8I2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O57 | C56 | sing | 1.43Å | 1.43Å | |
| O57 | C58 | sing | 1.43Å | 1.43Å | |
| C56 | C55 | sing | 1.53Å | 1.53Å | |
| O81 | C82 | sing | 1.43Å | 1.43Å | |
| O81 | C80 | sing | 1.43Å | 1.43Å | |
| C82 | C83 | sing | 1.53Å | 1.53Å | |
| C55 | N54 | sing | 1.47Å | 1.47Å | |
| C58 | C59 | sing | 1.53Å | 1.53Å | |
| C83 | N78 | sing | 1.47Å | 1.47Å | |
| C59 | N54 | sing | 1.47Å | 1.47Å | |
| C65 | C22 | sing | 1.53Å | 1.53Å | |
| C80 | C79 | sing | 1.53Å | 1.53Å | |
| C76 | C77 | doub | 1.38Å | 1.38Å | Aromatic |
| C76 | C75 | sing | 1.39Å | 1.39Å | Aromatic |
| N78 | C75 | sing | 1.40Å | 1.40Å | |
| N78 | C79 | sing | 1.47Å | 1.47Å | |
| O40 | C39 | doub | 1.21Å | 1.21Å | |
| N54 | C51 | sing | 1.40Å | 1.40Å | |
| C64 | N26 | sing | 1.47Å | 1.47Å | |
| C88 | N6 | sing | 1.47Å | 1.47Å | |
| C46 | N36 | sing | 1.47Å | 1.47Å | |
| C52 | C51 | doub | 1.39Å | 1.39Å | Aromatic |
| C52 | C53 | sing | 1.38Å | 1.38Å | Aromatic |
| C70 | N16 | sing | 1.47Å | 1.47Å | |
| C77 | C72 | sing | 1.38Å | 1.38Å | Aromatic |
| C75 | C74 | doub | 1.39Å | 1.39Å | Aromatic |
| O30 | C29 | doub | 1.21Å | 1.21Å | |
| C87 | C85 | sing | 1.53Å | 1.53Å | |
| C51 | C50 | sing | 1.39Å | 1.39Å | Aromatic |
| C39 | C37 | sing | 1.51Å | 1.52Å | |
| C39 | O41 | sing | 1.34Å | 1.34Å | |
| C53 | C48 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C24 | sing | 1.51Å | 1.51Å | |
| C22 | O21 | sing | 1.44Å | 1.45Å | |
| C29 | O31 | sing | 1.34Å | 1.34Å | |
| C29 | C27 | sing | 1.51Å | 1.52Å | |
| N26 | C24 | sing | 1.36Å | 1.36Å | |
| N26 | C27 | sing | 1.48Å | 1.47Å | |
| C37 | N36 | sing | 1.48Å | 1.48Å | |
| C37 | C42 | sing | 1.53Å | 1.53Å | |
| O31 | C32 | sing | 1.44Å | 1.45Å | |
| C45 | C43 | sing | 1.53Å | 1.53Å | |
| N36 | C34 | sing | 1.36Å | 1.36Å | |
| C7 | N6 | sing | 1.48Å | 1.48Å | |
| C7 | C9 | sing | 1.51Å | 1.51Å | |
| C7 | C84 | sing | 1.53Å | 1.53Å | |
| N6 | C4 | sing | 1.36Å | 1.36Å | |
| O11 | C9 | sing | 1.34Å | 1.34Å | |
| O11 | C12 | sing | 1.44Å | 1.45Å | |
| C9 | O10 | doub | 1.21Å | 1.21Å | |
| C69 | C67 | sing | 1.53Å | 1.53Å | |
| C24 | O25 | doub | 1.22Å | 1.22Å | |
| C27 | C60 | sing | 1.53Å | 1.53Å | |
| O41 | C2 | sing | 1.44Å | 1.46Å | |
| N16 | C17 | sing | 1.48Å | 1.47Å | |
| N16 | C14 | sing | 1.36Å | 1.36Å | |
| C72 | C71 | sing | 1.51Å | 1.51Å | |
| C72 | C73 | doub | 1.38Å | 1.38Å | Aromatic |
| C74 | C73 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C19 | sing | 1.51Å | 1.51Å | |
| C17 | C66 | sing | 1.53Å | 1.53Å | |
| C50 | C49 | doub | 1.38Å | 1.38Å | Aromatic |
| C85 | C84 | sing | 1.53Å | 1.53Å | |
| C85 | C86 | sing | 1.53Å | 1.53Å | |
| O21 | C19 | sing | 1.34Å | 1.34Å | |
| C19 | O20 | doub | 1.21Å | 1.21Å | |
| C48 | C49 | sing | 1.38Å | 1.38Å | Aromatic |
| C48 | C47 | sing | 1.51Å | 1.51Å | |
| C34 | C32 | sing | 1.51Å | 1.52Å | |
| C34 | O35 | doub | 1.22Å | 1.22Å | |
| C71 | C12 | sing | 1.53Å | 1.53Å | |
| C32 | C47 | sing | 1.53Å | 1.54Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C43 | C44 | sing | 1.53Å | 1.53Å | |
| C4 | C2 | sing | 1.51Å | 1.52Å | |
| C4 | O5 | doub | 1.22Å | 1.22Å | |
| C12 | C14 | sing | 1.51Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C14 | O15 | doub | 1.22Å | 1.22Å | |
| C63 | C61 | sing | 1.53Å | 1.53Å | |
| C67 | C66 | sing | 1.53Å | 1.53Å | |
| C67 | C68 | sing | 1.53Å | 1.53Å | |
| C60 | C61 | sing | 1.53Å | 1.53Å | |
| C61 | C62 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.10Å | 1.10Å | |
| C17 | H5 | sing | 1.10Å | 1.10Å | |
| C2 | H6 | sing | 1.10Å | 1.10Å | |
| C22 | H7 | sing | 1.10Å | 1.10Å | |
| C27 | H8 | sing | 1.10Å | 1.10Å | |
| C32 | H9 | sing | 1.10Å | 1.10Å | |
| C37 | H10 | sing | 1.10Å | 1.10Å | |
| C42 | H11 | sing | 1.09Å | 1.10Å | |
| C42 | H12 | sing | 1.09Å | 1.10Å | |
| C43 | H13 | sing | 1.09Å | 1.10Å | |
| C44 | H14 | sing | 1.09Å | 1.10Å | |
| C44 | H15 | sing | 1.09Å | 1.10Å | |
| C44 | H16 | sing | 1.09Å | 1.10Å | |
| C45 | H17 | sing | 1.09Å | 1.10Å | |
| C45 | H18 | sing | 1.09Å | 1.10Å | |
| C45 | H19 | sing | 1.09Å | 1.10Å | |
| C46 | H20 | sing | 1.09Å | 1.10Å | |
| C46 | H21 | sing | 1.09Å | 1.10Å | |
| C46 | H22 | sing | 1.09Å | 1.10Å | |
| C47 | H23 | sing | 1.09Å | 1.10Å | |
| C47 | H24 | sing | 1.09Å | 1.10Å | |
| C49 | H25 | sing | 1.08Å | 1.08Å | |
| C50 | H26 | sing | 1.08Å | 1.08Å | |
| C52 | H27 | sing | 1.08Å | 1.08Å | |
| C53 | H28 | sing | 1.08Å | 1.08Å | |
| C55 | H29 | sing | 1.09Å | 1.10Å | |
| C55 | H30 | sing | 1.09Å | 1.10Å | |
| C56 | H31 | sing | 1.09Å | 1.10Å | |
| C56 | H32 | sing | 1.09Å | 1.10Å | |
| C58 | H33 | sing | 1.09Å | 1.10Å | |
| C58 | H34 | sing | 1.09Å | 1.10Å | |
| C59 | H35 | sing | 1.09Å | 1.10Å | |
| C59 | H36 | sing | 1.09Å | 1.10Å | |
| C60 | H37 | sing | 1.09Å | 1.10Å | |
| C60 | H38 | sing | 1.09Å | 1.10Å | |
| C61 | H39 | sing | 1.09Å | 1.10Å | |
| C62 | H40 | sing | 1.09Å | 1.10Å | |
| C62 | H41 | sing | 1.09Å | 1.10Å | |
| C62 | H42 | sing | 1.09Å | 1.10Å | |
| C63 | H43 | sing | 1.09Å | 1.10Å | |
| C63 | H44 | sing | 1.09Å | 1.10Å | |
| C63 | H45 | sing | 1.09Å | 1.10Å | |
| C64 | H46 | sing | 1.09Å | 1.10Å | |
| C64 | H47 | sing | 1.09Å | 1.10Å | |
| C64 | H48 | sing | 1.09Å | 1.10Å | |
| C65 | H49 | sing | 1.09Å | 1.10Å | |
| C65 | H50 | sing | 1.09Å | 1.10Å | |
| C65 | H51 | sing | 1.09Å | 1.10Å | |
| C66 | H52 | sing | 1.09Å | 1.10Å | |
| C66 | H53 | sing | 1.09Å | 1.10Å | |
| C67 | H54 | sing | 1.09Å | 1.10Å | |
| C68 | H55 | sing | 1.09Å | 1.10Å | |
| C68 | H56 | sing | 1.09Å | 1.10Å | |
| C68 | H57 | sing | 1.09Å | 1.10Å | |
| C69 | H58 | sing | 1.09Å | 1.10Å | |
| C69 | H59 | sing | 1.09Å | 1.10Å | |
| C69 | H60 | sing | 1.09Å | 1.10Å | |
| C7 | H61 | sing | 1.10Å | 1.10Å | |
| C70 | H62 | sing | 1.09Å | 1.10Å | |
| C70 | H63 | sing | 1.09Å | 1.10Å | |
| C70 | H64 | sing | 1.09Å | 1.10Å | |
| C71 | H65 | sing | 1.09Å | 1.10Å | |
| C71 | H66 | sing | 1.09Å | 1.10Å | |
| C73 | H67 | sing | 1.08Å | 1.08Å | |
| C74 | H68 | sing | 1.08Å | 1.08Å | |
| C76 | H69 | sing | 1.08Å | 1.08Å | |
| C77 | H70 | sing | 1.08Å | 1.08Å | |
| C79 | H71 | sing | 1.09Å | 1.10Å | |
| C79 | H72 | sing | 1.09Å | 1.10Å | |
| C80 | H73 | sing | 1.09Å | 1.10Å | |
| C80 | H74 | sing | 1.09Å | 1.10Å | |
| C82 | H75 | sing | 1.09Å | 1.10Å | |
| C82 | H76 | sing | 1.09Å | 1.10Å | |
| C83 | H77 | sing | 1.09Å | 1.10Å | |
| C83 | H78 | sing | 1.09Å | 1.10Å | |
| C84 | H79 | sing | 1.09Å | 1.10Å | |
| C84 | H80 | sing | 1.09Å | 1.10Å | |
| C85 | H81 | sing | 1.09Å | 1.10Å | |
| C86 | H82 | sing | 1.09Å | 1.10Å | |
| C86 | H83 | sing | 1.09Å | 1.10Å | |
| C86 | H84 | sing | 1.09Å | 1.10Å | |
| C87 | H85 | sing | 1.09Å | 1.10Å | |
| C87 | H86 | sing | 1.09Å | 1.10Å | |
| C87 | H87 | sing | 1.09Å | 1.10Å | |
| C88 | H88 | sing | 1.09Å | 1.10Å | |
| C88 | H89 | sing | 1.09Å | 1.10Å | |
| C88 | H90 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C56 | O57 | C58 | 114.0° | 113.7° |
| O57 | C56 | C55 | 109.3° | 109.2° |
| O57 | C56 | H31 | 109.5° | 109.5° |
| O57 | C56 | H32 | 109.5° | 109.5° |
| O57 | C58 | C59 | 109.2° | 109.3° |
| O57 | C58 | H33 | 109.5° | 109.5° |
| O57 | C58 | H34 | 109.5° | 109.6° |
| C56 | C55 | N54 | 109.0° | 109.2° |
| C56 | C55 | H29 | 109.6° | 109.4° |
| C56 | C55 | H30 | 109.6° | 109.5° |
| C55 | C56 | H31 | 109.5° | 109.5° |
| C55 | C56 | H32 | 109.5° | 109.5° |
| C82 | O81 | C80 | 113.9° | 113.7° |
| O81 | C82 | C83 | 109.2° | 109.3° |
| O81 | C82 | H75 | 109.6° | 109.5° |
| O81 | C82 | H76 | 109.5° | 109.5° |
| O81 | C80 | C79 | 109.2° | 109.2° |
| O81 | C80 | H73 | 109.5° | 109.5° |
| O81 | C80 | H74 | 109.5° | 109.5° |
| C82 | C83 | N78 | 109.1° | 109.2° |
| C83 | C82 | H75 | 109.6° | 109.5° |
| C83 | C82 | H76 | 109.6° | 109.5° |
| C82 | C83 | H77 | 109.6° | 109.5° |
| C82 | C83 | H78 | 109.6° | 109.4° |
| C55 | N54 | C59 | 111.1° | 110.8° |
| C55 | N54 | C51 | 112.5° | 110.9° |
| N54 | C55 | H29 | 109.6° | 109.5° |
| N54 | C55 | H30 | 109.6° | 109.5° |
| C58 | C59 | N54 | 109.2° | 109.2° |
| C59 | C58 | H33 | 109.5° | 109.5° |
| C59 | C58 | H34 | 109.5° | 109.5° |
| C58 | C59 | H35 | 109.5° | 109.5° |
| C58 | C59 | H36 | 109.5° | 109.5° |
| C83 | N78 | C75 | 110.8° | 111.0° |
| C83 | N78 | C79 | 111.3° | 110.7° |
| N78 | C83 | H77 | 109.5° | 109.5° |
| N78 | C83 | H78 | 109.5° | 109.5° |
| C59 | N54 | C51 | 111.0° | 111.0° |
| N54 | C59 | H35 | 109.5° | 109.6° |
| N54 | C59 | H36 | 109.5° | 109.5° |
| C65 | C22 | C24 | 111.3° | 110.3° |
| C65 | C22 | O21 | 109.4° | 110.4° |
| C65 | C22 | H7 | 108.0° | 108.6° |
| C22 | C65 | H49 | 109.5° | 109.5° |
| C22 | C65 | H50 | 109.5° | 109.5° |
| C22 | C65 | H51 | 109.5° | 109.5° |
| C80 | C79 | N78 | 109.0° | 109.3° |
| C80 | C79 | H71 | 109.6° | 109.5° |
| C80 | C79 | H72 | 109.6° | 109.5° |
| C79 | C80 | H73 | 109.5° | 109.6° |
| C79 | C80 | H74 | 109.5° | 109.5° |
| C77 | C76 | C75 | 120.2° | 119.9° |
| C76 | C77 | C72 | 120.0° | 120.0° |
| C77 | C76 | H69 | 119.9° | 120.0° |
| C76 | C77 | H70 | 120.0° | 119.9° |
| C76 | C75 | N78 | 119.1° | 120.1° |
| C76 | C75 | C74 | 119.7° | 119.9° |
| C75 | C76 | H69 | 119.9° | 120.0° |
| C75 | N78 | C79 | 112.6° | 111.0° |
| N78 | C75 | C74 | 121.2° | 120.0° |
| N78 | C79 | H71 | 109.6° | 109.6° |
| N78 | C79 | H72 | 109.6° | 109.5° |
| O40 | C39 | C37 | 117.6° | 119.7° |
| O40 | C39 | O41 | 121.2° | 121.7° |
| N54 | C51 | C52 | 121.1° | 120.1° |
| N54 | C51 | C50 | 119.3° | 120.1° |
| C64 | N26 | C24 | 121.1° | 122.6° |
| C64 | N26 | C27 | 116.1° | 119.7° |
| N26 | C64 | H46 | 109.5° | 109.5° |
| N26 | C64 | H47 | 109.5° | 109.4° |
| N26 | C64 | H48 | 109.4° | 109.5° |
| C88 | N6 | C7 | 113.9° | 119.6° |
| C88 | N6 | C4 | 122.9° | 122.6° |
| N6 | C88 | H88 | 109.5° | 109.5° |
| N6 | C88 | H89 | 109.5° | 109.4° |
| N6 | C88 | H90 | 109.5° | 109.5° |
| C46 | N36 | C37 | 114.0° | 119.7° |
| C46 | N36 | C34 | 122.3° | 122.5° |
| N36 | C46 | H20 | 109.5° | 109.5° |
| N36 | C46 | H21 | 109.5° | 109.5° |
| N36 | C46 | H22 | 109.4° | 109.5° |
| C51 | C52 | C53 | 120.0° | 120.0° |
| C52 | C51 | C50 | 119.6° | 119.8° |
| C51 | C52 | H27 | 120.0° | 120.0° |
| C52 | C53 | C48 | 120.2° | 120.0° |
| C53 | C52 | H27 | 120.0° | 120.0° |
| C52 | C53 | H28 | 119.9° | 120.0° |
| C70 | N16 | C17 | 113.8° | 119.7° |
| C70 | N16 | C14 | 122.9° | 122.6° |
| N16 | C70 | H62 | 109.5° | 109.5° |
| N16 | C70 | H63 | 109.5° | 109.5° |
| N16 | C70 | H64 | 109.4° | 109.4° |
| C77 | C72 | C71 | 119.6° | 119.9° |
| C77 | C72 | C73 | 120.2° | 120.2° |
| C72 | C77 | H70 | 120.0° | 120.0° |
| C75 | C74 | C73 | 119.9° | 119.9° |
| C75 | C74 | H68 | 120.0° | 120.1° |
| O30 | C29 | O31 | 119.8° | 121.6° |
| O30 | C29 | C27 | 119.8° | 119.7° |
| C87 | C85 | C84 | 109.3° | 109.5° |
| C87 | C85 | C86 | 109.3° | 109.5° |
| C87 | C85 | H81 | 109.6° | 109.4° |
| C85 | C87 | H85 | 109.5° | 109.5° |
| C85 | C87 | H86 | 109.4° | 109.5° |
| C85 | C87 | H87 | 109.5° | 109.4° |
| C51 | C50 | C49 | 120.2° | 119.9° |
| C51 | C50 | H26 | 119.9° | 120.0° |
| C37 | C39 | O41 | 121.2° | 118.7° |
| C39 | C37 | N36 | 114.5° | 110.3° |
| C39 | C37 | C42 | 112.2° | 110.7° |
| C39 | C37 | H10 | 105.3° | 107.9° |
| C39 | O41 | C2 | 124.6° | 122.0° |
| C53 | C48 | C49 | 120.0° | 120.2° |
| C53 | C48 | C47 | 120.3° | 119.9° |
| C48 | C53 | H28 | 119.9° | 120.0° |
| C24 | C22 | O21 | 110.5° | 110.5° |
| C22 | C24 | N26 | 123.3° | 120.4° |
| C22 | C24 | O25 | 117.1° | 118.6° |
| C24 | C22 | H7 | 108.3° | 109.5° |
| C22 | O21 | C19 | 122.0° | 121.8° |
| O21 | C22 | H7 | 109.2° | 107.6° |
| O31 | C29 | C27 | 120.4° | 118.7° |
| C29 | O31 | C32 | 123.1° | 121.8° |
| C29 | C27 | N26 | 111.7° | 110.2° |
| C29 | C27 | C60 | 112.7° | 110.7° |
| C29 | C27 | H8 | 106.6° | 107.9° |
| C24 | N26 | C27 | 122.7° | 117.7° |
| N26 | C24 | O25 | 119.7° | 121.0° |
| N26 | C27 | C60 | 111.9° | 111.4° |
| N26 | C27 | H8 | 107.1° | 108.1° |
| N36 | C37 | C42 | 112.9° | 111.4° |
| C37 | N36 | C34 | 123.7° | 117.8° |
| N36 | C37 | H10 | 105.8° | 108.0° |
| C37 | C42 | C43 | 110.8° | 109.5° |
| C42 | C37 | H10 | 105.2° | 108.4° |
| C37 | C42 | H11 | 109.2° | 109.4° |
| C37 | C42 | H12 | 109.1° | 109.5° |
| O31 | C32 | C34 | 115.1° | 110.5° |
| O31 | C32 | C47 | 110.7° | 110.4° |
| O31 | C32 | H9 | 106.8° | 107.6° |
| C45 | C43 | C42 | 109.2° | 109.5° |
| C45 | C43 | C44 | 109.0° | 109.5° |
| C45 | C43 | H13 | 109.9° | 109.5° |
| C43 | C45 | H17 | 109.5° | 109.5° |
| C43 | C45 | H18 | 109.5° | 109.5° |
| C43 | C45 | H19 | 109.4° | 109.5° |
| N36 | C34 | C32 | 125.5° | 120.4° |
| N36 | C34 | O35 | 119.8° | 121.0° |
| N6 | C7 | C9 | 112.3° | 110.3° |
| N6 | C7 | C84 | 113.2° | 111.4° |
| C7 | N6 | C4 | 123.2° | 117.8° |
| N6 | C7 | H61 | 106.9° | 108.1° |
| C9 | C7 | C84 | 111.1° | 110.7° |
| C7 | C9 | O11 | 118.6° | 118.6° |
| C7 | C9 | O10 | 119.6° | 119.7° |
| C9 | C7 | H61 | 106.5° | 107.9° |
| C7 | C84 | C85 | 110.5° | 109.5° |
| C84 | C7 | H61 | 106.3° | 108.4° |
| C7 | C84 | H79 | 109.2° | 109.5° |
| C7 | C84 | H80 | 109.2° | 109.5° |
| N6 | C4 | C2 | 125.8° | 120.3° |
| N6 | C4 | O5 | 119.6° | 121.1° |
| C9 | O11 | C12 | 122.1° | 121.9° |
| O11 | C9 | O10 | 121.8° | 121.7° |
| O11 | C12 | C71 | 111.6° | 110.4° |
| O11 | C12 | C14 | 112.0° | 110.5° |
| O11 | C12 | H4 | 107.3° | 107.6° |
| C69 | C67 | C66 | 109.7° | 109.5° |
| C69 | C67 | C68 | 109.4° | 109.4° |
| C69 | C67 | H54 | 109.6° | 109.5° |
| C67 | C69 | H58 | 109.5° | 109.5° |
| C67 | C69 | H59 | 109.5° | 109.5° |
| C67 | C69 | H60 | 109.5° | 109.5° |
| C27 | C60 | C61 | 111.7° | 109.5° |
| C60 | C27 | H8 | 106.4° | 108.4° |
| C27 | C60 | H37 | 108.9° | 109.5° |
| C27 | C60 | H38 | 108.9° | 109.5° |
| O41 | C2 | C4 | 113.5° | 110.5° |
| O41 | C2 | C1 | 113.4° | 110.4° |
| O41 | C2 | H6 | 106.5° | 107.6° |
| C17 | N16 | C14 | 123.3° | 117.7° |
| N16 | C17 | C19 | 110.5° | 110.2° |
| N16 | C17 | C66 | 114.7° | 111.4° |
| N16 | C17 | H5 | 107.1° | 108.1° |
| N16 | C14 | C12 | 125.4° | 120.4° |
| N16 | C14 | O15 | 119.9° | 121.0° |
| C71 | C72 | C73 | 120.2° | 119.9° |
| C72 | C71 | C12 | 109.8° | 109.5° |
| C72 | C71 | H65 | 109.4° | 109.5° |
| C72 | C71 | H66 | 109.4° | 109.5° |
| C72 | C73 | C74 | 120.0° | 120.1° |
| C72 | C73 | H67 | 120.0° | 120.0° |
| C74 | C73 | H67 | 120.0° | 120.0° |
| C73 | C74 | H68 | 120.0° | 120.0° |
| C19 | C17 | C66 | 111.0° | 110.7° |
| C17 | C19 | O21 | 119.4° | 118.7° |
| C17 | C19 | O20 | 119.0° | 119.7° |
| C19 | C17 | H5 | 106.6° | 107.9° |
| C17 | C66 | C67 | 110.4° | 109.5° |
| C66 | C17 | H5 | 106.4° | 108.4° |
| C17 | C66 | H52 | 109.2° | 109.5° |
| C17 | C66 | H53 | 109.2° | 109.5° |
| C50 | C49 | C48 | 120.1° | 120.1° |
| C50 | C49 | H25 | 120.0° | 119.9° |
| C49 | C50 | H26 | 119.9° | 120.1° |
| C84 | C85 | C86 | 109.4° | 109.5° |
| C85 | C84 | H79 | 109.2° | 109.4° |
| C85 | C84 | H80 | 109.2° | 109.5° |
| C84 | C85 | H81 | 109.6° | 109.5° |
| C86 | C85 | H81 | 109.6° | 109.4° |
| C85 | C86 | H82 | 109.5° | 109.5° |
| C85 | C86 | H83 | 109.5° | 109.4° |
| C85 | C86 | H84 | 109.5° | 109.5° |
| O21 | C19 | O20 | 121.7° | 121.6° |
| C49 | C48 | C47 | 119.7° | 119.9° |
| C48 | C49 | H25 | 119.9° | 120.0° |
| C48 | C47 | C32 | 110.6° | 109.5° |
| C48 | C47 | H23 | 109.2° | 109.5° |
| C48 | C47 | H24 | 109.2° | 109.4° |
| C32 | C34 | O35 | 114.7° | 118.6° |
| C34 | C32 | C47 | 111.8° | 110.3° |
| C34 | C32 | H9 | 106.0° | 109.5° |
| C71 | C12 | C14 | 112.7° | 110.3° |
| C71 | C12 | H4 | 106.3° | 108.5° |
| C12 | C71 | H65 | 109.4° | 109.5° |
| C12 | C71 | H66 | 109.4° | 109.4° |
| C47 | C32 | H9 | 105.8° | 108.5° |
| C32 | C47 | H23 | 109.2° | 109.4° |
| C32 | C47 | H24 | 109.2° | 109.4° |
| C42 | C43 | C44 | 109.0° | 109.4° |
| C43 | C42 | H11 | 109.1° | 109.5° |
| C43 | C42 | H12 | 109.1° | 109.5° |
| C42 | C43 | H13 | 109.9° | 109.4° |
| C44 | C43 | H13 | 109.9° | 109.5° |
| C43 | C44 | H14 | 109.5° | 109.5° |
| C43 | C44 | H15 | 109.5° | 109.4° |
| C43 | C44 | H16 | 109.5° | 109.5° |
| C2 | C4 | O5 | 114.7° | 118.6° |
| C4 | C2 | C1 | 111.3° | 110.3° |
| C4 | C2 | H6 | 105.8° | 109.5° |
| C12 | C14 | O15 | 114.7° | 118.6° |
| C14 | C12 | H4 | 106.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C1 | C2 | H6 | 105.5° | 108.5° |
| C63 | C61 | C60 | 109.9° | 109.5° |
| C63 | C61 | C62 | 109.4° | 109.4° |
| C63 | C61 | H39 | 109.4° | 109.5° |
| C61 | C63 | H43 | 109.5° | 109.4° |
| C61 | C63 | H44 | 109.5° | 109.5° |
| C61 | C63 | H45 | 109.5° | 109.5° |
| C66 | C67 | C68 | 108.9° | 109.5° |
| C67 | C66 | H52 | 109.2° | 109.5° |
| C67 | C66 | H53 | 109.2° | 109.4° |
| C66 | C67 | H54 | 109.6° | 109.5° |
| C68 | C67 | H54 | 109.6° | 109.5° |
| C67 | C68 | H55 | 109.5° | 109.4° |
| C67 | C68 | H56 | 109.5° | 109.5° |
| C67 | C68 | H57 | 109.5° | 109.5° |
| C60 | C61 | C62 | 109.3° | 109.5° |
| C61 | C60 | H37 | 108.9° | 109.4° |
| C61 | C60 | H38 | 108.9° | 109.4° |
| C60 | C61 | H39 | 109.4° | 109.5° |
| C62 | C61 | H39 | 109.4° | 109.5° |
| C61 | C62 | H40 | 109.5° | 109.4° |
| C61 | C62 | H41 | 109.5° | 109.5° |
| C61 | C62 | H42 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H11 | C42 | H12 | 109.5° | 109.5° |
| H14 | C44 | H15 | 109.5° | 109.5° |
| H14 | C44 | H16 | 109.4° | 109.5° |
| H15 | C44 | H16 | 109.5° | 109.5° |
| H17 | C45 | H18 | 109.5° | 109.5° |
| H17 | C45 | H19 | 109.4° | 109.5° |
| H18 | C45 | H19 | 109.5° | 109.5° |
| H20 | C46 | H21 | 109.4° | 109.5° |
| H20 | C46 | H22 | 109.5° | 109.5° |
| H21 | C46 | H22 | 109.5° | 109.5° |
| H23 | C47 | H24 | 109.5° | 109.5° |
| H29 | C55 | H30 | 109.5° | 109.5° |
| H31 | C56 | H32 | 109.5° | 109.6° |
| H33 | C58 | H34 | 109.5° | 109.5° |
| H35 | C59 | H36 | 109.5° | 109.6° |
| H37 | C60 | H38 | 109.5° | 109.4° |
| H40 | C62 | H41 | 109.5° | 109.4° |
| H40 | C62 | H42 | 109.5° | 109.5° |
| H41 | C62 | H42 | 109.4° | 109.5° |
| H43 | C63 | H44 | 109.5° | 109.4° |
| H43 | C63 | H45 | 109.5° | 109.5° |
| H44 | C63 | H45 | 109.5° | 109.5° |
| H46 | C64 | H47 | 109.5° | 109.5° |
| H46 | C64 | H48 | 109.4° | 109.5° |
| H47 | C64 | H48 | 109.5° | 109.4° |
| H49 | C65 | H50 | 109.5° | 109.4° |
| H49 | C65 | H51 | 109.5° | 109.5° |
| H50 | C65 | H51 | 109.4° | 109.4° |
| H52 | C66 | H53 | 109.5° | 109.5° |
| H55 | C68 | H56 | 109.5° | 109.5° |
| H55 | C68 | H57 | 109.5° | 109.5° |
| H56 | C68 | H57 | 109.4° | 109.5° |
| H58 | C69 | H59 | 109.5° | 109.5° |
| H58 | C69 | H60 | 109.5° | 109.4° |
| H59 | C69 | H60 | 109.5° | 109.4° |
| H62 | C70 | H63 | 109.5° | 109.5° |
| H62 | C70 | H64 | 109.5° | 109.5° |
| H63 | C70 | H64 | 109.5° | 109.5° |
| H65 | C71 | H66 | 109.5° | 109.5° |
| H71 | C79 | H72 | 109.5° | 109.5° |
| H73 | C80 | H74 | 109.5° | 109.6° |
| H75 | C82 | H76 | 109.5° | 109.4° |
| H77 | C83 | H78 | 109.5° | 109.6° |
| H79 | C84 | H80 | 109.5° | 109.5° |
| H82 | C86 | H83 | 109.5° | 109.5° |
| H82 | C86 | H84 | 109.5° | 109.5° |
| H83 | C86 | H84 | 109.5° | 109.4° |
| H85 | C87 | H86 | 109.4° | 109.5° |
| H85 | C87 | H87 | 109.5° | 109.4° |
| H86 | C87 | H87 | 109.5° | 109.5° |
| H88 | C88 | H89 | 109.4° | 109.5° |
| H88 | C88 | H90 | 109.5° | 109.5° |
| H89 | C88 | H90 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O57 | C56 | C55 | H31 | 120.0° | 119.9° |
| O57 | C56 | C55 | H32 | 120.0° | 119.9° |
| O57 | C56 | C55 | N54 | 56.6° | 56.8° |
| C56 | O57 | C58 | C59 | 58.4° | 58.7° |
| O57 | C56 | C55 | H29 | 63.3° | 63.1° |
| O57 | C56 | C55 | H30 | 176.6° | 176.8° |
| O57 | C56 | H31 | H32 | 120.1° | 120.1° |
| C56 | O57 | C58 | H33 | 61.5° | 178.6° |
| C56 | O57 | C58 | H34 | 178.4° | 61.3° |
| C58 | O57 | C56 | C55 | 58.6° | 58.7° |
| O57 | C58 | C59 | H33 | 120.0° | 119.9° |
| O57 | C58 | C59 | H34 | 120.0° | 120.0° |
| O57 | C58 | C59 | N54 | 56.5° | 56.8° |
| C58 | O57 | C56 | H31 | 178.5° | 61.2° |
| C58 | O57 | C56 | H32 | 61.4° | 178.6° |
| O57 | C58 | H33 | H34 | 120.1° | 120.1° |
| O57 | C58 | C59 | H35 | 176.5° | 176.8° |
| O57 | C58 | C59 | H36 | 63.4° | 63.1° |
| C56 | C55 | N54 | H29 | 119.9° | 119.9° |
| C56 | C55 | N54 | H30 | 119.9° | 120.0° |
| C56 | C55 | N54 | C59 | 58.6° | 58.6° |
| C56 | C55 | N54 | C51 | 176.3° | 177.6° |
| C56 | C55 | H29 | H30 | 120.2° | 120.1° |
| C55 | C56 | H31 | H32 | 120.1° | 120.1° |
| O81 | C82 | C83 | H75 | 120.0° | 120.0° |
| O81 | C82 | C83 | H76 | 119.9° | 120.0° |
| O81 | C82 | C83 | N78 | 0.1° | 56.8° |
| C82 | O81 | C80 | C79 | 58.5° | 58.7° |
| C82 | O81 | C80 | H73 | 61.5° | 61.3° |
| C82 | O81 | C80 | H74 | 178.4° | 178.6° |
| O81 | C82 | H75 | H76 | 120.1° | 120.1° |
| O81 | C82 | C83 | H77 | 120.1° | 176.8° |
| O81 | C82 | C83 | H78 | 119.8° | 63.1° |
| C80 | O81 | C82 | C83 | 59.3° | 58.7° |
| O81 | C80 | C79 | H73 | 120.0° | 119.9° |
| O81 | C80 | C79 | H74 | 120.0° | 119.9° |
| O81 | C80 | C79 | N78 | 1.6° | 57.0° |
| O81 | C80 | C79 | H71 | 118.3° | 63.1° |
| O81 | C80 | C79 | H72 | 121.5° | 176.9° |
| O81 | C80 | H73 | H74 | 120.1° | 120.1° |
| C80 | O81 | C82 | H75 | 179.3° | 178.7° |
| C80 | O81 | C82 | H76 | 60.6° | 61.3° |
| C82 | C83 | N78 | H77 | 119.9° | 120.0° |
| C82 | C83 | N78 | H78 | 119.9° | 119.9° |
| C82 | C83 | N78 | C75 | 175.8° | 177.7° |
| C82 | C83 | N78 | C79 | 58.0° | 58.6° |
| C83 | C82 | H75 | H76 | 120.1° | 120.0° |
| C82 | C83 | H77 | H78 | 120.2° | 120.1° |
| C55 | N54 | C59 | C58 | 58.6° | 58.6° |
| C55 | N54 | C59 | C51 | 125.9° | 123.7° |
| C55 | N54 | C51 | C52 | 5.3° | 0.0° |
| C55 | N54 | C51 | C50 | 174.7° | 180.0° |
| N54 | C55 | H29 | H30 | 120.2° | 120.2° |
| N54 | C55 | C56 | H31 | 176.6° | 63.1° |
| N54 | C55 | C56 | H32 | 63.3° | 176.8° |
| C55 | N54 | C59 | H35 | 178.6° | 178.6° |
| C55 | N54 | C59 | H36 | 61.3° | 61.2° |
| C58 | C59 | N54 | H35 | 120.0° | 119.9° |
| C58 | C59 | N54 | H36 | 120.0° | 119.9° |
| C58 | C59 | N54 | C51 | 175.4° | 177.6° |
| C59 | C58 | H33 | H34 | 120.1° | 120.1° |
| C58 | C59 | H35 | H36 | 120.1° | 120.1° |
| C83 | N78 | C79 | C80 | 58.8° | 58.7° |
| C83 | N78 | C75 | C76 | 67.4° | 0.1° |
| C83 | N78 | C75 | C79 | 125.4° | 123.6° |
| C83 | N78 | C75 | C74 | 112.6° | 180.0° |
| C83 | N78 | C79 | H71 | 61.2° | 61.3° |
| C83 | N78 | C79 | H72 | 178.7° | 178.6° |
| N78 | C83 | C82 | H75 | 119.8° | 176.9° |
| N78 | C83 | C82 | H76 | 120.1° | 63.2° |
| N78 | C83 | H77 | H78 | 120.1° | 120.2° |
| C59 | N54 | C51 | C52 | 119.8° | 123.6° |
| C59 | N54 | C51 | C50 | 60.2° | 56.4° |
| C59 | N54 | C55 | H29 | 61.3° | 61.2° |
| C59 | N54 | C55 | H30 | 178.6° | 178.6° |
| N54 | C59 | C58 | H33 | 63.4° | 176.8° |
| N54 | C59 | C58 | H34 | 176.5° | 63.1° |
| N54 | C59 | H35 | H36 | 120.1° | 120.2° |
| C65 | C22 | C24 | O21 | 121.8° | 122.3° |
| C65 | C22 | C24 | H7 | 118.7° | 119.4° |
| C65 | C22 | O21 | H7 | 118.0° | 118.3° |
| C65 | C22 | C24 | N26 | 83.1° | 87.2° |
| C65 | C22 | C24 | O25 | 96.6° | 92.8° |
| C65 | C22 | O21 | C19 | 37.7° | 58.8° |
| C22 | C65 | H49 | H50 | 120.0° | 120.0° |
| C22 | C65 | H49 | H51 | 120.0° | 120.1° |
| C22 | C65 | H50 | H51 | 120.0° | 120.1° |
| C80 | C79 | N78 | C75 | 176.0° | 177.6° |
| C80 | C79 | N78 | H71 | 119.9° | 120.0° |
| C80 | C79 | N78 | H72 | 119.9° | 119.9° |
| C80 | C79 | H71 | H72 | 120.2° | 120.0° |
| C79 | C80 | H73 | H74 | 120.1° | 120.2° |
| C77 | C76 | C75 | H69 | 180.0° | 179.4° |
| C77 | C76 | C75 | N78 | 180.0° | 179.8° |
| C76 | C77 | C72 | H70 | 180.0° | 179.5° |
| C77 | C76 | C75 | C74 | 0.0° | 0.3° |
| C76 | C77 | C72 | C71 | 180.0° | 179.8° |
| C76 | C77 | C72 | C73 | 0.1° | 0.6° |
| C76 | C75 | N78 | C74 | 179.9° | 179.9° |
| C76 | C75 | N78 | C79 | 167.1° | 123.7° |
| C75 | C76 | C77 | C72 | 0.1° | 0.6° |
| C76 | C75 | C74 | C73 | 0.1° | 0.0° |
| C76 | C75 | C74 | H68 | 179.9° | 179.9° |
| C75 | C76 | C77 | H70 | 179.9° | 179.9° |
| N78 | C75 | C74 | C73 | 180.0° | 179.9° |
| N78 | C75 | C74 | H68 | 0.1° | 0.0° |
| N78 | C75 | C76 | H69 | 0.0° | 0.4° |
| C75 | N78 | C79 | H71 | 64.0° | 62.4° |
| C75 | N78 | C79 | H72 | 56.1° | 57.7° |
| C75 | N78 | C83 | H77 | 55.9° | 57.8° |
| C75 | N78 | C83 | H78 | 64.2° | 62.4° |
| C79 | N78 | C75 | C74 | 12.8° | 56.4° |
| N78 | C79 | H71 | H72 | 120.2° | 120.1° |
| N78 | C79 | C80 | H73 | 121.6° | 63.0° |
| N78 | C79 | C80 | H74 | 118.4° | 176.8° |
| C79 | N78 | C83 | H77 | 177.9° | 178.5° |
| C79 | N78 | C83 | H78 | 62.0° | 61.3° |
| O40 | C39 | C37 | O41 | 179.4° | 179.9° |
| O40 | C39 | C37 | N36 | 123.5° | 32.1° |
| O40 | C39 | C37 | C42 | 106.1° | 91.6° |
| O40 | C39 | O41 | C2 | 80.1° | 3.4° |
| O40 | C39 | C37 | H10 | 7.8° | 149.9° |
| N54 | C51 | C52 | C50 | 180.0° | 180.0° |
| N54 | C51 | C52 | C53 | 180.0° | 179.8° |
| N54 | C51 | C50 | C49 | 180.0° | 180.0° |
| N54 | C51 | C50 | H26 | 0.1° | 0.0° |
| N54 | C51 | C52 | H27 | 0.1° | 0.0° |
| C51 | N54 | C55 | H29 | 63.8° | 62.5° |
| C51 | N54 | C55 | H30 | 56.3° | 57.6° |
| C51 | N54 | C59 | H35 | 55.5° | 57.7° |
| C51 | N54 | C59 | H36 | 64.6° | 62.5° |
| C64 | N26 | C24 | C22 | 0.3° | 3.9° |
| C64 | N26 | C27 | C29 | 116.3° | 115.5° |
| C64 | N26 | C24 | C27 | 180.0° | 179.6° |
| C64 | N26 | C24 | O25 | 180.0° | 176.0° |
| C64 | N26 | C27 | C60 | 116.2° | 121.3° |
| C64 | N26 | C27 | H8 | 0.0° | 2.3° |
| N26 | C64 | H46 | H47 | 120.0° | 120.0° |
| N26 | C64 | H46 | H48 | 120.0° | 120.0° |
| N26 | C64 | H47 | H48 | 120.0° | 120.0° |
| C88 | N6 | C7 | C4 | 179.7° | 179.9° |
| C88 | N6 | C7 | C9 | 113.6° | 115.3° |
| C88 | N6 | C7 | C84 | 119.6° | 121.4° |
| C88 | N6 | C4 | C2 | 0.5° | 3.5° |
| C88 | N6 | C4 | O5 | 179.7° | 176.2° |
| C88 | N6 | C7 | H61 | 2.8° | 2.4° |
| N6 | C88 | H88 | H89 | 120.0° | 120.0° |
| N6 | C88 | H88 | H90 | 120.0° | 120.1° |
| N6 | C88 | H89 | H90 | 120.0° | 120.0° |
| C46 | N36 | C37 | C39 | 109.5° | 115.5° |
| C46 | N36 | C37 | C34 | 179.7° | 179.9° |
| C46 | N36 | C37 | C42 | 120.5° | 121.1° |
| C46 | N36 | C34 | C32 | 0.4° | 3.2° |
| C46 | N36 | C34 | O35 | 179.9° | 176.7° |
| C46 | N36 | C37 | H10 | 6.0° | 2.2° |
| N36 | C46 | H20 | H21 | 120.0° | 120.0° |
| N36 | C46 | H20 | H22 | 120.0° | 120.0° |
| N36 | C46 | H21 | H22 | 120.0° | 120.0° |
| C51 | C52 | C53 | H27 | 180.0° | 179.8° |
| C51 | C52 | C53 | C48 | 0.2° | 0.5° |
| C52 | C51 | C50 | C49 | 0.1° | 0.0° |
| C52 | C51 | C50 | H26 | 179.9° | 180.0° |
| C51 | C52 | C53 | H28 | 179.8° | 180.0° |
| C53 | C52 | C51 | C50 | 0.1° | 0.3° |
| C52 | C53 | C48 | H28 | 180.0° | 179.5° |
| C52 | C53 | C48 | C49 | 0.3° | 0.5° |
| C52 | C53 | C48 | C47 | 180.0° | 179.7° |
| C70 | N16 | C17 | C14 | 179.3° | 179.6° |
| C70 | N16 | C17 | C19 | 110.2° | 115.3° |
| C70 | N16 | C17 | C66 | 123.4° | 121.4° |
| C70 | N16 | C14 | C12 | 0.2° | 4.1° |
| C70 | N16 | C14 | O15 | 179.2° | 175.7° |
| C70 | N16 | C17 | H5 | 5.5° | 2.5° |
| N16 | C70 | H62 | H63 | 120.0° | 120.0° |
| N16 | C70 | H62 | H64 | 120.0° | 120.0° |
| N16 | C70 | H63 | H64 | 120.0° | 120.0° |
| C77 | C72 | C71 | C73 | 180.0° | 179.7° |
| C77 | C72 | C73 | C74 | 0.0° | 0.3° |
| C77 | C72 | C71 | C12 | 100.3° | 90.3° |
| C77 | C72 | C71 | H65 | 19.8° | 149.7° |
| C77 | C72 | C71 | H66 | 139.7° | 29.7° |
| C77 | C72 | C73 | H67 | 180.0° | 179.8° |
| C72 | C77 | C76 | H69 | 180.0° | 180.0° |
| C75 | C74 | C73 | C72 | 0.1° | 0.1° |
| C75 | C74 | C73 | H68 | 180.0° | 180.0° |
| C75 | C74 | C73 | H67 | 179.9° | 179.9° |
| C74 | C75 | C76 | H69 | 179.9° | 179.7° |
| O30 | C29 | O31 | C27 | 178.6° | 179.9° |
| O30 | C29 | C27 | N26 | 4.5° | 33.3° |
| O30 | C29 | O31 | C32 | 88.0° | 2.7° |
| O30 | C29 | C27 | C60 | 122.4° | 90.4° |
| O30 | C29 | C27 | H8 | 121.2° | 151.2° |
| C87 | C85 | C84 | C7 | 70.6° | 174.1° |
| C87 | C85 | C84 | C86 | 119.7° | 120.1° |
| C87 | C85 | C84 | H81 | 120.2° | 120.0° |
| C87 | C85 | C86 | H81 | 120.2° | 120.0° |
| C87 | C85 | C84 | H79 | 169.2° | 65.8° |
| C87 | C85 | C84 | H80 | 49.6° | 54.1° |
| C87 | C85 | C86 | H82 | 180.0° | 176.0° |
| C87 | C85 | C86 | H83 | 60.0° | 56.0° |
| C87 | C85 | C86 | H84 | 60.0° | 63.9° |
| C85 | C87 | H85 | H86 | 120.0° | 120.1° |
| C85 | C87 | H85 | H87 | 120.0° | 119.9° |
| C85 | C87 | H86 | H87 | 120.0° | 120.0° |
| C51 | C50 | C49 | H26 | 180.0° | 180.0° |
| C51 | C50 | C49 | C48 | 0.2° | 0.0° |
| C51 | C50 | C49 | H25 | 179.8° | 180.0° |
| C50 | C51 | C52 | H27 | 179.9° | 180.0° |
| C39 | C37 | N36 | C42 | 130.0° | 123.4° |
| C39 | C37 | N36 | H10 | 115.5° | 117.7° |
| C39 | C37 | C42 | H10 | 114.0° | 118.2° |
| C39 | C37 | N36 | C34 | 70.9° | 64.4° |
| C37 | C39 | O41 | C2 | 100.6° | 176.7° |
| C39 | C37 | C42 | C43 | 159.8° | 171.9° |
| C39 | C37 | C42 | H11 | 80.1° | 68.1° |
| C39 | C37 | C42 | H12 | 39.6° | 51.9° |
| O41 | C39 | C37 | N36 | 55.8° | 148.0° |
| O41 | C39 | C37 | C42 | 74.5° | 88.3° |
| C39 | O41 | C2 | C4 | 131.6° | 64.3° |
| C39 | O41 | C2 | C1 | 3.2° | 58.0° |
| C39 | O41 | C2 | H6 | 112.5° | 176.3° |
| O41 | C39 | C37 | H10 | 171.6° | 30.2° |
| C53 | C48 | C49 | C50 | 0.3° | 0.3° |
| C53 | C48 | C49 | C47 | 179.6° | 179.7° |
| C53 | C48 | C47 | C32 | 90.2° | 90.2° |
| C53 | C48 | C47 | H23 | 30.0° | 149.7° |
| C53 | C48 | C47 | H24 | 149.6° | 29.7° |
| C53 | C48 | C49 | H25 | 179.7° | 179.7° |
| C48 | C53 | C52 | H27 | 179.8° | 179.7° |
| C24 | C22 | O21 | H7 | 119.0° | 119.5° |
| C22 | C24 | N26 | O25 | 179.7° | 179.9° |
| C22 | C24 | N26 | C27 | 179.8° | 175.7° |
| C24 | C22 | O21 | C19 | 85.3° | 63.4° |
| C24 | C22 | C65 | H49 | 180.0° | 60.0° |
| C24 | C22 | C65 | H50 | 60.0° | 180.0° |
| C24 | C22 | C65 | H51 | 60.0° | 60.0° |
| O21 | C22 | C24 | N26 | 155.1° | 150.6° |
| O21 | C22 | C24 | O25 | 25.2° | 29.5° |
| C22 | O21 | C19 | C17 | 118.6° | 177.8° |
| C22 | O21 | C19 | O20 | 60.9° | 2.2° |
| O21 | C22 | C65 | H49 | 57.5° | 62.3° |
| O21 | C22 | C65 | H50 | 177.6° | 57.7° |
| O21 | C22 | C65 | H51 | 62.5° | 177.7° |
| O31 | C29 | C27 | N26 | 174.1° | 146.7° |
| O31 | C29 | C27 | C60 | 58.9° | 89.6° |
| C29 | O31 | C32 | C34 | 89.9° | 63.7° |
| C29 | O31 | C32 | C47 | 142.2° | 58.6° |
| O31 | C29 | C27 | H8 | 57.5° | 28.9° |
| C29 | O31 | C32 | H9 | 27.4° | 176.9° |
| C29 | C27 | N26 | C24 | 63.7° | 64.9° |
| C29 | C27 | N26 | C60 | 127.4° | 123.3° |
| C29 | C27 | N26 | H8 | 116.3° | 117.7° |
| C27 | C29 | O31 | C32 | 93.4° | 177.3° |
| C29 | C27 | C60 | H8 | 116.5° | 118.1° |
| C29 | C27 | C60 | C61 | 175.2° | 177.1° |
| C29 | C27 | C60 | H37 | 64.4° | 62.9° |
| C29 | C27 | C60 | H38 | 54.9° | 57.1° |
| C24 | N26 | C27 | C60 | 63.7° | 58.3° |
| N26 | C24 | C22 | H7 | 35.6° | 32.2° |
| C24 | N26 | C27 | H8 | 180.0° | 177.3° |
| C24 | N26 | C64 | H46 | 180.0° | 0.0° |
| C24 | N26 | C64 | H47 | 60.0° | 120.0° |
| C24 | N26 | C64 | H48 | 60.0° | 120.0° |
| C27 | N26 | C24 | O25 | 0.1° | 4.4° |
| N26 | C27 | C60 | H8 | 116.7° | 118.9° |
| N26 | C27 | C60 | C61 | 57.9° | 59.9° |
| N26 | C27 | C60 | H37 | 62.4° | 60.1° |
| N26 | C27 | C60 | H38 | 178.2° | 179.9° |
| C27 | N26 | C64 | H46 | 0.0° | 179.6° |
| C27 | N26 | C64 | H47 | 120.0° | 59.5° |
| C27 | N26 | C64 | H48 | 119.9° | 60.4° |
| N36 | C37 | C42 | H10 | 114.9° | 118.7° |
| C37 | N36 | C34 | C32 | 179.2° | 176.9° |
| C37 | N36 | C34 | O35 | 0.3° | 3.2° |
| N36 | C37 | C42 | C43 | 69.1° | 65.0° |
| N36 | C37 | C42 | H11 | 51.1° | 55.0° |
| N36 | C37 | C42 | H12 | 170.7° | 175.0° |
| C37 | N36 | C46 | H20 | 180.0° | 90.0° |
| C37 | N36 | C46 | H21 | 60.0° | 150.0° |
| C37 | N36 | C46 | H22 | 60.0° | 30.0° |
| C37 | C42 | C43 | C45 | 66.5° | 65.0° |
| C42 | C37 | N36 | C34 | 59.1° | 59.0° |
| C37 | C42 | C43 | H11 | 120.2° | 120.0° |
| C37 | C42 | C43 | H12 | 120.2° | 120.0° |
| C37 | C42 | C43 | C44 | 174.5° | 175.0° |
| C37 | C42 | H11 | H12 | 119.4° | 120.0° |
| C37 | C42 | C43 | H13 | 54.1° | 55.0° |
| O31 | C32 | C34 | N36 | 52.9° | 150.8° |
| O31 | C32 | C47 | C48 | 8.9° | 62.6° |
| O31 | C32 | C34 | C47 | 127.4° | 122.4° |
| O31 | C32 | C34 | H9 | 117.8° | 118.3° |
| O31 | C32 | C34 | O35 | 127.6° | 29.4° |
| O31 | C32 | C47 | H9 | 115.3° | 117.6° |
| O31 | C32 | C47 | H23 | 111.3° | 177.4° |
| O31 | C32 | C47 | H24 | 129.0° | 57.4° |
| C45 | C43 | C42 | C44 | 119.0° | 120.0° |
| C45 | C43 | C42 | H13 | 120.6° | 120.0° |
| C45 | C43 | C44 | H13 | 120.5° | 120.0° |
| C45 | C43 | C42 | H11 | 173.3° | 175.0° |
| C45 | C43 | C42 | H12 | 53.7° | 55.0° |
| C45 | C43 | C44 | H14 | 180.0° | 60.0° |
| C45 | C43 | C44 | H15 | 60.0° | 60.0° |
| C45 | C43 | C44 | H16 | 60.0° | 180.0° |
| C43 | C45 | H17 | H18 | 120.0° | 120.0° |
| C43 | C45 | H17 | H19 | 120.0° | 120.0° |
| C43 | C45 | H18 | H19 | 120.0° | 120.0° |
| N36 | C34 | C32 | O35 | 179.5° | 179.9° |
| N36 | C34 | C32 | C47 | 74.5° | 86.9° |
| N36 | C34 | C32 | H9 | 170.7° | 32.5° |
| C34 | N36 | C37 | H10 | 173.6° | 177.9° |
| C34 | N36 | C46 | H20 | 0.3° | 89.9° |
| C34 | N36 | C46 | H21 | 119.7° | 30.1° |
| C34 | N36 | C46 | H22 | 120.3° | 150.1° |
| N6 | C7 | C9 | C84 | 127.9° | 123.7° |
| N6 | C7 | C9 | H61 | 116.7° | 117.8° |
| N6 | C7 | C84 | H61 | 117.1° | 118.8° |
| N6 | C7 | C9 | O11 | 179.1° | 148.7° |
| N6 | C7 | C9 | O10 | 1.5° | 31.4° |
| N6 | C7 | C84 | C85 | 65.7° | 174.1° |
| C7 | N6 | C4 | C2 | 179.8° | 176.5° |
| C7 | N6 | C4 | O5 | 0.1° | 3.7° |
| N6 | C7 | C84 | H79 | 54.4° | 54.1° |
| N6 | C7 | C84 | H80 | 174.1° | 65.9° |
| C7 | N6 | C88 | H88 | 180.0° | 90.0° |
| C7 | N6 | C88 | H89 | 60.0° | 150.0° |
| C7 | N6 | C88 | H90 | 60.0° | 30.0° |
| C9 | C7 | C84 | H61 | 115.5° | 118.1° |
| C9 | C7 | N6 | C4 | 66.1° | 64.6° |
| C7 | C9 | O11 | O10 | 179.3° | 179.9° |
| C7 | C9 | O11 | C12 | 119.4° | 177.2° |
| C9 | C7 | C84 | C85 | 166.8° | 62.8° |
| C9 | C7 | C84 | H79 | 73.0° | 177.2° |
| C9 | C7 | C84 | H80 | 46.7° | 57.2° |
| C84 | C7 | N6 | C4 | 60.8° | 58.7° |
| C84 | C7 | C9 | O11 | 51.2° | 87.6° |
| C84 | C7 | C9 | O10 | 129.5° | 92.4° |
| C7 | C84 | C85 | H79 | 120.2° | 120.0° |
| C7 | C84 | C85 | H80 | 120.2° | 120.0° |
| C7 | C84 | C85 | C86 | 169.7° | 65.8° |
| C7 | C84 | H79 | H80 | 119.5° | 120.0° |
| C7 | C84 | C85 | H81 | 49.6° | 54.2° |
| N6 | C4 | C2 | O41 | 56.1° | 150.3° |
| N6 | C4 | C2 | O5 | 179.7° | 179.8° |
| N6 | C4 | C2 | C1 | 73.4° | 87.4° |
| N6 | C4 | C2 | H6 | 172.4° | 32.0° |
| C4 | N6 | C7 | H61 | 177.5° | 177.6° |
| C4 | N6 | C88 | H88 | 0.4° | 89.9° |
| C4 | N6 | C88 | H89 | 120.3° | 30.1° |
| C4 | N6 | C88 | H90 | 119.7° | 150.1° |
| C9 | O11 | C12 | C71 | 164.6° | 58.3° |
| C9 | O11 | C12 | C14 | 68.0° | 64.0° |
| C9 | O11 | C12 | H4 | 48.6° | 176.5° |
| O11 | C9 | C7 | H61 | 64.2° | 30.9° |
| C12 | O11 | C9 | O10 | 61.3° | 2.8° |
| O11 | C12 | C14 | N16 | 54.0° | 150.1° |
| O11 | C12 | C71 | C72 | 30.5° | 62.6° |
| O11 | C12 | C71 | C14 | 127.0° | 122.5° |
| O11 | C12 | C71 | H4 | 116.6° | 117.7° |
| O11 | C12 | C14 | H4 | 117.0° | 118.3° |
| O11 | C12 | C14 | O15 | 125.1° | 30.1° |
| O11 | C12 | C71 | H65 | 89.6° | 177.4° |
| O11 | C12 | C71 | H66 | 150.5° | 57.4° |
| O10 | C9 | C7 | H61 | 115.2° | 149.2° |
| C69 | C67 | C66 | C17 | 61.8° | 65.0° |
| C69 | C67 | C66 | C68 | 119.7° | 120.0° |
| C69 | C67 | C66 | H54 | 120.4° | 120.0° |
| C69 | C67 | C68 | H54 | 120.2° | 120.0° |
| C69 | C67 | C66 | H52 | 178.1° | 175.0° |
| C69 | C67 | C66 | H53 | 58.4° | 55.0° |
| C69 | C67 | C68 | H55 | 180.0° | 60.0° |
| C69 | C67 | C68 | H56 | 60.0° | 60.0° |
| C69 | C67 | C68 | H57 | 60.0° | 180.0° |
| C67 | C69 | H58 | H59 | 120.0° | 120.0° |
| C67 | C69 | H58 | H60 | 120.0° | 120.0° |
| C67 | C69 | H59 | H60 | 120.0° | 120.1° |
| O25 | C24 | C22 | H7 | 144.7° | 147.8° |
| C27 | C60 | C61 | C63 | 62.9° | 65.9° |
| C27 | C60 | C61 | H37 | 120.3° | 120.0° |
| C27 | C60 | C61 | H38 | 120.3° | 120.0° |
| C27 | C60 | C61 | C62 | 177.0° | 174.1° |
| C27 | C60 | H37 | H38 | 119.0° | 120.1° |
| C27 | C60 | C61 | H39 | 57.2° | 54.1° |
| O41 | C2 | C4 | C1 | 129.5° | 122.3° |
| O41 | C2 | C4 | H6 | 116.3° | 118.3° |
| O41 | C2 | C4 | O5 | 124.2° | 29.9° |
| O41 | C2 | C1 | H6 | 116.2° | 117.7° |
| O41 | C2 | C1 | H1 | 180.0° | 62.4° |
| O41 | C2 | C1 | H2 | 60.0° | 57.7° |
| O41 | C2 | C1 | H3 | 60.0° | 177.7° |
| N16 | C17 | C19 | C66 | 128.4° | 123.7° |
| N16 | C17 | C19 | H5 | 116.1° | 117.9° |
| N16 | C17 | C66 | H5 | 118.2° | 118.8° |
| N16 | C17 | C19 | O21 | 168.5° | 147.5° |
| N16 | C17 | C19 | O20 | 11.1° | 32.5° |
| C17 | N16 | C14 | C12 | 179.1° | 175.4° |
| C17 | N16 | C14 | O15 | 0.1° | 4.7° |
| N16 | C17 | C66 | C67 | 57.3° | 62.0° |
| N16 | C17 | C66 | H52 | 62.9° | 58.0° |
| N16 | C17 | C66 | H53 | 177.4° | 178.0° |
| C17 | N16 | C70 | H62 | 180.0° | 90.0° |
| C17 | N16 | C70 | H63 | 60.0° | 150.0° |
| C17 | N16 | C70 | H64 | 60.0° | 30.0° |
| C14 | N16 | C17 | C19 | 69.1° | 65.1° |
| C14 | N16 | C17 | C66 | 57.3° | 58.2° |
| N16 | C14 | C12 | C71 | 72.8° | 87.5° |
| N16 | C14 | C12 | O15 | 179.1° | 179.8° |
| N16 | C14 | C12 | H4 | 171.0° | 31.7° |
| C14 | N16 | C17 | H5 | 175.1° | 177.1° |
| C14 | N16 | C70 | H62 | 0.7° | 90.5° |
| C14 | N16 | C70 | H63 | 120.7° | 29.6° |
| C14 | N16 | C70 | H64 | 119.4° | 149.5° |
| C71 | C72 | C73 | C74 | 180.0° | 180.0° |
| C72 | C71 | C12 | H65 | 120.0° | 120.0° |
| C72 | C71 | C12 | H66 | 120.0° | 120.0° |
| C72 | C71 | C12 | C14 | 157.5° | 175.0° |
| C72 | C71 | C12 | H4 | 86.2° | 55.1° |
| C72 | C71 | H65 | H66 | 119.8° | 120.0° |
| C71 | C72 | C73 | H67 | 0.0° | 0.1° |
| C71 | C72 | C77 | H70 | 0.0° | 0.2° |
| C72 | C73 | C74 | H67 | 180.0° | 179.9° |
| C73 | C72 | C71 | C12 | 79.7° | 90.1° |
| C73 | C72 | C71 | H65 | 160.2° | 30.0° |
| C73 | C72 | C71 | H66 | 40.4° | 150.0° |
| C72 | C73 | C74 | H68 | 179.9° | 179.9° |
| C73 | C72 | C77 | H70 | 179.9° | 179.9° |
| C19 | C17 | C66 | H5 | 115.7° | 118.2° |
| C17 | C19 | O21 | O20 | 179.5° | 180.0° |
| C19 | C17 | C66 | C67 | 176.6° | 175.0° |
| C19 | C17 | C66 | H52 | 63.2° | 65.0° |
| C19 | C17 | C66 | H53 | 56.5° | 55.0° |
| C66 | C17 | C19 | O21 | 63.1° | 88.8° |
| C66 | C17 | C19 | O20 | 117.3° | 91.1° |
| C17 | C66 | C67 | H52 | 120.1° | 120.0° |
| C17 | C66 | C67 | H53 | 120.1° | 120.0° |
| C17 | C66 | C67 | C68 | 178.5° | 175.0° |
| C17 | C66 | H52 | H53 | 119.6° | 120.0° |
| C17 | C66 | C67 | H54 | 58.6° | 55.0° |
| C50 | C49 | C48 | H25 | 180.0° | 180.0° |
| C50 | C49 | C48 | C47 | 180.0° | 180.0° |
| C84 | C85 | C86 | H81 | 120.2° | 120.0° |
| C85 | C84 | C7 | H61 | 51.3° | 55.3° |
| C85 | C84 | H79 | H80 | 119.5° | 120.0° |
| C84 | C85 | C86 | H82 | 60.3° | 56.0° |
| C84 | C85 | C86 | H83 | 59.7° | 64.1° |
| C84 | C85 | C86 | H84 | 179.7° | 176.0° |
| C84 | C85 | C87 | H85 | 180.0° | 59.9° |
| C84 | C85 | C87 | H86 | 60.0° | 180.0° |
| C84 | C85 | C87 | H87 | 60.0° | 60.0° |
| C86 | C85 | C84 | H79 | 49.6° | 54.2° |
| C86 | C85 | C84 | H80 | 70.1° | 174.2° |
| C85 | C86 | H82 | H83 | 120.0° | 120.0° |
| C85 | C86 | H82 | H84 | 120.0° | 120.0° |
| C85 | C86 | H83 | H84 | 120.0° | 119.9° |
| C86 | C85 | C87 | H85 | 60.3° | 180.0° |
| C86 | C85 | C87 | H86 | 59.7° | 60.0° |
| C86 | C85 | C87 | H87 | 179.7° | 60.1° |
| O21 | C19 | C17 | H5 | 52.4° | 29.6° |
| C19 | O21 | C22 | H7 | 155.7° | 177.1° |
| O20 | C19 | C17 | H5 | 127.1° | 150.4° |
| C49 | C48 | C47 | C32 | 90.1° | 90.0° |
| C49 | C48 | C47 | H23 | 149.7° | 30.0° |
| C49 | C48 | C47 | H24 | 30.0° | 150.0° |
| C48 | C49 | C50 | H26 | 179.8° | 180.0° |
| C49 | C48 | C53 | H28 | 179.6° | 180.0° |
| C48 | C47 | C32 | C34 | 138.6° | 174.9° |
| C48 | C47 | C32 | H23 | 120.2° | 120.0° |
| C48 | C47 | C32 | H24 | 120.1° | 120.0° |
| C48 | C47 | C32 | H9 | 106.5° | 55.0° |
| C48 | C47 | H23 | H24 | 119.4° | 120.0° |
| C47 | C48 | C49 | H25 | 0.0° | 0.0° |
| C47 | C48 | C53 | H28 | 0.0° | 0.2° |
| C34 | C32 | C47 | H9 | 114.9° | 119.9° |
| C34 | C32 | C47 | H23 | 18.4° | 54.9° |
| C34 | C32 | C47 | H24 | 101.2° | 65.1° |
| O35 | C34 | C32 | C47 | 105.0° | 93.0° |
| O35 | C34 | C32 | H9 | 9.9° | 147.7° |
| C71 | C12 | C14 | H4 | 116.2° | 119.3° |
| C71 | C12 | C14 | O15 | 108.1° | 92.3° |
| C12 | C71 | H65 | H66 | 119.9° | 120.0° |
| C32 | C47 | H23 | H24 | 119.5° | 120.0° |
| C42 | C43 | C44 | H13 | 120.4° | 120.0° |
| C43 | C42 | C37 | H10 | 45.8° | 53.7° |
| C43 | C42 | H11 | H12 | 119.4° | 120.0° |
| C42 | C43 | C44 | H14 | 60.9° | 60.0° |
| C42 | C43 | C44 | H15 | 59.1° | 180.0° |
| C42 | C43 | C44 | H16 | 179.1° | 60.0° |
| C42 | C43 | C45 | H17 | 180.0° | 180.0° |
| C42 | C43 | C45 | H18 | 60.0° | 60.0° |
| C42 | C43 | C45 | H19 | 60.0° | 60.0° |
| C44 | C43 | C42 | H11 | 54.3° | 55.0° |
| C44 | C43 | C42 | H12 | 65.3° | 65.0° |
| C43 | C44 | H14 | H15 | 120.0° | 120.0° |
| C43 | C44 | H14 | H16 | 120.0° | 120.0° |
| C43 | C44 | H15 | H16 | 120.0° | 120.0° |
| C44 | C43 | C45 | H17 | 61.0° | 60.0° |
| C44 | C43 | C45 | H18 | 59.0° | 60.0° |
| C44 | C43 | C45 | H19 | 179.0° | 180.0° |
| C4 | C2 | C1 | H6 | 114.3° | 119.9° |
| C4 | C2 | C1 | H1 | 50.5° | 60.1° |
| C4 | C2 | C1 | H2 | 69.5° | 179.9° |
| C4 | C2 | C1 | H3 | 170.5° | 59.9° |
| O5 | C4 | C2 | C1 | 106.4° | 92.4° |
| O5 | C4 | C2 | H6 | 7.8° | 148.2° |
| C14 | C12 | C71 | H65 | 37.5° | 55.0° |
| C14 | C12 | C71 | H66 | 82.4° | 65.1° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 119.9° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| O15 | C14 | C12 | H4 | 8.1° | 148.4° |
| C63 | C61 | C60 | C62 | 120.1° | 120.0° |
| C63 | C61 | C60 | H39 | 120.1° | 120.0° |
| C63 | C61 | C62 | H39 | 119.8° | 120.0° |
| C63 | C61 | C60 | H37 | 176.7° | 174.0° |
| C63 | C61 | C60 | H38 | 57.4° | 54.1° |
| C63 | C61 | C62 | H40 | 180.0° | 64.9° |
| C63 | C61 | C62 | H41 | 60.0° | 175.1° |
| C63 | C61 | C62 | H42 | 60.0° | 55.1° |
| C61 | C63 | H43 | H44 | 120.0° | 120.0° |
| C61 | C63 | H43 | H45 | 120.0° | 120.0° |
| C61 | C63 | H44 | H45 | 120.0° | 120.0° |
| C66 | C67 | C68 | H54 | 119.9° | 120.0° |
| C67 | C66 | C17 | H5 | 61.0° | 56.8° |
| C67 | C66 | H52 | H53 | 119.5° | 120.0° |
| C66 | C67 | C68 | H55 | 60.1° | 60.0° |
| C66 | C67 | C68 | H56 | 60.0° | 180.0° |
| C66 | C67 | C68 | H57 | 179.9° | 60.0° |
| C66 | C67 | C69 | H58 | 180.0° | 60.0° |
| C66 | C67 | C69 | H59 | 60.0° | 60.0° |
| C66 | C67 | C69 | H60 | 60.0° | 180.0° |
| C68 | C67 | C66 | H52 | 58.4° | 55.0° |
| C68 | C67 | C66 | H53 | 61.4° | 65.0° |
| C67 | C68 | H55 | H56 | 120.0° | 120.0° |
| C67 | C68 | H55 | H57 | 120.0° | 120.0° |
| C67 | C68 | H56 | H57 | 120.0° | 120.0° |
| C68 | C67 | C69 | H58 | 60.6° | 60.0° |
| C68 | C67 | C69 | H59 | 59.4° | 180.0° |
| C68 | C67 | C69 | H60 | 179.4° | 60.0° |
| C60 | C61 | C62 | H39 | 119.8° | 120.0° |
| C61 | C60 | C27 | H8 | 58.8° | 58.9° |
| C61 | C60 | H37 | H38 | 119.0° | 119.9° |
| C60 | C61 | C62 | H40 | 59.6° | 175.1° |
| C60 | C61 | C62 | H41 | 60.4° | 55.2° |
| C60 | C61 | C62 | H42 | 179.6° | 64.9° |
| C60 | C61 | C63 | H43 | 180.0° | 60.0° |
| C60 | C61 | C63 | H44 | 60.0° | 180.0° |
| C60 | C61 | C63 | H45 | 60.0° | 60.0° |
| C62 | C61 | C60 | H37 | 56.6° | 54.1° |
| C62 | C61 | C60 | H38 | 62.7° | 65.9° |
| C61 | C62 | H40 | H41 | 120.0° | 120.0° |
| C61 | C62 | H40 | H42 | 120.0° | 120.0° |
| C61 | C62 | H41 | H42 | 120.0° | 120.0° |
| C62 | C61 | C63 | H43 | 60.0° | 180.0° |
| C62 | C61 | C63 | H44 | 60.0° | 60.0° |
| C62 | C61 | C63 | H45 | 179.9° | 60.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H6 | 63.8° | 180.0° |
| H2 | C1 | C2 | H6 | 176.2° | 60.0° |
| H3 | C1 | C2 | H6 | 56.2° | 60.0° |
| H4 | C12 | C71 | H65 | 153.8° | 64.9° |
| H4 | C12 | C71 | H66 | 33.9° | 175.1° |
| H5 | C17 | C66 | H52 | 178.9° | 176.8° |
| H5 | C17 | C66 | H53 | 59.2° | 63.2° |
| H7 | C22 | C65 | H49 | 61.2° | 180.0° |
| H7 | C22 | C65 | H50 | 58.8° | 60.1° |
| H7 | C22 | C65 | H51 | 178.8° | 59.9° |
| H8 | C27 | C60 | H37 | 179.1° | 178.9° |
| H8 | C27 | C60 | H38 | 61.6° | 61.1° |
| H9 | C32 | C47 | H23 | 133.4° | 65.0° |
| H9 | C32 | C47 | H24 | 13.7° | 175.0° |
| H10 | C37 | C42 | H11 | 165.9° | 173.7° |
| H10 | C37 | C42 | H12 | 74.4° | 66.3° |
| H11 | C42 | C43 | H13 | 66.1° | 65.0° |
| H12 | C42 | C43 | H13 | 174.3° | 175.0° |
| H13 | C43 | C44 | H14 | 59.5° | 180.0° |
| H13 | C43 | C44 | H15 | 179.5° | 60.0° |
| H13 | C43 | C44 | H16 | 60.5° | 60.0° |
| H13 | C43 | C45 | H17 | 59.4° | 60.0° |
| H13 | C43 | C45 | H18 | 179.4° | 180.0° |
| H13 | C43 | C45 | H19 | 60.5° | 60.0° |
| H14 | C44 | H15 | H16 | 120.0° | 120.0° |
| H17 | C45 | H18 | H19 | 120.0° | 120.0° |
| H20 | C46 | H21 | H22 | 120.0° | 120.0° |
| H25 | C49 | C50 | H26 | 0.2° | 0.0° |
| H27 | C52 | C53 | H28 | 0.3° | 0.2° |
| H29 | C55 | C56 | H31 | 56.7° | 177.0° |
| H29 | C55 | C56 | H32 | 176.7° | 56.9° |
| H30 | C55 | C56 | H31 | 63.5° | 56.9° |
| H30 | C55 | C56 | H32 | 56.6° | 63.3° |
| H33 | C58 | C59 | H35 | 56.5° | 63.3° |
| H33 | C58 | C59 | H36 | 176.6° | 56.9° |
| H34 | C58 | C59 | H35 | 63.5° | 56.8° |
| H34 | C58 | C59 | H36 | 56.5° | 177.0° |
| H37 | C60 | C61 | H39 | 63.2° | 66.0° |
| H38 | C60 | C61 | H39 | 177.5° | 174.1° |
| H39 | C61 | C62 | H40 | 60.1° | 55.1° |
| H39 | C61 | C62 | H41 | 179.8° | 64.9° |
| H39 | C61 | C62 | H42 | 59.9° | 175.1° |
| H39 | C61 | C63 | H43 | 59.9° | 60.0° |
| H39 | C61 | C63 | H44 | 179.9° | 60.0° |
| H39 | C61 | C63 | H45 | 60.1° | 180.0° |
| H40 | C62 | H41 | H42 | 120.0° | 120.0° |
| H43 | C63 | H44 | H45 | 120.0° | 120.0° |
| H46 | C64 | H47 | H48 | 120.0° | 120.0° |
| H49 | C65 | H50 | H51 | 120.0° | 119.9° |
| H52 | C66 | C67 | H54 | 61.5° | 65.0° |
| H53 | C66 | C67 | H54 | 178.8° | 175.1° |
| H54 | C67 | C68 | H55 | 59.8° | 180.0° |
| H54 | C67 | C68 | H56 | 179.8° | 60.0° |
| H54 | C67 | C68 | H57 | 60.2° | 60.0° |
| H54 | C67 | C69 | H58 | 59.6° | 180.0° |
| H54 | C67 | C69 | H59 | 179.6° | 60.0° |
| H54 | C67 | C69 | H60 | 60.4° | 60.0° |
| H55 | C68 | H56 | H57 | 120.0° | 120.1° |
| H58 | C69 | H59 | H60 | 120.0° | 119.9° |
| H61 | C7 | C84 | H79 | 171.5° | 64.6° |
| H61 | C7 | C84 | H80 | 68.8° | 175.4° |
| H62 | C70 | H63 | H64 | 120.0° | 120.0° |
| H67 | C73 | C74 | H68 | 0.1° | 0.0° |
| H69 | C76 | C77 | H70 | 0.0° | 0.5° |
| H71 | C79 | C80 | H73 | 1.6° | 177.0° |
| H71 | C79 | C80 | H74 | 121.7° | 56.8° |
| H72 | C79 | C80 | H73 | 118.5° | 57.0° |
| H72 | C79 | C80 | H74 | 1.6° | 63.2° |
| H75 | C82 | C83 | H77 | 0.1° | 63.2° |
| H75 | C82 | C83 | H78 | 120.2° | 56.9° |
| H76 | C82 | C83 | H77 | 120.0° | 56.8° |
| H76 | C82 | C83 | H78 | 0.2° | 176.9° |
| H79 | C84 | C85 | H81 | 70.6° | 174.2° |
| H80 | C84 | C85 | H81 | 169.7° | 65.9° |
| H81 | C85 | C86 | H82 | 59.8° | 64.0° |
| H81 | C85 | C86 | H83 | 179.8° | 176.0° |
| H81 | C85 | C86 | H84 | 60.2° | 56.0° |
| H81 | C85 | C87 | H85 | 59.8° | 60.1° |
| H81 | C85 | C87 | H86 | 179.8° | 60.0° |
| H81 | C85 | C87 | H87 | 60.2° | 180.0° |
| H82 | C86 | H83 | H84 | 120.0° | 120.0° |
| H85 | C87 | H86 | H87 | 120.0° | 119.9° |
| H88 | C88 | H89 | H90 | 120.0° | 120.0° |
