° | 54.4° |
| C47 | C46 | C62 | H67 | 56.1° | 54.3° |
| C47 | C46 | C62 | H68 | 63.9° | 65.7° |
| C47 | C46 | C62 | H69 | 176.1° | 174.3° |
| C47 | C48 | C49 | C55 | 120.1° | 120.0° |
| C47 | C48 | C49 | H40 | 120.4° | 120.0° |
| C47 | C48 | C49 | C50 | 179.2° | 180.0° |
| C47 | C48 | C55 | H40 | 119.0° | 120.1° |
| C47 | C48 | C55 | C54 | 178.9° | 180.0° |
| C48 | C47 | C46 | H37 | 53.8° | 55.7° |
| C48 | C47 | H38 | H39 | 119.0° | 120.0° |
| C47 | C48 | C49 | H41 | 60.7° | 60.0° |
| C47 | C48 | C49 | H42 | 59.1° | 59.9° |
| C47 | C48 | C55 | H47 | 61.0° | 60.0° |
| C47 | C48 | C55 | H48 | 58.8° | 60.1° |
| C48 | C49 | C50 | H41 | 120.1° | 120.0° |
| C48 | C49 | C50 | H42 | 120.1° | 120.1° |
| C49 | C48 | C55 | H40 | 119.3° | 119.9° |
| C48 | C49 | C50 | O51 | 178.9° | 180.0° |
| C48 | C49 | C50 | C52 | 59.3° | 60.0° |
| C49 | C48 | C55 | C54 | 59.5° | 60.0° |
| C49 | C48 | C47 | H38 | 63.7° | 54.4° |
| C49 | C48 | C47 | H39 | 177.0° | 174.5° |
| C48 | C49 | H41 | H42 | 119.8° | 120.0° |
| C48 | C49 | C50 | H43 | 59.8° | 59.9° |
| C49 | C48 | C55 | H47 | 60.6° | 60.0° |
| C49 | C48 | C55 | H48 | 179.6° | 180.0° |
| C49 | C50 | O51 | C65 | 71.7° | 90.0° |
| C50 | C49 | C48 | C55 | 59.1° | 60.0° |
| C49 | C50 | O51 | C52 | 120.9° | 120.0° |
| C49 | C50 | O51 | H43 | 120.5° | 120.0° |
| C49 | C50 | C52 | H43 | 119.0° | 119.9° |
| C49 | C50 | C52 | C54 | 58.7° | 60.0° |
| C49 | C50 | C52 | O53 | 177.1° | 180.0° |
| C50 | C49 | C48 | H40 | 60.4° | 60.0° |
| C50 | C49 | H41 | H42 | 119.8° | 120.0° |
| C49 | C50 | C52 | H44 | 61.7° | 60.1° |
| C65 | O51 | C50 | C52 | 167.4° | 150.0° |
| C65 | O51 | C50 | H43 | 48.8° | 30.0° |
| O51 | C65 | H76 | H77 | 120.0° | 120.0° |
| O51 | C65 | H76 | H78 | 120.0° | 120.0° |
| O51 | C65 | H77 | H78 | 120.0° | 120.1° |
| C48 | C55 | C54 | H47 | 120.1° | 120.0° |
| C48 | C55 | C54 | H48 | 120.1° | 119.9° |
| C48 | C55 | C54 | C52 | 60.2° | 60.0° |
| C55 | C48 | C47 | H38 | 56.5° | 65.5° |
| C55 | C48 | C47 | H39 | 62.8° | 54.5° |
| C55 | C48 | C49 | H41 | 179.1° | 180.0° |
| C55 | C48 | C49 | H42 | 61.0° | 60.1° |
| C48 | C55 | C54 | H45 | 179.7° | 60.0° |
| C48 | C55 | C54 | H46 | 60.0° | 180.0° |
| C48 | C55 | H47 | H48 | 119.8° | 120.0° |
| O51 | C50 | C52 | H43 | 119.3° | 120.0° |
| O51 | C50 | C52 | C54 | 179.7° | 180.0° |
| O51 | C50 | C52 | O53 | 61.3° | 60.0° |
| O51 | C50 | C49 | H41 | 61.0° | 60.0° |
| O51 | C50 | C49 | H42 | 58.9° | 60.0° |
| O51 | C50 | C52 | H44 | 59.9° | 59.9° |
| C50 | O51 | C65 | H76 | 180.0° | 180.0° |
| C50 | O51 | C65 | H77 | 60.0° | 60.0° |
| C50 | O51 | C65 | H78 | 60.0° | 60.1° |
| C50 | C52 | C54 | C55 | 59.3° | 60.0° |
| C50 | C52 | C54 | O53 | 117.6° | 120.0° |
| C50 | C52 | C54 | H44 | 120.5° | 120.0° |
| C50 | C52 | O53 | H44 | 120.4° | 119.9° |
| C50 | C52 | O53 | C66 | 129.5° | 150.0° |
| C52 | C50 | C49 | H41 | 179.4° | 180.0° |
| C52 | C50 | C49 | H42 | 60.7° | 60.1° |
| C50 | C52 | C54 | H45 | 179.4° | 60.0° |
| C50 | C52 | C54 | H46 | 60.9° | 180.0° |
| C55 | C54 | C52 | H45 | 120.1° | 120.0° |
| C55 | C54 | C52 | H46 | 120.2° | 120.0° |
| C55 | C54 | C52 | O53 | 176.9° | 180.0° |
| C54 | C55 | C48 | H40 | 59.9° | 59.9° |
| C55 | C54 | C52 | H44 | 61.2° | 60.0° |
| C55 | C54 | H45 | H46 | 119.6° | 120.0° |
| C54 | C55 | H47 | H48 | 119.8° | 120.0° |
| C54 | C52 | O53 | H44 | 121.1° | 120.1° |
| C54 | C52 | O53 | C66 | 112.1° | 90.0° |
| C54 | C52 | C50 | H43 | 60.3° | 59.9° |
| C52 | C54 | H45 | H46 | 119.6° | 120.0° |
| C52 | C54 | C55 | H47 | 59.9° | 60.0° |
| C52 | C54 | C55 | H48 | 179.7° | 180.0° |
| C52 | O53 | C66 | O67 | 6.3° | 0.1° |
| C52 | O53 | C66 | C68 | 172.8° | 180.0° |
| O53 | C52 | C50 | H43 | 58.1° | 60.1° |
| O53 | C52 | C54 | H45 | 62.9° | 60.0° |
| O53 | C52 | C54 | H46 | 56.8° | 60.1° |
| O67 | C66 | O53 | C68 | 179.1° | 180.0° |
| O67 | C66 | C68 | C71 | 81.2° | 120.0° |
| O67 | C66 | C68 | C69 | 38.6° | 120.0° |
| O67 | C66 | C68 | C70 | 158.9° | 0.0° |
| O53 | C66 | C68 | C71 | 97.9° | 60.0° |
| O53 | C66 | C68 | C69 | 142.2° | 60.0° |
| O53 | C66 | C68 | C70 | 21.9° | 180.0° |
| C66 | O53 | C52 | H44 | 9.1° | 30.1° |
| C66 | C68 | C71 | C69 | 120.4° | 120.0° |
| C66 | C68 | C71 | C70 | 120.0° | 120.0° |
| C66 | C68 | C69 | O72 | 53.5° | 60.0° |
| C66 | C68 | C69 | C70 | 120.4° | 120.0° |
| C66 | C68 | C70 | O73 | 91.4° | 180.0° |
| C66 | C68 | C69 | H79 | 173.4° | 180.0° |
| C66 | C68 | C69 | H80 | 66.5° | 59.9° |
| C66 | C68 | C70 | H81 | 28.6° | 60.0° |
| C66 | C68 | C70 | H82 | 148.6° | 60.0° |
| C66 | C68 | C71 | H83 | 180.0° | 60.0° |
| C66 | C68 | C71 | H84 | 60.0° | 180.0° |
| C66 | C68 | C71 | H85 | 60.0° | 60.0° |
| C71 | C68 | C69 | O72 | 66.6° | 180.0° |
| C71 | C68 | C69 | C70 | 119.5° | 120.0° |
| C71 | C68 | C70 | O73 | 148.6° | 60.0° |
| C71 | C68 | C69 | H79 | 53.4° | 60.1° |
| C71 | C68 | C69 | H80 | 173.4° | 60.0° |
| C71 | C68 | C70 | H81 | 91.4° | 180.0° |
| C71 | C68 | C70 | H82 | 28.6° | 60.0° |
| C68 | C71 | H83 | H84 | 120.0° | 119.9° |
| C68 | C71 | H83 | H85 | 120.0° | 120.0° |
| C68 | C71 | H84 | H85 | 120.0° | 120.0° |
| O72 | C69 | C68 | H79 | 120.0° | 119.9° |
| O72 | C69 | C68 | H80 | 120.0° | 120.0° |
| O72 | C69 | C68 | C70 | 173.9° | 60.0° |
| O72 | C69 | H79 | H80 | 120.0° | 120.0° |
| C69 | C68 | C70 | O73 | 29.2° | 60.0° |
| C68 | C69 | H79 | H80 | 120.0° | 120.1° |
| C69 | C68 | C70 | H81 | 149.2° | 60.0° |
| C69 | C68 | C70 | H82 | 90.8° | 180.0° |
| C69 | C68 | C71 | H83 | 59.6° | 59.9° |
| C69 | C68 | C71 | H84 | 179.6° | 60.0° |
| C69 | C68 | C71 | H85 | 60.4° | 180.0° |
| C68 | C69 | O72 | H86 | 35.8° | 180.0° |
| C68 | C70 | O73 | H81 | 120.0° | 120.0° |
| C68 | C70 | O73 | H82 | 120.0° | 120.0° |
| C70 | C68 | C69 | H79 | 66.1° | 60.0° |
| C70 | C68 | C69 | H80 | 53.9° | 179.9° |
| C68 | C70 | H81 | H82 | 120.0° | 120.1° |
| C70 | C68 | C71 | H83 | 60.0° | 180.0° |
| C70 | C68 | C71 | H84 | 60.0° | 60.0° |
| C70 | C68 | C71 | H85 | 180.0° | 60.0° |
| C68 | C70 | O73 | H87 | 180.0° | 180.0° |
| O73 | C70 | H81 | H82 | 120.0° | 120.0° |
| H1 | C17 | C18 | H18 | 71.3° | 63.7° |
| H1 | C17 | C18 | H19 | 167.6° | 55.0° |
| H1 | C17 | C56 | H49 | 60.7° | 60.1° |
| H1 | C17 | C56 | H50 | 179.3° | 60.0° |
| H1 | C17 | C56 | H51 | 59.3° | 180.0° |
| H2 | C20 | C21 | H3 | 108.3° | 170.1° |
| H2 | C20 | C21 | H4 | 131.1° | 71.3° |
| H2 | C20 | C19 | H20 | 132.1° | 129.4° |
| H2 | C20 | C19 | H21 | 11.9° | 10.4° |
| H3 | C21 | C22 | H5 | 174.7° | 27.4° |
| H4 | C21 | C22 | H5 | 64.6° | 146.0° |
| H6 | C26 | C25 | H22 | 179.5° | 178.9° |
| H6 | C26 | C27 | H23 | 179.9° | 174.5° |
| H7 | C28 | C27 | H23 | 179.2° | 176.0° |
| H7 | C28 | C29 | H24 | 177.4° | 175.7° |
| H8 | C04 | C05 | H9 | 19.5° | 174.3° |
| H8 | C04 | C05 | H10 | 139.1° | 55.8° |
| H9 | C05 | C06 | H11 | 66.5° | 45.3° |
| H9 | C05 | C06 | H12 | 54.3° | 163.8° |
| H10 | C05 | C06 | H11 | 173.9° | 73.4° |
| H10 | C05 | C06 | H12 | 65.4° | 45.1° |
| H11 | C06 | C07 | H13 | 64.8° | 11.4° |
| H11 | C06 | C07 | H14 | 175.5° | 131.0° |
| H12 | C06 | C07 | H13 | 55.9° | 107.0° |
| H12 | C06 | C07 | H14 | 63.8° | 12.5° |
| H13 | C07 | C08 | H15 | 102.2° | 61.8° |
| H13 | C07 | C08 | H16 | 16.6° | 58.5° |
| H14 | C07 | C08 | H15 | 17.5° | 178.9° |
| H14 | C07 | C08 | H16 | 136.3° | 60.8° |
| H18 | C18 | C19 | H20 | 61.1° | 71.1° |
| H18 | C18 | C19 | H21 | 59.1° | 48.0° |
| H19 | C18 | C19 | H20 | 177.6° | 47.8° |
| H19 | C18 | C19 | H21 | 62.1° | 166.9° |
| H24 | C29 | C30 | H25 | 159.1° | 91.7° |
| H25 | C30 | C31 | H26 | 59.4° | 65.2° |
| H25 | C30 | C31 | H27 | 178.8° | 51.5° |
| H25 | C30 | C58 | H55 | 57.7° | 178.5° |
| H25 | C30 | C58 | H56 | 62.3° | 61.5° |
| H25 | C30 | C58 | H57 | 177.7° | 58.4° |
| H26 | C31 | C32 | H28 | 169.3° | 163.5° |
| H27 | C31 | C32 | H28 | 71.3° | 79.5° |
| H28 | C32 | C59 | H58 | 61.7° | 177.0° |
| H28 | C32 | C59 | H59 | 58.3° | 56.9° |
| H28 | C32 | C59 | H60 | 178.3° | 63.0° |
| H29 | C35 | C37 | H30 | 59.6° | 154.6° |
| H30 | C37 | O38 | H31 | 63.9° | 59.3° |
| H32 | C40 | C41 | H33 | 159.6° | 147.3° |
| H33 | C41 | C61 | H64 | 61.0° | 178.1° |
| H33 | C41 | C61 | H65 | 59.0° | 58.0° |
| H33 | C41 | C61 | H66 | 179.0° | 61.9° |
| H34 | C44 | C45 | H36 | 72.8° | 160.2° |
| H35 | C44 | C45 | H36 | 168.3° | 80.6° |
| H36 | C45 | C46 | H37 | 161.4° | 179.9° |
| H37 | C46 | C47 | H38 | 66.5° | 64.3° |
| H37 | C46 | C47 | H39 | 174.1° | 175.7° |
| H37 | C46 | C62 | H67 | 62.3° | 65.8° |
| H37 | C46 | C62 | H68 | 177.7° | 174.3° |
| H37 | C46 | C62 | H69 | 57.7° | 54.3° |
| H38 | C47 | C48 | H40 | 175.8° | 174.4° |
| H39 | C47 | C48 | H40 | 56.5° | 65.5° |
| H40 | C48 | C49 | H41 | 59.7° | 60.0° |
| H40 | C48 | C49 | H42 | 179.6° | 180.0° |
| H40 | C48 | C55 | H47 | 179.9° | 179.9° |
| H40 | C48 | C55 | H48 | 60.2° | 60.0° |
| H41 | C49 | C50 | H43 | 60.2° | 60.1° |
| H42 | C49 | C50 | H43 | 179.9° | 180.0° |
| H43 | C50 | C52 | H44 | 179.2° | 180.0° |
| H44 | C52 | C54 | H45 | 59.0° | 180.0° |
| H44 | C52 | C54 | H46 | 178.7° | 60.0° |
| H45 | C54 | C55 | H47 | 60.2° | 180.0° |
| H45 | C54 | C55 | H48 | 59.6° | 60.0° |
| H46 | C54 | C55 | H47 | 179.9° | 60.0° |
| H46 | C54 | C55 | H48 | 60.1° | 60.1° |
| H49 | C56 | H50 | H51 | 120.0° | 120.0° |
| H52 | C57 | H53 | H54 | 120.0° | 120.0° |
| H55 | C58 | H56 | H57 | 120.0° | 120.0° |
| H58 | C59 | H59 | H60 | 120.0° | 120.0° |
| H61 | C60 | H62 | H63 | 120.0° | 120.0° |
| H64 | C61 | H65 | H66 | 120.0° | 120.0° |
| H67 | C62 | H68 | H69 | 120.0° | 120.0° |
| H70 | C63 | H71 | H72 | 120.0° | 120.0° |
| H73 | C64 | H74 | H75 | 120.0° | 119.9° |
| H76 | C65 | H77 | H78 | 120.0° | 119.9° |
| H79 | C69 | O72 | H86 | 155.8° | 60.0° |
| H80 | C69 | O72 | H86 | 84.2° | 60.0° |
| H81 | C70 | O73 | H87 | 60.0° | 60.0° |
| H82 | C70 | O73 | H87 | 60.0° | 60.0° |
| H83 | C71 | H84 | H85 | 120.0° | 120.1° |
