A1BAF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C01 | sing | 1.47Å | 1.46Å | |
| N01 | C07 | sing | 1.47Å | 1.46Å | |
| N01 | C33 | sing | 1.40Å | 1.40Å | |
| N02 | C02 | sing | 1.47Å | 1.48Å | |
| N02 | C04 | sing | 1.47Å | 1.47Å | |
| N02 | C05 | sing | 1.47Å | 1.48Å | |
| N03 | C11 | sing | 1.38Å | 1.42Å | Aromatic |
| N03 | C14 | sing | 1.34Å | 1.43Å | Aromatic |
| N04 | C21 | sing | 1.35Å | 1.46Å | |
| N04 | C22 | sing | 1.47Å | 1.45Å | |
| N05 | C30 | sing | 1.35Å | 1.44Å | |
| N06 | C34 | sing | 1.40Å | 1.47Å | |
| N06 | C38 | sing | 1.35Å | 1.44Å | |
| N07 | C40 | sing | 1.35Å | 1.43Å | |
| N07 | C41 | sing | 1.34Å | 1.37Å | |
| N08 | C49 | sing | 1.35Å | 1.38Å | |
| N08 | C50 | sing | 1.46Å | 1.46Å | |
| N09 | C08 | sing | 1.35Å | 1.41Å | |
| N09 | C69 | sing | 1.46Å | 1.47Å | |
| C01 | C02 | sing | 1.53Å | 1.55Å | |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C05 | C06 | sing | 1.53Å | 1.54Å | |
| C05 | C07 | sing | 1.53Å | 1.54Å | |
| C08 | C09 | sing | 1.41Å | 1.49Å | |
| C08 | O01 | doub | 1.22Å | 1.25Å | |
| C09 | C10 | doub | 1.36Å | 1.36Å | |
| C10 | C11 | sing | 1.41Å | 1.47Å | |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.47Å | 1.42Å | Aromatic |
| C12 | C15 | sing | 1.48Å | 1.54Å | |
| C13 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C21 | sing | 1.47Å | 1.53Å | |
| C15 | C16 | doub | 1.40Å | 1.32Å | Aromatic |
| C15 | C20 | sing | 1.40Å | 1.53Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.54Å | Aromatic |
| C16 | F01 | sing | 1.35Å | 1.36Å | |
| C17 | C18 | doub | 1.38Å | 1.32Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.52Å | Aromatic |
| C18 | CL01 | sing | 1.74Å | 1.77Å | |
| C19 | C20 | doub | 1.38Å | 1.32Å | Aromatic |
| C21 | O02 | doub | 1.22Å | 1.18Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | C24 | sing | 1.51Å | 1.51Å | |
| C23 | C30 | sing | 1.51Å | 1.53Å | |
| C24 | C25 | doub | 1.38Å | 1.34Å | Aromatic |
| C24 | C29 | sing | 1.38Å | 1.52Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.52Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.32Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.54Å | Aromatic |
| C27 | F02 | sing | 1.35Å | 1.36Å | |
| C28 | C29 | doub | 1.38Å | 1.31Å | Aromatic |
| C28 | CL02 | sing | 1.74Å | 1.78Å | |
| C30 | O03 | doub | 1.21Å | 1.19Å | |
| C31 | C32 | doub | 1.38Å | 1.34Å | Aromatic |
| C31 | C36 | sing | 1.39Å | 1.51Å | Aromatic |
| C32 | C33 | sing | 1.39Å | 1.46Å | Aromatic |
| C33 | C34 | doub | 1.40Å | 1.41Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.55Å | Aromatic |
| C35 | C36 | doub | 1.39Å | 1.34Å | Aromatic |
| C36 | C37 | sing | 1.48Å | 1.56Å | |
| C37 | C44 | doub | 1.39Å | 1.32Å | Aromatic |
| C37 | C48 | sing | 1.40Å | 1.50Å | Aromatic |
| C38 | C39 | sing | 1.47Å | 1.52Å | |
| C38 | O04 | doub | 1.22Å | 1.19Å | |
| C39 | C40 | doub | 1.38Å | 1.45Å | |
| C39 | C43 | sing | 1.42Å | 1.46Å | |
| C41 | C42 | sing | 1.41Å | 1.46Å | |
| C41 | O05 | doub | 1.22Å | 1.39Å | |
| C42 | C43 | doub | 1.36Å | 1.39Å | |
| C43 | C70 | sing | 1.51Å | 1.54Å | |
| C44 | C45 | sing | 1.39Å | 1.51Å | Aromatic |
| C45 | C46 | doub | 1.40Å | 1.31Å | Aromatic |
| C45 | C49 | sing | 1.48Å | 1.54Å | |
| C46 | C47 | sing | 1.38Å | 1.52Å | Aromatic |
| C47 | C48 | doub | 1.38Å | 1.32Å | Aromatic |
| C48 | F03 | sing | 1.35Å | 1.35Å | |
| C49 | O06 | doub | 1.22Å | 1.20Å | |
| C50 | C51 | sing | 1.53Å | 1.53Å | |
| C51 | O07 | sing | 1.43Å | 1.42Å | |
| C52 | C53 | sing | 1.53Å | 1.53Å | |
| C52 | O07 | sing | 1.43Å | 1.42Å | |
| C53 | O08 | sing | 1.43Å | 1.42Å | |
| C54 | C55 | sing | 1.53Å | 1.54Å | |
| C54 | O08 | sing | 1.43Å | 1.42Å | |
| C55 | O09 | sing | 1.43Å | 1.42Å | |
| C56 | C57 | sing | 1.53Å | 1.54Å | |
| C56 | O09 | sing | 1.43Å | 1.43Å | |
| C57 | O10 | sing | 1.43Å | 1.42Å | |
| C58 | C59 | sing | 1.53Å | 1.53Å | |
| C58 | O10 | sing | 1.43Å | 1.42Å | |
| C59 | O11 | sing | 1.43Å | 1.42Å | |
| C60 | C61 | sing | 1.53Å | 1.52Å | |
| C60 | O11 | sing | 1.43Å | 1.42Å | |
| C61 | O12 | sing | 1.43Å | 1.42Å | |
| C62 | C63 | sing | 1.53Å | 1.54Å | |
| C62 | O12 | sing | 1.43Å | 1.41Å | |
| C63 | O13 | sing | 1.43Å | 1.42Å | |
| C64 | C65 | sing | 1.53Å | 1.54Å | |
| C64 | O13 | sing | 1.43Å | 1.43Å | |
| C65 | O14 | sing | 1.43Å | 1.42Å | |
| C66 | C67 | sing | 1.53Å | 1.53Å | |
| C66 | O14 | sing | 1.43Å | 1.42Å | |
| C67 | O15 | sing | 1.43Å | 1.42Å | |
| C68 | C69 | sing | 1.53Å | 1.54Å | |
| C68 | O15 | sing | 1.43Å | 1.42Å | |
| C70 | F04 | sing | 1.40Å | 1.35Å | |
| C70 | F05 | sing | 1.40Å | 1.38Å | |
| C70 | F06 | sing | 1.40Å | 1.36Å | |
| C10 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | H22 | sing | 1.08Å | 1.08Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.08Å | 1.08Å | |
| C26 | H28 | sing | 1.08Å | 1.08Å | |
| C01 | H02 | sing | 1.09Å | 1.10Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C02 | H03 | sing | 1.09Å | 1.10Å | |
| C03 | H05 | sing | 1.09Å | 1.10Å | |
| C03 | H04 | sing | 1.09Å | 1.10Å | |
| C03 | H06 | sing | 1.09Å | 1.10Å | |
| C04 | H09 | sing | 1.09Å | 1.10Å | |
| C04 | H07 | sing | 1.09Å | 1.10Å | |
| C04 | H08 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H32 | sing | 1.08Å | 1.08Å | |
| C32 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | H34 | sing | 1.08Å | 1.08Å | |
| C40 | H36 | sing | 1.08Å | 1.08Å | |
| C42 | H38 | sing | 1.08Å | 1.08Å | |
| C44 | H39 | sing | 1.08Å | 1.08Å | |
| C46 | H40 | sing | 1.08Å | 1.08Å | |
| C47 | H41 | sing | 1.08Å | 1.08Å | |
| C50 | H44 | sing | 1.09Å | 1.10Å | |
| C50 | H43 | sing | 1.09Å | 1.10Å | |
| C51 | H46 | sing | 1.09Å | 1.10Å | |
| C51 | H45 | sing | 1.09Å | 1.10Å | |
| C52 | H47 | sing | 1.09Å | 1.10Å | |
| C52 | H48 | sing | 1.09Å | 1.10Å | |
| C53 | H49 | sing | 1.09Å | 1.10Å | |
| C53 | H50 | sing | 1.09Å | 1.10Å | |
| C54 | H52 | sing | 1.09Å | 1.10Å | |
| C54 | H51 | sing | 1.09Å | 1.10Å | |
| C55 | H53 | sing | 1.09Å | 1.10Å | |
| C55 | H54 | sing | 1.09Å | 1.10Å | |
| C56 | H56 | sing | 1.09Å | 1.10Å | |
| C56 | H55 | sing | 1.09Å | 1.10Å | |
| C57 | H58 | sing | 1.09Å | 1.10Å | |
| C57 | H57 | sing | 1.09Å | 1.10Å | |
| C58 | H59 | sing | 1.09Å | 1.10Å | |
| C58 | H60 | sing | 1.09Å | 1.10Å | |
| C59 | H61 | sing | 1.09Å | 1.10Å | |
| C59 | H62 | sing | 1.09Å | 1.10Å | |
| C60 | H64 | sing | 1.09Å | 1.10Å | |
| C60 | H63 | sing | 1.09Å | 1.10Å | |
| C61 | H65 | sing | 1.09Å | 1.10Å | |
| C61 | H66 | sing | 1.09Å | 1.10Å | |
| C62 | H68 | sing | 1.09Å | 1.10Å | |
| C62 | H67 | sing | 1.09Å | 1.10Å | |
| C63 | H70 | sing | 1.09Å | 1.10Å | |
| C63 | H69 | sing | 1.09Å | 1.10Å | |
| C64 | H72 | sing | 1.09Å | 1.10Å | |
| C64 | H71 | sing | 1.09Å | 1.10Å | |
| C65 | H74 | sing | 1.09Å | 1.10Å | |
| C65 | H73 | sing | 1.09Å | 1.10Å | |
| C66 | H76 | sing | 1.09Å | 1.10Å | |
| C66 | H75 | sing | 1.09Å | 1.10Å | |
| C67 | H78 | sing | 1.09Å | 1.10Å | |
| C67 | H77 | sing | 1.09Å | 1.10Å | |
| C68 | H79 | sing | 1.09Å | 1.10Å | |
| C68 | H80 | sing | 1.09Å | 1.10Å | |
| C69 | H82 | sing | 1.09Å | 1.10Å | |
| C69 | H81 | sing | 1.09Å | 1.10Å | |
| N03 | H19 | sing | 0.97Å | 1.00Å | |
| N04 | H23 | sing | 0.97Å | 1.00Å | |
| N05 | H30 | sing | 0.97Å | 1.00Å | |
| N05 | H31 | sing | 0.97Å | 1.00Å | |
| N06 | H35 | sing | 0.97Å | 1.00Å | |
| N07 | H37 | sing | 0.97Å | 1.00Å | |
| N08 | H42 | sing | 0.97Å | 1.00Å | |
| N09 | H83 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N01 | C07 | 110.3° | 110.9° |
| C01 | N01 | C33 | 117.9° | 111.0° |
| N01 | C01 | C02 | 110.7° | 109.3° |
| N01 | C01 | H02 | 109.2° | 109.5° |
| N01 | C01 | H01 | 109.2° | 109.5° |
| C07 | N01 | C33 | 112.2° | 111.0° |
| N01 | C07 | C05 | 111.2° | 109.3° |
| N01 | C07 | H15 | 109.0° | 109.5° |
| N01 | C07 | H14 | 109.1° | 109.5° |
| N01 | C33 | C32 | 122.2° | 120.0° |
| N01 | C33 | C34 | 117.3° | 120.0° |
| C02 | N02 | C04 | 110.6° | 111.0° |
| C02 | N02 | C05 | 109.4° | 110.9° |
| N02 | C02 | C01 | 110.2° | 109.3° |
| N02 | C02 | C03 | 111.9° | 109.5° |
| N02 | C02 | H03 | 109.2° | 109.5° |
| C04 | N02 | C05 | 110.3° | 111.0° |
| N02 | C04 | H09 | 109.5° | 109.5° |
| N02 | C04 | H07 | 109.5° | 109.5° |
| N02 | C04 | H08 | 109.5° | 109.4° |
| N02 | C05 | C06 | 112.0° | 109.5° |
| N02 | C05 | C07 | 110.5° | 109.4° |
| N02 | C05 | H10 | 109.1° | 109.5° |
| C11 | N03 | C14 | 108.0° | 110.5° |
| N03 | C11 | C10 | 124.5° | 125.9° |
| N03 | C11 | C12 | 107.4° | 108.1° |
| C11 | N03 | H19 | 126.0° | 124.8° |
| N03 | C14 | C13 | 107.7° | 109.3° |
| N03 | C14 | H18 | 126.1° | 125.4° |
| C14 | N03 | H19 | 126.0° | 124.7° |
| C21 | N04 | C22 | 117.2° | 120.0° |
| N04 | C21 | C13 | 119.7° | 120.0° |
| N04 | C21 | O02 | 120.3° | 120.0° |
| C21 | N04 | H23 | 121.4° | 120.0° |
| N04 | C22 | C23 | 111.1° | 109.5° |
| N04 | C22 | C24 | 108.7° | 109.4° |
| N04 | C22 | H24 | 111.4° | 109.5° |
| C22 | N04 | H23 | 121.4° | 120.0° |
| N05 | C30 | C23 | 117.8° | 120.0° |
| N05 | C30 | O03 | 123.1° | 120.0° |
| C30 | N05 | H30 | 120.0° | 120.0° |
| C30 | N05 | H31 | 120.0° | 120.0° |
| C34 | N06 | C38 | 121.3° | 120.0° |
| N06 | C34 | C33 | 130.4° | 120.0° |
| N06 | C34 | C35 | 111.3° | 120.0° |
| C34 | N06 | H35 | 119.4° | 120.0° |
| N06 | C38 | C39 | 112.8° | 120.0° |
| N06 | C38 | O04 | 122.5° | 120.0° |
| C38 | N06 | H35 | 119.3° | 120.0° |
| C40 | N07 | C41 | 119.5° | 121.0° |
| N07 | C40 | C39 | 120.8° | 120.5° |
| N07 | C40 | H36 | 119.6° | 119.7° |
| C40 | N07 | H37 | 120.3° | 119.5° |
| N07 | C41 | C42 | 121.5° | 120.5° |
| N07 | C41 | O05 | 117.0° | 119.8° |
| C41 | N07 | H37 | 120.3° | 119.5° |
| C49 | N08 | C50 | 121.2° | 120.0° |
| N08 | C49 | C45 | 116.7° | 120.0° |
| N08 | C49 | O06 | 122.1° | 120.0° |
| C49 | N08 | H42 | 119.4° | 120.0° |
| N08 | C50 | C51 | 112.4° | 109.4° |
| N08 | C50 | H44 | 108.7° | 109.5° |
| N08 | C50 | H43 | 108.8° | 109.5° |
| C50 | N08 | H42 | 119.4° | 120.0° |
| C08 | N09 | C69 | 121.3° | 120.0° |
| N09 | C08 | C09 | 116.8° | 120.0° |
| N09 | C08 | O01 | 122.7° | 120.0° |
| C08 | N09 | H83 | 119.3° | 120.0° |
| N09 | C69 | C68 | 111.6° | 109.4° |
| N09 | C69 | H82 | 108.9° | 109.5° |
| N09 | C69 | H81 | 108.9° | 109.5° |
| C69 | N09 | H83 | 119.4° | 120.1° |
| C01 | C02 | C03 | 108.6° | 109.5° |
| C02 | C01 | H02 | 109.1° | 109.5° |
| C02 | C01 | H01 | 109.2° | 109.5° |
| C01 | C02 | H03 | 108.4° | 109.5° |
| C03 | C02 | H03 | 108.5° | 109.5° |
| C02 | C03 | H05 | 109.5° | 109.5° |
| C02 | C03 | H04 | 109.5° | 109.5° |
| C02 | C03 | H06 | 109.5° | 109.5° |
| C06 | C05 | C07 | 108.4° | 109.5° |
| C06 | C05 | H10 | 108.4° | 109.5° |
| C05 | C06 | H12 | 109.5° | 109.5° |
| C05 | C06 | H13 | 109.5° | 109.5° |
| C05 | C06 | H11 | 109.5° | 109.5° |
| C07 | C05 | H10 | 108.3° | 109.5° |
| C05 | C07 | H15 | 109.0° | 109.5° |
| C05 | C07 | H14 | 109.0° | 109.5° |
| C09 | C08 | O01 | 120.5° | 120.0° |
| C08 | C09 | C10 | 128.3° | 120.0° |
| C08 | C09 | H16 | 115.9° | 120.0° |
| C09 | C10 | C11 | 133.7° | 120.0° |
| C09 | C10 | H17 | 113.2° | 120.0° |
| C10 | C09 | H16 | 115.9° | 120.0° |
| C10 | C11 | C12 | 128.1° | 126.0° |
| C11 | C10 | H17 | 113.2° | 120.0° |
| C11 | C12 | C13 | 109.1° | 105.8° |
| C11 | C12 | C15 | 123.6° | 127.1° |
| C13 | C12 | C15 | 127.3° | 127.1° |
| C12 | C13 | C14 | 107.8° | 106.3° |
| C12 | C13 | C21 | 124.8° | 126.8° |
| C12 | C15 | C16 | 123.7° | 120.1° |
| C12 | C15 | C20 | 114.8° | 120.2° |
| C14 | C13 | C21 | 127.4° | 126.9° |
| C13 | C14 | H18 | 126.1° | 125.3° |
| C13 | C21 | O02 | 119.9° | 120.0° |
| C16 | C15 | C20 | 121.5° | 119.7° |
| C15 | C16 | C17 | 118.9° | 119.8° |
| C15 | C16 | F01 | 121.9° | 120.1° |
| C15 | C20 | C19 | 119.7° | 119.9° |
| C15 | C20 | H22 | 120.2° | 120.0° |
| C17 | C16 | F01 | 119.2° | 120.1° |
| C16 | C17 | C18 | 119.1° | 120.1° |
| C16 | C17 | H20 | 120.5° | 119.9° |
| C17 | C18 | C19 | 121.7° | 120.3° |
| C17 | C18 | CL01 | 119.9° | 119.9° |
| C18 | C17 | H20 | 120.4° | 120.0° |
| C19 | C18 | CL01 | 118.4° | 119.8° |
| C18 | C19 | C20 | 119.1° | 120.2° |
| C18 | C19 | H21 | 120.5° | 119.9° |
| C20 | C19 | H21 | 120.4° | 119.9° |
| C19 | C20 | H22 | 120.1° | 120.1° |
| C23 | C22 | C24 | 104.6° | 109.5° |
| C22 | C23 | C30 | 105.9° | 109.5° |
| C23 | C22 | H24 | 110.4° | 109.5° |
| C22 | C23 | H26 | 110.4° | 109.5° |
| C22 | C23 | H25 | 110.4° | 109.5° |
| C22 | C24 | C25 | 121.3° | 119.9° |
| C22 | C24 | C29 | 117.4° | 120.0° |
| C24 | C22 | H24 | 110.5° | 109.5° |
| C23 | C30 | O03 | 119.0° | 120.0° |
| C30 | C23 | H26 | 110.4° | 109.4° |
| C30 | C23 | H25 | 110.4° | 109.4° |
| C25 | C24 | C29 | 121.3° | 120.1° |
| C24 | C25 | C26 | 119.3° | 120.0° |
| C24 | C25 | H27 | 120.3° | 120.0° |
| C24 | C29 | C28 | 119.2° | 120.0° |
| C24 | C29 | H29 | 120.4° | 120.0° |
| C25 | C26 | C27 | 119.5° | 120.0° |
| C26 | C25 | H27 | 120.4° | 120.0° |
| C25 | C26 | H28 | 120.3° | 120.0° |
| C26 | C27 | C28 | 120.5° | 120.0° |
| C26 | C27 | F02 | 119.7° | 120.0° |
| C27 | C26 | H28 | 120.2° | 120.0° |
| C28 | C27 | F02 | 119.7° | 120.0° |
| C27 | C28 | C29 | 120.2° | 119.9° |
| C27 | C28 | CL02 | 120.9° | 120.1° |
| C29 | C28 | CL02 | 119.0° | 120.0° |
| C28 | C29 | H29 | 120.4° | 120.0° |
| C32 | C31 | C36 | 119.8° | 120.1° |
| C31 | C32 | C33 | 121.3° | 120.1° |
| C32 | C31 | H32 | 120.1° | 120.0° |
| C31 | C32 | H33 | 119.4° | 119.9° |
| C31 | C36 | C35 | 121.9° | 119.9° |
| C31 | C36 | C37 | 118.9° | 120.0° |
| C36 | C31 | H32 | 120.1° | 119.9° |
| C32 | C33 | C34 | 120.4° | 120.1° |
| C33 | C32 | H33 | 119.4° | 120.0° |
| C33 | C34 | C35 | 118.2° | 120.0° |
| C34 | C35 | C36 | 118.4° | 119.8° |
| C34 | C35 | H34 | 120.8° | 120.1° |
| C35 | C36 | C37 | 119.1° | 120.0° |
| C36 | C35 | H34 | 120.8° | 120.0° |
| C36 | C37 | C44 | 114.8° | 120.1° |
| C36 | C37 | C48 | 124.0° | 120.1° |
| C44 | C37 | C48 | 121.1° | 119.9° |
| C37 | C44 | C45 | 119.6° | 119.8° |
| C37 | C44 | H39 | 120.2° | 120.1° |
| C37 | C48 | C47 | 119.3° | 120.1° |
| C37 | C48 | F03 | 118.8° | 120.0° |
| C39 | C38 | O04 | 124.6° | 120.0° |
| C38 | C39 | C40 | 113.6° | 120.3° |
| C38 | C39 | C43 | 127.8° | 120.3° |
| C40 | C39 | C43 | 118.5° | 119.4° |
| C39 | C40 | H36 | 119.6° | 119.8° |
| C39 | C43 | C42 | 119.5° | 119.0° |
| C39 | C43 | C70 | 118.3° | 120.5° |
| C42 | C41 | O05 | 121.5° | 119.7° |
| C41 | C42 | C43 | 120.2° | 119.5° |
| C41 | C42 | H38 | 119.9° | 120.3° |
| C42 | C43 | C70 | 122.2° | 120.5° |
| C43 | C42 | H38 | 119.9° | 120.2° |
| C43 | C70 | F04 | 109.9° | 109.5° |
| C43 | C70 | F05 | 108.1° | 109.4° |
| C43 | C70 | F06 | 110.0° | 109.5° |
| C44 | C45 | C46 | 120.4° | 119.9° |
| C44 | C45 | C49 | 117.3° | 120.0° |
| C45 | C44 | H39 | 120.2° | 120.1° |
| C46 | C45 | C49 | 122.3° | 120.1° |
| C45 | C46 | C47 | 119.4° | 120.1° |
| C45 | C46 | H40 | 120.3° | 119.9° |
| C45 | C49 | O06 | 121.2° | 120.0° |
| C46 | C47 | C48 | 120.3° | 120.2° |
| C47 | C46 | H40 | 120.3° | 119.9° |
| C46 | C47 | H41 | 119.8° | 119.9° |
| C47 | C48 | F03 | 121.9° | 119.9° |
| C48 | C47 | H41 | 119.9° | 119.9° |
| C50 | C51 | O07 | 112.8° | 109.5° |
| C51 | C50 | H44 | 108.8° | 109.5° |
| C51 | C50 | H43 | 108.7° | 109.4° |
| C50 | C51 | H46 | 108.6° | 109.4° |
| C50 | C51 | H45 | 108.6° | 109.4° |
| C51 | O07 | C52 | 116.8° | 114.0° |
| O07 | C51 | H46 | 108.6° | 109.5° |
| O07 | C51 | H45 | 108.6° | 109.5° |
| C53 | C52 | O07 | 107.6° | 109.5° |
| C52 | C53 | O08 | 112.8° | 109.4° |
| C53 | C52 | H47 | 110.0° | 109.4° |
| C53 | C52 | H48 | 110.0° | 109.5° |
| C52 | C53 | H49 | 108.6° | 109.5° |
| C52 | C53 | H50 | 108.7° | 109.5° |
| O07 | C52 | H47 | 109.9° | 109.5° |
| O07 | C52 | H48 | 109.9° | 109.5° |
| C53 | O08 | C54 | 112.7° | 114.0° |
| O08 | C53 | H49 | 108.6° | 109.5° |
| O08 | C53 | H50 | 108.6° | 109.5° |
| C55 | C54 | O08 | 112.3° | 109.4° |
| C54 | C55 | O09 | 112.9° | 109.4° |
| C55 | C54 | H52 | 108.7° | 109.5° |
| C55 | C54 | H51 | 108.7° | 109.5° |
| C54 | C55 | H53 | 108.6° | 109.5° |
| C54 | C55 | H54 | 108.6° | 109.5° |
| O08 | C54 | H52 | 108.8° | 109.5° |
| O08 | C54 | H51 | 108.8° | 109.5° |
| C55 | O09 | C56 | 117.1° | 114.0° |
| O09 | C55 | H53 | 108.6° | 109.5° |
| O09 | C55 | H54 | 108.6° | 109.5° |
| C57 | C56 | O09 | 113.8° | 109.5° |
| C56 | C57 | O10 | 108.7° | 109.5° |
| C57 | C56 | H56 | 108.4° | 109.5° |
| C57 | C56 | H55 | 108.4° | 109.5° |
| C56 | C57 | H58 | 109.7° | 109.5° |
| C56 | C57 | H57 | 109.7° | 109.5° |
| O09 | C56 | H56 | 108.4° | 109.5° |
| O09 | C56 | H55 | 108.4° | 109.5° |
| C57 | O10 | C58 | 115.3° | 114.0° |
| O10 | C57 | H58 | 109.7° | 109.4° |
| O10 | C57 | H57 | 109.7° | 109.5° |
| C59 | C58 | O10 | 111.0° | 109.4° |
| C58 | C59 | O11 | 109.9° | 109.5° |
| C59 | C58 | H59 | 109.1° | 109.5° |
| C59 | C58 | H60 | 109.1° | 109.5° |
| C58 | C59 | H61 | 109.3° | 109.4° |
| C58 | C59 | H62 | 109.4° | 109.5° |
| O10 | C58 | H59 | 109.1° | 109.5° |
| O10 | C58 | H60 | 109.1° | 109.5° |
| C59 | O11 | C60 | 115.6° | 114.0° |
| O11 | C59 | H61 | 109.4° | 109.5° |
| O11 | C59 | H62 | 109.4° | 109.5° |
| C61 | C60 | O11 | 107.1° | 109.5° |
| C60 | C61 | O12 | 107.3° | 109.4° |
| C61 | C60 | H64 | 110.1° | 109.5° |
| C61 | C60 | H63 | 110.1° | 109.5° |
| C60 | C61 | H65 | 110.0° | 109.5° |
| C60 | C61 | H66 | 110.0° | 109.5° |
| O11 | C60 | H64 | 110.1° | 109.4° |
| O11 | C60 | H63 | 110.1° | 109.4° |
| C61 | O12 | C62 | 111.5° | 114.0° |
| O12 | C61 | H65 | 110.0° | 109.5° |
| O12 | C61 | H66 | 110.0° | 109.4° |
| C63 | C62 | O12 | 108.6° | 109.4° |
| C62 | C63 | O13 | 110.1° | 109.5° |
| C63 | C62 | H68 | 109.7° | 109.5° |
| C63 | C62 | H67 | 109.7° | 109.5° |
| C62 | C63 | H70 | 109.3° | 109.4° |
| C62 | C63 | H69 | 109.3° | 109.5° |
| O12 | C62 | H68 | 109.7° | 109.4° |
| O12 | C62 | H67 | 109.7° | 109.5° |
| C63 | O13 | C64 | 114.5° | 114.0° |
| O13 | C63 | H70 | 109.3° | 109.5° |
| O13 | C63 | H69 | 109.3° | 109.5° |
| C65 | C64 | O13 | 111.8° | 109.5° |
| C64 | C65 | O14 | 111.2° | 109.4° |
| C65 | C64 | H72 | 108.9° | 109.5° |
| C65 | C64 | H71 | 108.9° | 109.5° |
| C64 | C65 | H74 | 109.0° | 109.5° |
| C64 | C65 | H73 | 109.0° | 109.4° |
| O13 | C64 | H72 | 108.9° | 109.5° |
| O13 | C64 | H71 | 108.9° | 109.5° |
| C65 | O14 | C66 | 113.7° | 114.0° |
| O14 | C65 | H74 | 109.0° | 109.5° |
| O14 | C65 | H73 | 109.0° | 109.4° |
| C67 | C66 | O14 | 109.2° | 109.5° |
| C66 | C67 | O15 | 108.0° | 109.5° |
| C67 | C66 | H76 | 109.5° | 109.5° |
| C67 | C66 | H75 | 109.5° | 109.5° |
| C66 | C67 | H78 | 109.9° | 109.5° |
| C66 | C67 | H77 | 109.8° | 109.5° |
| O14 | C66 | H76 | 109.6° | 109.5° |
| O14 | C66 | H75 | 109.6° | 109.5° |
| C67 | O15 | C68 | 115.2° | 114.0° |
| O15 | C67 | H78 | 109.8° | 109.5° |
| O15 | C67 | H77 | 109.8° | 109.5° |
| C69 | C68 | O15 | 110.0° | 109.5° |
| C69 | C68 | H79 | 109.4° | 109.5° |
| C69 | C68 | H80 | 109.3° | 109.5° |
| C68 | C69 | H82 | 109.0° | 109.4° |
| C68 | C69 | H81 | 108.9° | 109.5° |
| O15 | C68 | H79 | 109.3° | 109.4° |
| O15 | C68 | H80 | 109.3° | 109.4° |
| F04 | C70 | F05 | 109.9° | 109.5° |
| F04 | C70 | F06 | 109.0° | 109.5° |
| F05 | C70 | F06 | 110.0° | 109.4° |
| H26 | C23 | H25 | 109.5° | 109.4° |
| H02 | C01 | H01 | 109.4° | 109.5° |
| H05 | C03 | H04 | 109.5° | 109.4° |
| H05 | C03 | H06 | 109.4° | 109.5° |
| H04 | C03 | H06 | 109.5° | 109.4° |
| H09 | C04 | H07 | 109.5° | 109.5° |
| H09 | C04 | H08 | 109.4° | 109.5° |
| H07 | C04 | H08 | 109.5° | 109.5° |
| H12 | C06 | H13 | 109.5° | 109.5° |
| H12 | C06 | H11 | 109.5° | 109.5° |
| H13 | C06 | H11 | 109.5° | 109.4° |
| H15 | C07 | H14 | 109.5° | 109.5° |
| H44 | C50 | H43 | 109.5° | 109.4° |
| H46 | C51 | H45 | 109.5° | 109.4° |
| H47 | C52 | H48 | 109.5° | 109.4° |
| H49 | C53 | H50 | 109.5° | 109.5° |
| H52 | C54 | H51 | 109.5° | 109.5° |
| H53 | C55 | H54 | 109.5° | 109.5° |
| H56 | C56 | H55 | 109.5° | 109.4° |
| H58 | C57 | H57 | 109.4° | 109.4° |
| H59 | C58 | H60 | 109.5° | 109.5° |
| H61 | C59 | H62 | 109.5° | 109.5° |
| H64 | C60 | H63 | 109.4° | 109.5° |
| H65 | C61 | H66 | 109.5° | 109.5° |
| H68 | C62 | H67 | 109.5° | 109.5° |
| H70 | C63 | H69 | 109.5° | 109.5° |
| H72 | C64 | H71 | 109.4° | 109.4° |
| H74 | C65 | H73 | 109.5° | 109.5° |
| H76 | C66 | H75 | 109.4° | 109.5° |
| H78 | C67 | H77 | 109.4° | 109.5° |
| H79 | C68 | H80 | 109.5° | 109.5° |
| H82 | C69 | H81 | 109.5° | 109.5° |
| H30 | N05 | H31 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N01 | C07 | C33 | 133.6° | 123.9° |
| N01 | C01 | C02 | N02 | 58.8° | 58.4° |
| N01 | C01 | C02 | H02 | 120.2° | 120.0° |
| N01 | C01 | C02 | H01 | 120.2° | 120.0° |
| N01 | C01 | C02 | C03 | 178.3° | 178.4° |
| C01 | N01 | C07 | C05 | 57.4° | 59.3° |
| C01 | N01 | C33 | C32 | 22.9° | 60.0° |
| C01 | N01 | C33 | C34 | 160.7° | 120.0° |
| N01 | C01 | H02 | H01 | 119.4° | 120.1° |
| N01 | C01 | C02 | H03 | 60.7° | 61.6° |
| C01 | N01 | C07 | H15 | 177.6° | 60.6° |
| C01 | N01 | C07 | H14 | 62.9° | 179.3° |
| N01 | C07 | C05 | N02 | 57.3° | 58.4° |
| C07 | N01 | C01 | C02 | 58.1° | 59.4° |
| N01 | C07 | C05 | C06 | 179.6° | 178.3° |
| N01 | C07 | C05 | H15 | 120.2° | 119.9° |
| N01 | C07 | C05 | H14 | 120.3° | 120.0° |
| C07 | N01 | C33 | C32 | 106.9° | 63.9° |
| C07 | N01 | C33 | C34 | 69.5° | 116.2° |
| C07 | N01 | C01 | H02 | 62.1° | 179.3° |
| C07 | N01 | C01 | H01 | 178.3° | 60.6° |
| N01 | C07 | C05 | H10 | 62.2° | 61.7° |
| N01 | C07 | H15 | H14 | 119.2° | 120.1° |
| N01 | C33 | C34 | N06 | 5.6° | 0.1° |
| C33 | N01 | C01 | C02 | 171.3° | 176.8° |
| C33 | N01 | C07 | C05 | 169.0° | 176.8° |
| N01 | C33 | C32 | C31 | 178.7° | 180.0° |
| N01 | C33 | C32 | C34 | 176.3° | 180.0° |
| N01 | C33 | C34 | C35 | 179.3° | 180.0° |
| C33 | N01 | C01 | H02 | 68.5° | 56.8° |
| C33 | N01 | C01 | H01 | 51.1° | 63.2° |
| C33 | N01 | C07 | H15 | 48.8° | 63.3° |
| C33 | N01 | C07 | H14 | 70.7° | 56.8° |
| N01 | C33 | C32 | H33 | 1.3° | 0.0° |
| C02 | N02 | C04 | C05 | 121.1° | 123.8° |
| N02 | C02 | C01 | C03 | 122.9° | 119.9° |
| N02 | C02 | C01 | H03 | 119.5° | 120.0° |
| N02 | C02 | C03 | H03 | 120.6° | 120.1° |
| C02 | N02 | C05 | C06 | 178.0° | 179.3° |
| C02 | N02 | C05 | C07 | 57.0° | 59.3° |
| N02 | C02 | C01 | H02 | 61.4° | 178.4° |
| N02 | C02 | C01 | H01 | 179.0° | 61.6° |
| N02 | C02 | C03 | H05 | 180.0° | 179.9° |
| N02 | C02 | C03 | H04 | 60.0° | 60.2° |
| N02 | C02 | C03 | H06 | 60.0° | 59.9° |
| C02 | N02 | C04 | H09 | 180.0° | 60.0° |
| C02 | N02 | C04 | H07 | 60.0° | 180.0° |
| C02 | N02 | C04 | H08 | 60.0° | 60.0° |
| C02 | N02 | C05 | H10 | 62.0° | 60.6° |
| C04 | N02 | C02 | C01 | 179.4° | 176.8° |
| C04 | N02 | C02 | C03 | 59.7° | 56.9° |
| C04 | N02 | C05 | C06 | 60.1° | 56.9° |
| C04 | N02 | C05 | C07 | 178.9° | 176.8° |
| C04 | N02 | C02 | H03 | 60.5° | 63.2° |
| N02 | C04 | H09 | H07 | 120.0° | 120.1° |
| N02 | C04 | H09 | H08 | 120.0° | 120.0° |
| N02 | C04 | H07 | H08 | 120.0° | 120.0° |
| C04 | N02 | C05 | H10 | 59.9° | 63.2° |
| C05 | N02 | C02 | C01 | 57.8° | 59.4° |
| C05 | N02 | C02 | C03 | 178.7° | 179.3° |
| N02 | C05 | C06 | C07 | 122.2° | 119.9° |
| N02 | C05 | C06 | H10 | 120.4° | 120.1° |
| N02 | C05 | C07 | H10 | 119.5° | 120.0° |
| C05 | N02 | C02 | H03 | 61.2° | 60.6° |
| C05 | N02 | C04 | H09 | 58.9° | 63.8° |
| C05 | N02 | C04 | H07 | 178.9° | 56.2° |
| C05 | N02 | C04 | H08 | 61.1° | 176.2° |
| N02 | C05 | C06 | H12 | 180.0° | 59.9° |
| N02 | C05 | C06 | H13 | 60.0° | 60.2° |
| N02 | C05 | C06 | H11 | 60.0° | 179.9° |
| N02 | C05 | C07 | H15 | 177.5° | 61.5° |
| N02 | C05 | C07 | H14 | 63.0° | 178.4° |
| C11 | N03 | C14 | H19 | 180.0° | 179.8° |
| N03 | C11 | C10 | C09 | 0.6° | 0.0° |
| N03 | C11 | C10 | C12 | 179.5° | 179.7° |
| N03 | C11 | C12 | C13 | 0.2° | 0.2° |
| N03 | C11 | C12 | C15 | 178.1° | 179.8° |
| C11 | N03 | C14 | C13 | 0.2° | 0.4° |
| N03 | C11 | C10 | H17 | 179.4° | 179.7° |
| C11 | N03 | C14 | H18 | 179.8° | 179.9° |
| C14 | N03 | C11 | C10 | 179.6° | 179.9° |
| C14 | N03 | C11 | C12 | 0.1° | 0.4° |
| N03 | C14 | C13 | C12 | 0.3° | 0.2° |
| N03 | C14 | C13 | H18 | 180.0° | 179.8° |
| N03 | C14 | C13 | C21 | 178.1° | 179.8° |
| C21 | N04 | C22 | H23 | 180.0° | 180.0° |
| N04 | C21 | C13 | C12 | 178.3° | 180.0° |
| N04 | C21 | C13 | C14 | 3.5° | 0.0° |
| N04 | C21 | C13 | O02 | 177.5° | 179.9° |
| C21 | N04 | C22 | C23 | 143.5° | 158.4° |
| C21 | N04 | C22 | C24 | 101.9° | 81.6° |
| C21 | N04 | C22 | H24 | 20.1° | 38.4° |
| C22 | N04 | C21 | C13 | 178.6° | 175.3° |
| C22 | N04 | C21 | O02 | 1.1° | 4.6° |
| N04 | C22 | C23 | C24 | 117.1° | 120.0° |
| N04 | C22 | C23 | H24 | 124.1° | 120.0° |
| N04 | C22 | C24 | H24 | 122.5° | 120.0° |
| N04 | C22 | C23 | C30 | 66.5° | 64.8° |
| N04 | C22 | C24 | C25 | 167.7° | 140.0° |
| N04 | C22 | C24 | C29 | 15.3° | 40.3° |
| N04 | C22 | C23 | H26 | 52.9° | 55.1° |
| N04 | C22 | C23 | H25 | 174.1° | 175.1° |
| N05 | C30 | C23 | C22 | 113.1° | 174.4° |
| N05 | C30 | C23 | O03 | 178.2° | 180.0° |
| N05 | C30 | C23 | H26 | 6.3° | 54.4° |
| N05 | C30 | C23 | H25 | 127.4° | 65.5° |
| C30 | N05 | H30 | H31 | 180.0° | 180.0° |
| C34 | N06 | C38 | H35 | 180.0° | 180.0° |
| N06 | C34 | C33 | C32 | 178.0° | 180.0° |
| N06 | C34 | C33 | C35 | 175.1° | 180.0° |
| N06 | C34 | C35 | C36 | 177.4° | 180.0° |
| C34 | N06 | C38 | C39 | 174.3° | 175.1° |
| C34 | N06 | C38 | O04 | 1.9° | 4.8° |
| N06 | C34 | C35 | H34 | 2.6° | 0.0° |
| C38 | N06 | C34 | C33 | 116.2° | 160.4° |
| C38 | N06 | C34 | C35 | 68.5° | 19.6° |
| N06 | C38 | C39 | O04 | 176.0° | 179.9° |
| N06 | C38 | C39 | C40 | 45.2° | 4.7° |
| N06 | C38 | C39 | C43 | 138.3° | 175.6° |
| C40 | N07 | C41 | H37 | 180.0° | 180.0° |
| N07 | C40 | C39 | C38 | 178.9° | 180.0° |
| N07 | C40 | C39 | H36 | 180.0° | 179.9° |
| N07 | C40 | C39 | C43 | 2.0° | 0.3° |
| C40 | N07 | C41 | C42 | 0.9° | 0.2° |
| C40 | N07 | C41 | O05 | 180.0° | 180.0° |
| C41 | N07 | C40 | C39 | 1.6° | 0.0° |
| N07 | C41 | C42 | O05 | 179.1° | 179.8° |
| N07 | C41 | C42 | C43 | 0.6° | 0.2° |
| C41 | N07 | C40 | H36 | 178.4° | 180.0° |
| N07 | C41 | C42 | H38 | 179.3° | 179.7° |
| C49 | N08 | C50 | H42 | 180.0° | 179.9° |
| N08 | C49 | C45 | C44 | 35.0° | 180.0° |
| N08 | C49 | C45 | C46 | 144.6° | 0.1° |
| N08 | C49 | C45 | O06 | 178.1° | 180.0° |
| C49 | N08 | C50 | C51 | 154.9° | 180.0° |
| C49 | N08 | C50 | H44 | 34.5° | 59.9° |
| C49 | N08 | C50 | H43 | 84.6° | 60.1° |
| C50 | N08 | C49 | C45 | 177.1° | 179.9° |
| C50 | N08 | C49 | O06 | 1.0° | 0.0° |
| N08 | C50 | C51 | H44 | 120.4° | 120.1° |
| N08 | C50 | C51 | H43 | 120.4° | 119.9° |
| N08 | C50 | C51 | O07 | 90.5° | 64.9° |
| N08 | C50 | H44 | H43 | 118.7° | 120.0° |
| N08 | C50 | C51 | H46 | 149.1° | 175.0° |
| N08 | C50 | C51 | H45 | 30.1° | 55.1° |
| C08 | N09 | C69 | H83 | 180.0° | 180.0° |
| N09 | C08 | C09 | O01 | 179.3° | 180.0° |
| N09 | C08 | C09 | C10 | 15.7° | 180.0° |
| C08 | N09 | C69 | C68 | 170.9° | 180.0° |
| N09 | C08 | C09 | H16 | 164.2° | 0.0° |
| C08 | N09 | C69 | H82 | 68.7° | 60.0° |
| C08 | N09 | C69 | H81 | 50.7° | 60.0° |
| C69 | N09 | C08 | C09 | 177.0° | 180.0° |
| C69 | N09 | C08 | O01 | 2.3° | 0.0° |
| N09 | C69 | C68 | H82 | 120.3° | 120.0° |
| N09 | C69 | C68 | H81 | 120.3° | 120.0° |
| N09 | C69 | C68 | O15 | 165.7° | 65.0° |
| N09 | C69 | C68 | H79 | 45.6° | 175.0° |
| N09 | C69 | C68 | H80 | 74.2° | 55.0° |
| N09 | C69 | H82 | H81 | 119.0° | 120.0° |
| C01 | C02 | C03 | H03 | 117.6° | 120.1° |
| C02 | C01 | H02 | H01 | 119.4° | 120.1° |
| C01 | C02 | C03 | H05 | 58.2° | 60.0° |
| C01 | C02 | C03 | H04 | 178.2° | 180.0° |
| C01 | C02 | C03 | H06 | 61.8° | 60.0° |
| C03 | C02 | C01 | H02 | 61.5° | 61.7° |
| C03 | C02 | C01 | H01 | 58.1° | 58.3° |
| C02 | C03 | H05 | H04 | 120.0° | 120.0° |
| C02 | C03 | H05 | H06 | 120.0° | 120.1° |
| C02 | C03 | H04 | H06 | 120.0° | 120.1° |
| C06 | C05 | C07 | H10 | 117.4° | 120.0° |
| C05 | C06 | H12 | H13 | 120.0° | 120.0° |
| C05 | C06 | H12 | H11 | 120.0° | 120.0° |
| C05 | C06 | H13 | H11 | 120.0° | 120.0° |
| C06 | C05 | C07 | H15 | 59.4° | 58.4° |
| C06 | C05 | C07 | H14 | 60.1° | 61.7° |
| C07 | C05 | C06 | H12 | 57.8° | 60.0° |
| C07 | C05 | C06 | H13 | 62.2° | 179.9° |
| C07 | C05 | C06 | H11 | 177.8° | 60.0° |
| C05 | C07 | H15 | H14 | 119.2° | 120.1° |
| C08 | C09 | C10 | H16 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 178.4° | 180.0° |
| C08 | C09 | C10 | H17 | 1.6° | 0.3° |
| C09 | C08 | N09 | H83 | 3.0° | 0.0° |
| O01 | C08 | C09 | C10 | 163.5° | 0.0° |
| O01 | C08 | C09 | H16 | 16.5° | 180.0° |
| O01 | C08 | N09 | H83 | 177.7° | 180.0° |
| C09 | C10 | C11 | H17 | 180.0° | 179.7° |
| C09 | C10 | C11 | C12 | 178.9° | 179.7° |
| C10 | C11 | C12 | C13 | 179.8° | 180.0° |
| C10 | C11 | C12 | C15 | 2.3° | 0.0° |
| C11 | C10 | C09 | H16 | 1.6° | 0.0° |
| C10 | C11 | N03 | H19 | 0.3° | 0.0° |
| C11 | C12 | C13 | C15 | 177.8° | 180.0° |
| C11 | C12 | C13 | C14 | 0.3° | 0.0° |
| C11 | C12 | C13 | C21 | 178.1° | 180.0° |
| C11 | C12 | C15 | C16 | 114.6° | 90.0° |
| C11 | C12 | C15 | C20 | 65.6° | 89.7° |
| C12 | C11 | C10 | H17 | 1.1° | 0.0° |
| C12 | C11 | N03 | H19 | 179.9° | 179.8° |
| C12 | C13 | C14 | C21 | 178.4° | 180.0° |
| C13 | C12 | C15 | C16 | 67.9° | 90.0° |
| C13 | C12 | C15 | C20 | 111.9° | 90.2° |
| C12 | C13 | C21 | O02 | 4.2° | 0.1° |
| C12 | C13 | C14 | H18 | 179.7° | 180.0° |
| C15 | C12 | C13 | C14 | 178.1° | 180.0° |
| C15 | C12 | C13 | C21 | 0.3° | 0.0° |
| C12 | C15 | C16 | C20 | 179.8° | 179.8° |
| C12 | C15 | C16 | C17 | 179.9° | 180.0° |
| C12 | C15 | C16 | F01 | 0.3° | 0.0° |
| C12 | C15 | C20 | C19 | 179.7° | 179.8° |
| C12 | C15 | C20 | H22 | 0.2° | 0.0° |
| C14 | C13 | C21 | O02 | 174.0° | 180.0° |
| C13 | C14 | N03 | H19 | 179.9° | 179.8° |
| C21 | C13 | C14 | H18 | 1.9° | 0.0° |
| C13 | C21 | N04 | H23 | 1.4° | 4.7° |
| C15 | C16 | C17 | F01 | 179.6° | 180.0° |
| C15 | C16 | C17 | C18 | 0.0° | 0.1° |
| C16 | C15 | C20 | C19 | 0.0° | 0.5° |
| C15 | C16 | C17 | H20 | 180.0° | 180.0° |
| C16 | C15 | C20 | H22 | 180.0° | 179.7° |
| C20 | C15 | C16 | C17 | 0.1° | 0.2° |
| C20 | C15 | C16 | F01 | 179.5° | 179.8° |
| C15 | C20 | C19 | C18 | 0.3° | 0.5° |
| C15 | C20 | C19 | H22 | 180.0° | 179.8° |
| C15 | C20 | C19 | H21 | 179.7° | 179.8° |
| C16 | C17 | C18 | H20 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.2° | 0.0° |
| C16 | C17 | C18 | CL01 | 179.9° | 180.0° |
| F01 | C16 | C17 | C18 | 179.6° | 180.0° |
| F01 | C16 | C17 | H20 | 0.5° | 0.1° |
| C17 | C18 | C19 | CL01 | 179.8° | 180.0° |
| C17 | C18 | C19 | C20 | 0.4° | 0.2° |
| C17 | C18 | C19 | H21 | 179.6° | 180.0° |
| C18 | C19 | C20 | H21 | 180.0° | 179.7° |
| C19 | C18 | C17 | H20 | 179.8° | 179.9° |
| C18 | C19 | C20 | H22 | 179.8° | 179.7° |
| CL01 | C18 | C19 | C20 | 179.8° | 179.8° |
| CL01 | C18 | C17 | H20 | 0.1° | 0.1° |
| CL01 | C18 | C19 | H21 | 0.2° | 0.0° |
| O02 | C21 | N04 | H23 | 178.9° | 175.4° |
| C23 | C22 | C24 | H24 | 118.7° | 120.0° |
| C22 | C23 | C30 | H26 | 119.4° | 120.0° |
| C22 | C23 | C30 | H25 | 119.4° | 120.1° |
| C23 | C22 | C24 | C25 | 73.6° | 100.0° |
| C23 | C22 | C24 | C29 | 103.4° | 79.7° |
| C22 | C23 | C30 | O03 | 65.1° | 5.6° |
| C22 | C23 | H26 | H25 | 121.7° | 120.1° |
| C23 | C22 | N04 | H23 | 36.5° | 21.6° |
| C24 | C22 | C23 | C30 | 176.4° | 175.2° |
| C22 | C24 | C25 | C29 | 176.8° | 179.7° |
| C22 | C24 | C25 | C26 | 178.0° | 180.0° |
| C22 | C24 | C29 | C28 | 178.1° | 179.7° |
| C24 | C22 | C23 | H26 | 64.2° | 64.8° |
| C24 | C22 | C23 | H25 | 56.9° | 55.2° |
| C22 | C24 | C25 | H27 | 2.0° | 0.0° |
| C22 | C24 | C29 | H29 | 1.9° | 0.0° |
| C24 | C22 | N04 | H23 | 78.1° | 98.4° |
| C30 | C23 | C22 | H24 | 57.5° | 55.1° |
| C30 | C23 | H26 | H25 | 121.6° | 119.9° |
| C23 | C30 | N05 | H30 | 178.1° | 0.0° |
| C23 | C30 | N05 | H31 | 1.9° | 180.0° |
| C24 | C25 | C26 | H27 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.7° | 0.0° |
| C25 | C24 | C29 | C28 | 1.1° | 0.6° |
| C25 | C24 | C22 | H24 | 45.2° | 20.0° |
| C24 | C25 | C26 | H28 | 179.3° | 180.0° |
| C25 | C24 | C29 | H29 | 178.9° | 179.7° |
| C29 | C24 | C25 | C26 | 1.2° | 0.3° |
| C24 | C29 | C28 | C27 | 0.6° | 0.5° |
| C24 | C29 | C28 | H29 | 180.0° | 179.7° |
| C24 | C29 | C28 | CL02 | 179.5° | 179.7° |
| C29 | C24 | C22 | H24 | 137.9° | 160.2° |
| C29 | C24 | C25 | H27 | 178.8° | 179.7° |
| C25 | C26 | C27 | H28 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.2° | 0.0° |
| C25 | C26 | C27 | F02 | 180.0° | 179.9° |
| C26 | C27 | C28 | F02 | 179.8° | 180.0° |
| C26 | C27 | C28 | C29 | 0.2° | 0.3° |
| C26 | C27 | C28 | CL02 | 179.8° | 180.0° |
| C27 | C26 | C25 | H27 | 179.3° | 180.0° |
| C27 | C28 | C29 | CL02 | 180.0° | 179.7° |
| C28 | C27 | C26 | H28 | 179.8° | 180.0° |
| C27 | C28 | C29 | H29 | 179.4° | 179.7° |
| F02 | C27 | C28 | C29 | 180.0° | 179.7° |
| F02 | C27 | C28 | CL02 | 0.1° | 0.1° |
| F02 | C27 | C26 | H28 | 0.0° | 0.0° |
| CL02 | C28 | C29 | H29 | 0.6° | 0.0° |
| O03 | C30 | C23 | H26 | 175.5° | 125.6° |
| O03 | C30 | C23 | H25 | 54.4° | 114.5° |
| O03 | C30 | N05 | H30 | 0.0° | 180.0° |
| O03 | C30 | N05 | H31 | 180.0° | 0.0° |
| C32 | C31 | C36 | H32 | 180.0° | 179.7° |
| C31 | C32 | C33 | H33 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 2.4° | 0.0° |
| C32 | C31 | C36 | C35 | 1.0° | 0.0° |
| C32 | C31 | C36 | C37 | 176.5° | 180.0° |
| C36 | C31 | C32 | C33 | 0.5° | 0.0° |
| C31 | C36 | C35 | C34 | 0.5° | 0.0° |
| C31 | C36 | C35 | C37 | 175.5° | 180.0° |
| C31 | C36 | C37 | C44 | 133.9° | 50.1° |
| C31 | C36 | C37 | C48 | 41.0° | 129.7° |
| C36 | C31 | C32 | H33 | 179.5° | 180.0° |
| C31 | C36 | C35 | H34 | 179.4° | 179.9° |
| C32 | C33 | C34 | C35 | 2.8° | 0.0° |
| C33 | C32 | C31 | H32 | 179.5° | 179.7° |
| C33 | C34 | C35 | C36 | 1.4° | 0.0° |
| C34 | C33 | C32 | H33 | 177.5° | 180.0° |
| C33 | C34 | C35 | H34 | 178.6° | 180.0° |
| C33 | C34 | N06 | H35 | 63.8° | 19.6° |
| C34 | C35 | C36 | H34 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 176.0° | 180.0° |
| C35 | C34 | N06 | H35 | 111.6° | 160.4° |
| C35 | C36 | C37 | C44 | 41.7° | 130.0° |
| C35 | C36 | C37 | C48 | 143.4° | 50.3° |
| C35 | C36 | C31 | H32 | 179.0° | 179.7° |
| C36 | C37 | C44 | C48 | 175.1° | 179.8° |
| C36 | C37 | C44 | C45 | 178.3° | 180.0° |
| C36 | C37 | C48 | C47 | 177.9° | 179.8° |
| C36 | C37 | C48 | F03 | 4.3° | 0.0° |
| C37 | C36 | C31 | H32 | 3.5° | 0.3° |
| C37 | C36 | C35 | H34 | 4.0° | 0.0° |
| C36 | C37 | C44 | H39 | 1.7° | 0.0° |
| C37 | C44 | C45 | H39 | 180.0° | 180.0° |
| C37 | C44 | C45 | C46 | 1.6° | 0.1° |
| C37 | C44 | C45 | C49 | 178.7° | 180.0° |
| C44 | C37 | C48 | C47 | 3.2° | 0.5° |
| C44 | C37 | C48 | F03 | 179.0° | 179.7° |
| C48 | C37 | C44 | C45 | 3.2° | 0.2° |
| C37 | C48 | C47 | C46 | 1.5° | 0.5° |
| C37 | C48 | C47 | F03 | 177.7° | 179.8° |
| C48 | C37 | C44 | H39 | 176.8° | 179.8° |
| C37 | C48 | C47 | H41 | 178.5° | 179.7° |
| C38 | C39 | C40 | C43 | 176.9° | 179.7° |
| C38 | C39 | C43 | C42 | 178.1° | 180.0° |
| C38 | C39 | C43 | C70 | 2.0° | 0.0° |
| C38 | C39 | C40 | H36 | 1.1° | 0.0° |
| C39 | C38 | N06 | H35 | 5.8° | 4.9° |
| O04 | C38 | C39 | C40 | 130.8° | 175.2° |
| O04 | C38 | C39 | C43 | 45.7° | 4.5° |
| O04 | C38 | N06 | H35 | 178.1° | 175.2° |
| C40 | C39 | C43 | C42 | 1.7° | 0.3° |
| C40 | C39 | C43 | C70 | 178.3° | 179.7° |
| C39 | C40 | N07 | H37 | 178.4° | 180.0° |
| C39 | C43 | C42 | C41 | 1.0° | 0.0° |
| C39 | C43 | C42 | C70 | 180.0° | 180.0° |
| C39 | C43 | C70 | F04 | 166.4° | 179.1° |
| C39 | C43 | C70 | F05 | 73.8° | 60.9° |
| C39 | C43 | C70 | F06 | 46.4° | 59.0° |
| C43 | C39 | C40 | H36 | 178.0° | 179.8° |
| C39 | C43 | C42 | H38 | 178.9° | 180.0° |
| C41 | C42 | C43 | H38 | 180.0° | 180.0° |
| C41 | C42 | C43 | C70 | 179.0° | 180.0° |
| C42 | C41 | N07 | H37 | 179.1° | 179.8° |
| O05 | C41 | C42 | C43 | 179.7° | 180.0° |
| O05 | C41 | C42 | H38 | 0.3° | 0.0° |
| O05 | C41 | N07 | H37 | 0.0° | 0.0° |
| C42 | C43 | C70 | F04 | 13.6° | 0.9° |
| C42 | C43 | C70 | F05 | 106.3° | 119.1° |
| C42 | C43 | C70 | F06 | 133.6° | 121.0° |
| C43 | C70 | F04 | F05 | 118.7° | 120.0° |
| C43 | C70 | F04 | F06 | 120.6° | 120.0° |
| C43 | C70 | F05 | F06 | 120.1° | 119.9° |
| C70 | C43 | C42 | H38 | 1.0° | 0.0° |
| C44 | C45 | C46 | C49 | 179.6° | 179.9° |
| C44 | C45 | C46 | C47 | 0.1° | 0.1° |
| C44 | C45 | C49 | O06 | 143.1° | 0.1° |
| C44 | C45 | C46 | H40 | 179.9° | 180.0° |
| C45 | C46 | C47 | H40 | 180.0° | 179.9° |
| C45 | C46 | C47 | C48 | 0.0° | 0.2° |
| C46 | C45 | C49 | O06 | 37.3° | 179.9° |
| C46 | C45 | C44 | H39 | 178.4° | 179.9° |
| C45 | C46 | C47 | H41 | 180.0° | 180.0° |
| C49 | C45 | C46 | C47 | 179.5° | 180.0° |
| C49 | C45 | C44 | H39 | 1.2° | 0.1° |
| C49 | C45 | C46 | H40 | 0.5° | 0.1° |
| C45 | C49 | N08 | H42 | 2.9° | 0.0° |
| C46 | C47 | C48 | H41 | 180.0° | 179.8° |
| C46 | C47 | C48 | F03 | 179.2° | 179.7° |
| C48 | C47 | C46 | H40 | 180.0° | 179.8° |
| F03 | C48 | C47 | H41 | 0.8° | 0.1° |
| O06 | C49 | N08 | H42 | 179.0° | 180.0° |
| C50 | C51 | O07 | H46 | 120.5° | 120.0° |
| C50 | C51 | O07 | H45 | 120.5° | 120.0° |
| C50 | C51 | O07 | C52 | 84.1° | 180.0° |
| C51 | C50 | H44 | H43 | 118.7° | 119.9° |
| C50 | C51 | H46 | H45 | 118.5° | 119.9° |
| C51 | C50 | N08 | H42 | 25.1° | 0.1° |
| C51 | O07 | C52 | C53 | 148.3° | 180.0° |
| O07 | C51 | C50 | H44 | 30.0° | 175.0° |
| O07 | C51 | C50 | H43 | 149.1° | 55.0° |
| O07 | C51 | H46 | H45 | 118.5° | 120.0° |
| C51 | O07 | C52 | H47 | 92.0° | 60.0° |
| C51 | O07 | C52 | H48 | 28.6° | 59.9° |
| C53 | C52 | O07 | H47 | 119.7° | 120.0° |
| C53 | C52 | O07 | H48 | 119.7° | 120.1° |
| C52 | C53 | O08 | H49 | 120.5° | 120.0° |
| C52 | C53 | O08 | H50 | 120.5° | 120.0° |
| C52 | C53 | O08 | C54 | 95.7° | 180.0° |
| C53 | C52 | H47 | H48 | 120.9° | 120.0° |
| C52 | C53 | H49 | H50 | 118.5° | 120.1° |
| O07 | C52 | C53 | O08 | 87.0° | 65.0° |
| C52 | O07 | C51 | H46 | 155.4° | 60.0° |
| C52 | O07 | C51 | H45 | 36.4° | 60.0° |
| O07 | C52 | H47 | H48 | 120.9° | 120.0° |
| O07 | C52 | C53 | H49 | 33.5° | 175.0° |
| O07 | C52 | C53 | H50 | 152.6° | 54.9° |
| C53 | O08 | C54 | C55 | 173.9° | 180.0° |
| O08 | C53 | C52 | H47 | 32.7° | 175.0° |
| O08 | C53 | C52 | H48 | 153.3° | 55.0° |
| O08 | C53 | H49 | H50 | 118.5° | 120.0° |
| C53 | O08 | C54 | H52 | 65.7° | 60.0° |
| C53 | O08 | C54 | H51 | 53.4° | 60.0° |
| C55 | C54 | O08 | H52 | 120.4° | 120.0° |
| C55 | C54 | O08 | H51 | 120.4° | 120.0° |
| C54 | C55 | O09 | H53 | 120.5° | 120.0° |
| C54 | C55 | O09 | H54 | 120.5° | 120.0° |
| C54 | C55 | O09 | C56 | 94.2° | 180.0° |
| C55 | C54 | H52 | H51 | 118.7° | 120.0° |
| C54 | C55 | H53 | H54 | 118.4° | 120.0° |
| O08 | C54 | C55 | O09 | 74.8° | 65.0° |
| C54 | O08 | C53 | H49 | 143.8° | 60.1° |
| C54 | O08 | C53 | H50 | 24.8° | 60.0° |
| O08 | C54 | H52 | H51 | 118.7° | 120.0° |
| O08 | C54 | C55 | H53 | 45.7° | 175.0° |
| O08 | C54 | C55 | H54 | 164.7° | 55.0° |
| C55 | O09 | C56 | C57 | 69.1° | 180.0° |
| O09 | C55 | C54 | H52 | 45.7° | 175.0° |
| O09 | C55 | C54 | H51 | 164.8° | 55.0° |
| O09 | C55 | H53 | H54 | 118.4° | 120.0° |
| C55 | O09 | C56 | H56 | 51.5° | 60.0° |
| C55 | O09 | C56 | H55 | 170.2° | 60.0° |
| C57 | C56 | O09 | H56 | 120.6° | 120.0° |
| C57 | C56 | O09 | H55 | 120.6° | 120.1° |
| C56 | C57 | O10 | H58 | 119.9° | 120.1° |
| C56 | C57 | O10 | H57 | 119.9° | 120.0° |
| C56 | C57 | O10 | C58 | 175.9° | 180.0° |
| C57 | C56 | H56 | H55 | 118.0° | 120.0° |
| C56 | C57 | H58 | H57 | 120.3° | 120.0° |
| O09 | C56 | C57 | O10 | 46.9° | 65.0° |
| C56 | O09 | C55 | H53 | 145.3° | 60.0° |
| C56 | O09 | C55 | H54 | 26.3° | 60.0° |
| O09 | C56 | H56 | H55 | 118.0° | 120.0° |
| O09 | C56 | C57 | H58 | 166.8° | 175.0° |
| O09 | C56 | C57 | H57 | 73.0° | 55.0° |
| C57 | O10 | C58 | C59 | 77.4° | 180.0° |
| O10 | C57 | C56 | H56 | 167.5° | 175.0° |
| O10 | C57 | C56 | H55 | 73.7° | 55.0° |
| O10 | C57 | H58 | H57 | 120.4° | 119.9° |
| C57 | O10 | C58 | H59 | 162.4° | 60.0° |
| C57 | O10 | C58 | H60 | 42.8° | 60.0° |
| C59 | C58 | O10 | H59 | 120.2° | 120.0° |
| C59 | C58 | O10 | H60 | 120.2° | 120.0° |
| C58 | C59 | O11 | H61 | 120.0° | 120.0° |
| C58 | C59 | O11 | H62 | 120.1° | 120.0° |
| C58 | C59 | O11 | C60 | 75.3° | 180.0° |
| C59 | C58 | H59 | H60 | 119.3° | 120.1° |
| C58 | C59 | H61 | H62 | 119.8° | 120.0° |
| O10 | C58 | C59 | O11 | 33.4° | 65.0° |
| C58 | O10 | C57 | H58 | 56.0° | 60.0° |
| C58 | O10 | C57 | H57 | 64.2° | 59.9° |
| O10 | C58 | H59 | H60 | 119.3° | 120.0° |
| O10 | C58 | C59 | H61 | 86.7° | 175.0° |
| O10 | C58 | C59 | H62 | 153.5° | 55.0° |
| C59 | O11 | C60 | C61 | 170.0° | 180.0° |
| O11 | C59 | C58 | H59 | 86.8° | 175.0° |
| O11 | C59 | C58 | H60 | 153.6° | 55.0° |
| O11 | C59 | H61 | H62 | 119.8° | 120.0° |
| C59 | O11 | C60 | H64 | 50.3° | 60.0° |
| C59 | O11 | C60 | H63 | 70.4° | 60.0° |
| C61 | C60 | O11 | H64 | 119.7° | 120.0° |
| C61 | C60 | O11 | H63 | 119.7° | 120.0° |
| C60 | C61 | O12 | H65 | 119.7° | 120.0° |
| C60 | C61 | O12 | H66 | 119.6° | 120.0° |
| C60 | C61 | O12 | C62 | 175.7° | 179.9° |
| C61 | C60 | H64 | H63 | 121.1° | 120.1° |
| C60 | C61 | H65 | H66 | 121.0° | 120.0° |
| O11 | C60 | C61 | O12 | 51.4° | 65.0° |
| C60 | O11 | C59 | H61 | 164.6° | 60.0° |
| C60 | O11 | C59 | H62 | 44.8° | 60.0° |
| O11 | C60 | H64 | H63 | 121.1° | 120.0° |
| O11 | C60 | C61 | H65 | 171.0° | 175.0° |
| O11 | C60 | C61 | H66 | 68.3° | 54.9° |
| C61 | O12 | C62 | C63 | 91.5° | 180.0° |
| O12 | C61 | C60 | H64 | 171.0° | 175.1° |
| O12 | C61 | C60 | H63 | 68.3° | 55.0° |
| O12 | C61 | H65 | H66 | 121.0° | 120.0° |
| C61 | O12 | C62 | H68 | 148.6° | 60.1° |
| C61 | O12 | C62 | H67 | 28.3° | 60.0° |
| C63 | C62 | O12 | H68 | 119.9° | 119.9° |
| C63 | C62 | O12 | H67 | 119.9° | 120.0° |
| C62 | C63 | O13 | H70 | 120.1° | 120.0° |
| C62 | C63 | O13 | H69 | 120.1° | 120.0° |
| C62 | C63 | O13 | C64 | 80.0° | 180.0° |
| C63 | C62 | H68 | H67 | 120.4° | 120.1° |
| C62 | C63 | H70 | H69 | 119.7° | 120.0° |
| O12 | C62 | C63 | O13 | 173.7° | 65.0° |
| C62 | O12 | C61 | H65 | 64.7° | 59.9° |
| C62 | O12 | C61 | H66 | 56.0° | 60.1° |
| O12 | C62 | H68 | H67 | 120.4° | 120.0° |
| O12 | C62 | C63 | H70 | 66.2° | 175.0° |
| O12 | C62 | C63 | H69 | 53.6° | 54.9° |
| C63 | O13 | C64 | C65 | 116.7° | 180.0° |
| O13 | C63 | C62 | H68 | 66.4° | 175.1° |
| O13 | C63 | C62 | H67 | 53.8° | 55.0° |
| O13 | C63 | H70 | H69 | 119.7° | 120.0° |
| C63 | O13 | C64 | H72 | 123.0° | 60.0° |
| C63 | O13 | C64 | H71 | 3.7° | 60.0° |
| C65 | C64 | O13 | H72 | 120.4° | 120.0° |
| C65 | C64 | O13 | H71 | 120.4° | 120.0° |
| C64 | C65 | O14 | H74 | 120.3° | 120.1° |
| C64 | C65 | O14 | H73 | 120.3° | 119.9° |
| C64 | C65 | O14 | C66 | 82.9° | 180.0° |
| C65 | C64 | H72 | H71 | 119.0° | 120.0° |
| C64 | C65 | H74 | H73 | 119.2° | 120.0° |
| O13 | C64 | C65 | O14 | 89.1° | 64.9° |
| C64 | O13 | C63 | H70 | 40.1° | 60.1° |
| C64 | O13 | C63 | H69 | 159.9° | 60.0° |
| O13 | C64 | H72 | H71 | 118.9° | 120.0° |
| O13 | C64 | C65 | H74 | 31.2° | 175.0° |
| O13 | C64 | C65 | H73 | 150.7° | 55.0° |
| C65 | O14 | C66 | C67 | 165.0° | 180.0° |
| O14 | C65 | C64 | H72 | 31.3° | 175.0° |
| O14 | C65 | C64 | H71 | 150.6° | 55.1° |
| O14 | C65 | H74 | H73 | 119.2° | 120.0° |
| C65 | O14 | C66 | H76 | 75.1° | 60.1° |
| C65 | O14 | C66 | H75 | 45.0° | 60.0° |
| C67 | C66 | O14 | H76 | 120.0° | 120.0° |
| C67 | C66 | O14 | H75 | 120.0° | 120.0° |
| C66 | C67 | O15 | H78 | 119.8° | 120.0° |
| C66 | C67 | O15 | H77 | 119.8° | 120.0° |
| C66 | C67 | O15 | C68 | 164.8° | 180.0° |
| C67 | C66 | H76 | H75 | 120.1° | 120.0° |
| C66 | C67 | H78 | H77 | 120.7° | 120.0° |
| O14 | C66 | C67 | O15 | 75.9° | 65.0° |
| C66 | O14 | C65 | H74 | 37.4° | 59.9° |
| C66 | O14 | C65 | H73 | 156.9° | 60.1° |
| O14 | C66 | H76 | H75 | 120.2° | 120.1° |
| O14 | C66 | C67 | H78 | 164.3° | 175.0° |
| O14 | C66 | C67 | H77 | 43.8° | 55.0° |
| C67 | O15 | C68 | C69 | 79.3° | 180.0° |
| O15 | C67 | C66 | H76 | 164.1° | 175.0° |
| O15 | C67 | C66 | H75 | 44.0° | 55.0° |
| O15 | C67 | H78 | H77 | 120.6° | 120.1° |
| C67 | O15 | C68 | H79 | 160.6° | 60.0° |
| C67 | O15 | C68 | H80 | 40.8° | 60.0° |
| C69 | C68 | O15 | H79 | 120.1° | 120.0° |
| C69 | C68 | O15 | H80 | 120.1° | 120.0° |
| C69 | C68 | H79 | H80 | 119.8° | 120.1° |
| C68 | C69 | H82 | H81 | 119.0° | 120.0° |
| C68 | C69 | N09 | H83 | 9.1° | 0.0° |
| C68 | O15 | C67 | H78 | 45.0° | 60.0° |
| C68 | O15 | C67 | H77 | 75.4° | 60.0° |
| O15 | C68 | H79 | H80 | 119.7° | 119.9° |
| O15 | C68 | C69 | H82 | 74.0° | 175.0° |
| O15 | C68 | C69 | H81 | 45.4° | 55.0° |
| F04 | C70 | F05 | F06 | 120.0° | 120.0° |
| H17 | C10 | C09 | H16 | 178.4° | 179.7° |
| H18 | C14 | N03 | H19 | 0.1° | 0.0° |
| H21 | C19 | C20 | H22 | 0.2° | 0.0° |
| H24 | C22 | C23 | H26 | 177.0° | 175.1° |
| H24 | C22 | C23 | H25 | 61.9° | 64.9° |
| H24 | C22 | N04 | H23 | 159.9° | 141.6° |
| H27 | C25 | C26 | H28 | 0.7° | 0.0° |
| H02 | C01 | C02 | H03 | 179.1° | 58.4° |
| H01 | C01 | C02 | H03 | 59.5° | 178.4° |
| H03 | C02 | C03 | H05 | 59.4° | 60.1° |
| H03 | C02 | C03 | H04 | 60.6° | 59.9° |
| H03 | C02 | C03 | H06 | 179.4° | 179.9° |
| H05 | C03 | H04 | H06 | 120.0° | 119.9° |
| H09 | C04 | H07 | H08 | 119.9° | 120.0° |
| H10 | C05 | C06 | H12 | 59.5° | 180.0° |
| H10 | C05 | C06 | H13 | 179.5° | 59.9° |
| H10 | C05 | C06 | H11 | 60.4° | 60.0° |
| H10 | C05 | C07 | H15 | 58.0° | 178.4° |
| H10 | C05 | C07 | H14 | 177.5° | 58.4° |
| H12 | C06 | H13 | H11 | 120.0° | 120.0° |
| H32 | C31 | C32 | H33 | 0.5° | 0.3° |
| H36 | C40 | N07 | H37 | 1.6° | 0.0° |
| H40 | C46 | C47 | H41 | 0.0° | 0.0° |
| H44 | C50 | C51 | H46 | 90.5° | 54.9° |
| H44 | C50 | C51 | H45 | 150.5° | 65.0° |
| H44 | C50 | N08 | H42 | 145.5° | 120.0° |
| H43 | C50 | C51 | H46 | 28.6° | 65.1° |
| H43 | C50 | C51 | H45 | 90.4° | 175.0° |
| H43 | C50 | N08 | H42 | 95.4° | 120.0° |
| H47 | C52 | C53 | H49 | 153.2° | 55.0° |
| H47 | C52 | C53 | H50 | 87.7° | 65.1° |
| H48 | C52 | C53 | H49 | 86.2° | 64.9° |
| H48 | C52 | C53 | H50 | 32.9° | 175.0° |
| H52 | C54 | C55 | H53 | 166.2° | 55.0° |
| H52 | C54 | C55 | H54 | 74.8° | 65.0° |
| H51 | C54 | C55 | H53 | 74.7° | 65.0° |
| H51 | C54 | C55 | H54 | 44.3° | 175.0° |
| H56 | C56 | C57 | H58 | 72.6° | 55.0° |
| H56 | C56 | C57 | H57 | 47.6° | 65.0° |
| H55 | C56 | C57 | H58 | 46.2° | 65.0° |
| H55 | C56 | C57 | H57 | 166.4° | 175.0° |
| H59 | C58 | C59 | H61 | 153.2° | 55.1° |
| H59 | C58 | C59 | H62 | 33.3° | 65.0° |
| H60 | C58 | C59 | H61 | 33.6° | 65.0° |
| H60 | C58 | C59 | H62 | 86.3° | 175.0° |
| H64 | C60 | C61 | H65 | 69.3° | 55.1° |
| H64 | C60 | C61 | H66 | 51.3° | 65.0° |
| H63 | C60 | C61 | H65 | 51.4° | 65.0° |
| H63 | C60 | C61 | H66 | 172.0° | 174.9° |
| H68 | C62 | C63 | H70 | 53.6° | 55.1° |
| H68 | C62 | C63 | H69 | 173.4° | 65.0° |
| H67 | C62 | C63 | H70 | 173.9° | 65.0° |
| H67 | C62 | C63 | H69 | 66.3° | 175.0° |
| H72 | C64 | C65 | H74 | 151.5° | 55.0° |
| H72 | C64 | C65 | H73 | 89.0° | 65.1° |
| H71 | C64 | C65 | H74 | 89.2° | 65.0° |
| H71 | C64 | C65 | H73 | 30.3° | 175.0° |
| H76 | C66 | C67 | H78 | 44.3° | 55.0° |
| H76 | C66 | C67 | H77 | 76.1° | 65.0° |
| H75 | C66 | C67 | H78 | 75.8° | 65.0° |
| H75 | C66 | C67 | H77 | 163.8° | 175.0° |
| H79 | C68 | C69 | H82 | 166.0° | 55.1° |
| H79 | C68 | C69 | H81 | 74.7° | 65.0° |
| H80 | C68 | C69 | H82 | 46.1° | 65.0° |
| H80 | C68 | C69 | H81 | 165.5° | 175.0° |
| H82 | C69 | N09 | H83 | 111.3° | 119.9° |
| H81 | C69 | N09 | H83 | 129.4° | 120.0° |
