A1B0Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C65 | N64 | sing | 1.47Å | 1.55Å | |
| C63 | C62 | sing | 1.53Å | 1.55Å | |
| N64 | C62 | sing | 1.47Å | 1.55Å | |
| N64 | C66 | sing | 1.47Å | 1.55Å | |
| C62 | C61 | sing | 1.53Å | 1.55Å | |
| C67 | C66 | sing | 1.53Å | 1.54Å | |
| C66 | C68 | sing | 1.53Å | 1.55Å | |
| C61 | N60 | sing | 1.47Å | 1.47Å | |
| C68 | N60 | sing | 1.47Å | 1.47Å | |
| N60 | C59 | sing | 1.40Å | 1.40Å | |
| C59 | C69 | doub | 1.39Å | 1.40Å | Aromatic |
| C59 | C44 | sing | 1.40Å | 1.41Å | Aromatic |
| F56 | C55 | sing | 1.40Å | 1.33Å | |
| C69 | C42 | sing | 1.38Å | 1.39Å | Aromatic |
| F58 | C55 | sing | 1.40Å | 1.34Å | |
| N45 | C44 | sing | 1.40Å | 1.41Å | |
| N45 | C46 | sing | 1.35Å | 1.34Å | |
| C55 | C49 | sing | 1.51Å | 1.54Å | |
| C55 | F57 | sing | 1.40Å | 1.33Å | |
| C44 | C43 | doub | 1.38Å | 1.40Å | Aromatic |
| C50 | C49 | doub | 1.38Å | 1.41Å | Aromatic |
| C50 | C51 | sing | 1.39Å | 1.39Å | Aromatic |
| C49 | C48 | sing | 1.40Å | 1.42Å | Aromatic |
| F52 | C51 | sing | 1.35Å | 1.35Å | |
| C51 | C53 | doub | 1.39Å | 1.39Å | Aromatic |
| C42 | C41 | doub | 1.39Å | 1.40Å | Aromatic |
| C48 | C46 | sing | 1.48Å | 1.51Å | |
| C48 | C54 | doub | 1.40Å | 1.41Å | Aromatic |
| C53 | C54 | sing | 1.38Å | 1.39Å | Aromatic |
| C46 | O47 | doub | 1.22Å | 1.23Å | |
| C43 | C41 | sing | 1.39Å | 1.40Å | Aromatic |
| C41 | C40 | sing | 1.48Å | 1.49Å | |
| F39 | C38 | sing | 1.35Å | 1.35Å | |
| C40 | C38 | doub | 1.40Å | 1.40Å | Aromatic |
| C40 | C70 | sing | 1.39Å | 1.40Å | Aromatic |
| C38 | C37 | sing | 1.39Å | 1.39Å | Aromatic |
| C70 | C35 | doub | 1.40Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C25 | O26 | sing | 1.43Å | 1.43Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C27 | O26 | sing | 1.43Å | 1.43Å | |
| C28 | O29 | sing | 1.43Å | 1.43Å | |
| C37 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | O23 | sing | 1.43Å | 1.42Å | |
| C35 | C36 | sing | 1.40Å | 1.40Å | Aromatic |
| C35 | C33 | sing | 1.48Å | 1.52Å | |
| C22 | O23 | sing | 1.43Å | 1.43Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| O29 | C30 | sing | 1.43Å | 1.43Å | |
| N32 | C33 | sing | 1.35Å | 1.34Å | |
| N32 | C31 | sing | 1.47Å | 1.46Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C21 | O20 | sing | 1.43Å | 1.42Å | |
| C33 | O34 | doub | 1.22Å | 1.23Å | |
| O20 | C19 | sing | 1.43Å | 1.43Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| O17 | C18 | sing | 1.43Å | 1.43Å | |
| O17 | C16 | sing | 1.43Å | 1.43Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | O14 | sing | 1.43Å | 1.43Å | |
| O14 | C13 | sing | 1.43Å | 1.43Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C10 | O11 | sing | 1.43Å | 1.43Å | |
| C10 | C09 | sing | 1.53Å | 1.54Å | |
| C12 | O11 | sing | 1.43Å | 1.43Å | |
| C09 | O08 | sing | 1.43Å | 1.43Å | |
| O08 | C07 | sing | 1.43Å | 1.43Å | |
| C07 | C06 | sing | 1.53Å | 1.54Å | |
| O05 | C04 | sing | 1.43Å | 1.43Å | |
| O05 | C06 | sing | 1.43Å | 1.43Å | |
| C04 | C03 | sing | 1.53Å | 1.54Å | |
| C03 | N02 | sing | 1.47Å | 1.47Å | |
| N02 | C01 | sing | 1.35Å | 1.33Å | |
| O71 | C01 | doub | 1.22Å | 1.23Å | |
| C01 | C72 | sing | 1.41Å | 1.46Å | |
| C72 | C73 | doub | 1.36Å | 1.35Å | |
| C73 | C74 | sing | 1.41Å | 1.45Å | |
| C74 | N75 | sing | 1.38Å | 1.37Å | Aromatic |
| C74 | C94 | doub | 1.39Å | 1.39Å | Aromatic |
| N75 | C76 | sing | 1.34Å | 1.38Å | Aromatic |
| C97 | C96 | doub | 1.38Å | 1.39Å | Aromatic |
| C97 | C98 | sing | 1.39Å | 1.39Å | Aromatic |
| C96 | C95 | sing | 1.40Å | 1.40Å | Aromatic |
| CL99 | C98 | sing | 1.74Å | 1.72Å | |
| C98 | CA0 | doub | 1.38Å | 1.40Å | Aromatic |
| C95 | C94 | sing | 1.48Å | 1.48Å | |
| C95 | CA1 | doub | 1.40Å | 1.40Å | Aromatic |
| C94 | C77 | sing | 1.47Å | 1.41Å | Aromatic |
| CA0 | CA1 | sing | 1.38Å | 1.39Å | Aromatic |
| CA1 | FA2 | sing | 1.35Å | 1.35Å | |
| C76 | C77 | doub | 1.38Å | 1.40Å | Aromatic |
| C77 | C78 | sing | 1.47Å | 1.45Å | |
| C78 | O79 | doub | 1.22Å | 1.23Å | |
| C78 | N80 | sing | 1.35Å | 1.34Å | |
| N80 | C81 | sing | 1.46Å | 1.47Å | |
| CL85 | C84 | sing | 1.74Å | 1.73Å | |
| C83 | C84 | doub | 1.38Å | 1.39Å | Aromatic |
| C83 | C82 | sing | 1.38Å | 1.40Å | Aromatic |
| C81 | C82 | sing | 1.51Å | 1.54Å | |
| C81 | C90 | sing | 1.53Å | 1.55Å | |
| C84 | C86 | sing | 1.39Å | 1.40Å | Aromatic |
| C82 | C89 | doub | 1.38Å | 1.40Å | Aromatic |
| C90 | C91 | sing | 1.51Å | 1.53Å | |
| C86 | F87 | sing | 1.35Å | 1.35Å | |
| C86 | C88 | doub | 1.38Å | 1.39Å | Aromatic |
| C89 | C88 | sing | 1.38Å | 1.40Å | Aromatic |
| C91 | O92 | doub | 1.21Å | 1.23Å | |
| C91 | N93 | sing | 1.35Å | 1.32Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C03 | H23 | sing | 1.09Å | 1.10Å | |
| C03 | H24 | sing | 1.09Å | 1.10Å | |
| C04 | H25 | sing | 1.09Å | 1.10Å | |
| C04 | H26 | sing | 1.09Å | 1.10Å | |
| C06 | H27 | sing | 1.09Å | 1.10Å | |
| C06 | H28 | sing | 1.09Å | 1.10Å | |
| C07 | H29 | sing | 1.09Å | 1.10Å | |
| C07 | H30 | sing | 1.09Å | 1.10Å | |
| C09 | H31 | sing | 1.09Å | 1.10Å | |
| C09 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| C31 | H40 | sing | 1.09Å | 1.10Å | |
| C36 | H41 | sing | 1.08Å | 1.08Å | |
| C37 | H42 | sing | 1.08Å | 1.08Å | |
| C42 | H43 | sing | 1.08Å | 1.08Å | |
| C43 | H44 | sing | 1.08Å | 1.08Å | |
| C50 | H45 | sing | 1.08Å | 1.08Å | |
| C53 | H46 | sing | 1.08Å | 1.08Å | |
| C54 | H47 | sing | 1.08Å | 1.08Å | |
| C61 | H48 | sing | 1.09Å | 1.10Å | |
| C61 | H49 | sing | 1.09Å | 1.10Å | |
| C62 | H50 | sing | 1.09Å | 1.10Å | |
| C63 | H51 | sing | 1.09Å | 1.10Å | |
| C63 | H52 | sing | 1.09Å | 1.10Å | |
| C63 | H53 | sing | 1.09Å | 1.10Å | |
| C65 | H54 | sing | 1.09Å | 1.10Å | |
| C65 | H55 | sing | 1.09Å | 1.10Å | |
| C65 | H56 | sing | 1.09Å | 1.10Å | |
| C66 | H57 | sing | 1.09Å | 1.10Å | |
| C67 | H58 | sing | 1.09Å | 1.10Å | |
| C67 | H59 | sing | 1.09Å | 1.10Å | |
| C67 | H60 | sing | 1.09Å | 1.10Å | |
| C68 | H61 | sing | 1.09Å | 1.10Å | |
| C68 | H62 | sing | 1.09Å | 1.10Å | |
| C69 | H63 | sing | 1.08Å | 1.08Å | |
| C70 | H64 | sing | 1.08Å | 1.08Å | |
| C72 | H65 | sing | 1.08Å | 1.08Å | |
| C73 | H66 | sing | 1.08Å | 1.08Å | |
| C76 | H67 | sing | 1.08Å | 1.08Å | |
| C81 | H68 | sing | 1.09Å | 1.10Å | |
| C83 | H69 | sing | 1.08Å | 1.08Å | |
| C88 | H70 | sing | 1.08Å | 1.08Å | |
| C89 | H71 | sing | 1.08Å | 1.08Å | |
| C90 | H72 | sing | 1.09Å | 1.10Å | |
| C90 | H73 | sing | 1.09Å | 1.10Å | |
| C96 | H74 | sing | 1.08Å | 1.08Å | |
| C97 | H75 | sing | 1.08Å | 1.08Å | |
| CA0 | H76 | sing | 1.08Å | 1.08Å | |
| N02 | H77 | sing | 0.97Å | 1.00Å | |
| N32 | H78 | sing | 0.97Å | 1.00Å | |
| N45 | H79 | sing | 0.97Å | 1.00Å | |
| N75 | H81 | sing | 0.97Å | 1.00Å | |
| N80 | H82 | sing | 0.97Å | 1.00Å | |
| N93 | H83 | sing | 0.97Å | 1.00Å | |
| N93 | H84 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C65 | N64 | C62 | 110.2° | 111.0° |
| C65 | N64 | C66 | 110.4° | 110.9° |
| N64 | C65 | H54 | 109.5° | 109.5° |
| N64 | C65 | H55 | 109.4° | 109.5° |
| N64 | C65 | H56 | 109.5° | 109.4° |
| C63 | C62 | N64 | 108.0° | 109.5° |
| C63 | C62 | C61 | 109.8° | 109.5° |
| C63 | C62 | H50 | 109.0° | 109.5° |
| C62 | C63 | H51 | 109.5° | 109.5° |
| C62 | C63 | H52 | 109.5° | 109.4° |
| C62 | C63 | H53 | 109.5° | 109.5° |
| C62 | N64 | C66 | 113.8° | 110.9° |
| N64 | C62 | C61 | 112.2° | 109.3° |
| N64 | C62 | H50 | 108.9° | 109.5° |
| N64 | C66 | C67 | 108.0° | 109.6° |
| N64 | C66 | C68 | 111.9° | 109.4° |
| N64 | C66 | H57 | 109.2° | 109.5° |
| C62 | C61 | N60 | 117.5° | 109.4° |
| C62 | C61 | H48 | 107.4° | 109.5° |
| C62 | C61 | H49 | 107.4° | 109.5° |
| C61 | C62 | H50 | 108.9° | 109.5° |
| C67 | C66 | C68 | 109.2° | 109.5° |
| C67 | C66 | H57 | 109.3° | 109.5° |
| C66 | C67 | H58 | 109.5° | 109.4° |
| C66 | C67 | H59 | 109.5° | 109.5° |
| C66 | C67 | H60 | 109.5° | 109.5° |
| C66 | C68 | N60 | 118.2° | 109.4° |
| C68 | C66 | H57 | 109.2° | 109.4° |
| C66 | C68 | H61 | 107.2° | 109.4° |
| C66 | C68 | H62 | 107.3° | 109.5° |
| C61 | N60 | C68 | 112.2° | 110.9° |
| C61 | N60 | C59 | 122.1° | 111.0° |
| N60 | C61 | H48 | 107.4° | 109.4° |
| N60 | C61 | H49 | 107.4° | 109.5° |
| C68 | N60 | C59 | 118.0° | 111.0° |
| N60 | C68 | H61 | 107.3° | 109.5° |
| N60 | C68 | H62 | 107.2° | 109.5° |
| N60 | C59 | C69 | 119.5° | 120.0° |
| N60 | C59 | C44 | 122.4° | 120.0° |
| C69 | C59 | C44 | 117.9° | 120.0° |
| C59 | C69 | C42 | 121.4° | 120.1° |
| C59 | C69 | H63 | 119.3° | 119.9° |
| C59 | C44 | N45 | 121.6° | 120.0° |
| C59 | C44 | C43 | 119.9° | 119.9° |
| F56 | C55 | F58 | 107.1° | 109.4° |
| F56 | C55 | C49 | 110.7° | 109.5° |
| F56 | C55 | F57 | 109.5° | 109.4° |
| C69 | C42 | C41 | 120.7° | 120.1° |
| C69 | C42 | H43 | 119.6° | 119.9° |
| C42 | C69 | H63 | 119.3° | 120.0° |
| F58 | C55 | C49 | 112.0° | 109.4° |
| F58 | C55 | F57 | 106.7° | 109.5° |
| C44 | N45 | C46 | 125.7° | 120.0° |
| N45 | C44 | C43 | 118.4° | 120.0° |
| C44 | N45 | H79 | 117.1° | 120.0° |
| N45 | C46 | C48 | 115.4° | 120.0° |
| N45 | C46 | O47 | 123.5° | 120.0° |
| C46 | N45 | H79 | 117.2° | 120.0° |
| C49 | C55 | F57 | 110.6° | 109.5° |
| C55 | C49 | C50 | 118.4° | 120.0° |
| C55 | C49 | C48 | 123.0° | 120.1° |
| C44 | C43 | C41 | 121.6° | 119.9° |
| C44 | C43 | H44 | 119.2° | 120.0° |
| C49 | C50 | C51 | 121.3° | 120.1° |
| C50 | C49 | C48 | 118.6° | 119.8° |
| C49 | C50 | H45 | 119.4° | 120.0° |
| C50 | C51 | F52 | 120.1° | 119.9° |
| C50 | C51 | C53 | 120.0° | 120.2° |
| C51 | C50 | H45 | 119.4° | 119.9° |
| C49 | C48 | C46 | 122.8° | 120.1° |
| C49 | C48 | C54 | 119.1° | 119.8° |
| F52 | C51 | C53 | 119.9° | 119.9° |
| C51 | C53 | C54 | 119.9° | 120.2° |
| C51 | C53 | H46 | 120.1° | 119.9° |
| C42 | C41 | C43 | 118.2° | 120.0° |
| C42 | C41 | C40 | 122.0° | 120.0° |
| C41 | C42 | H43 | 119.6° | 120.0° |
| C46 | C48 | C54 | 118.1° | 120.1° |
| C48 | C46 | O47 | 121.1° | 120.0° |
| C48 | C54 | C53 | 121.0° | 119.8° |
| C48 | C54 | H47 | 119.5° | 120.1° |
| C54 | C53 | H46 | 120.0° | 119.9° |
| C53 | C54 | H47 | 119.5° | 120.1° |
| C43 | C41 | C40 | 119.7° | 120.0° |
| C41 | C43 | H44 | 119.2° | 120.1° |
| C41 | C40 | C38 | 123.3° | 120.1° |
| C41 | C40 | C70 | 118.4° | 120.0° |
| F39 | C38 | C40 | 121.0° | 119.9° |
| F39 | C38 | C37 | 118.8° | 120.0° |
| C38 | C40 | C70 | 118.4° | 119.9° |
| C40 | C38 | C37 | 120.2° | 120.1° |
| C40 | C70 | C35 | 122.3° | 119.7° |
| C40 | C70 | H64 | 118.9° | 120.2° |
| C38 | C37 | C36 | 120.5° | 120.2° |
| C38 | C37 | H42 | 119.8° | 119.8° |
| C70 | C35 | C36 | 117.9° | 119.9° |
| C70 | C35 | C33 | 121.4° | 120.0° |
| C35 | C70 | H64 | 118.9° | 120.1° |
| C24 | C25 | O26 | 110.5° | 109.5° |
| C25 | C24 | O23 | 111.4° | 109.5° |
| C25 | C24 | H19 | 109.0° | 109.4° |
| C25 | C24 | H20 | 109.0° | 109.4° |
| C24 | C25 | H21 | 109.2° | 109.4° |
| C24 | C25 | H22 | 109.2° | 109.4° |
| C25 | O26 | C27 | 114.0° | 114.0° |
| O26 | C25 | H21 | 109.2° | 109.5° |
| O26 | C25 | H22 | 109.2° | 109.5° |
| C28 | C27 | O26 | 112.8° | 109.5° |
| C27 | C28 | O29 | 109.6° | 109.5° |
| C28 | C27 | H33 | 108.7° | 109.5° |
| C28 | C27 | H34 | 108.7° | 109.5° |
| C27 | C28 | H35 | 109.4° | 109.5° |
| C27 | C28 | H36 | 109.5° | 109.4° |
| O26 | C27 | H33 | 108.7° | 109.5° |
| O26 | C27 | H34 | 108.6° | 109.4° |
| C28 | O29 | C30 | 116.2° | 114.0° |
| O29 | C28 | H35 | 109.5° | 109.5° |
| O29 | C28 | H36 | 109.5° | 109.5° |
| C37 | C36 | C35 | 120.7° | 120.2° |
| C37 | C36 | H41 | 119.7° | 119.9° |
| C36 | C37 | H42 | 119.8° | 120.0° |
| C24 | O23 | C22 | 115.4° | 114.0° |
| O23 | C24 | H19 | 109.0° | 109.5° |
| O23 | C24 | H20 | 109.0° | 109.5° |
| C36 | C35 | C33 | 120.7° | 120.1° |
| C35 | C36 | H41 | 119.7° | 119.9° |
| C35 | C33 | N32 | 116.6° | 120.0° |
| C35 | C33 | O34 | 121.0° | 120.0° |
| O23 | C22 | C21 | 108.6° | 109.5° |
| O23 | C22 | H17 | 109.7° | 109.5° |
| O23 | C22 | H18 | 109.7° | 109.5° |
| C22 | C21 | O20 | 109.9° | 109.4° |
| C22 | C21 | H15 | 109.4° | 109.5° |
| C22 | C21 | H16 | 109.3° | 109.4° |
| C21 | C22 | H17 | 109.7° | 109.4° |
| C21 | C22 | H18 | 109.7° | 109.5° |
| O29 | C30 | C31 | 112.4° | 109.5° |
| O29 | C30 | H37 | 108.7° | 109.5° |
| O29 | C30 | H38 | 108.7° | 109.5° |
| C33 | N32 | C31 | 125.5° | 120.0° |
| N32 | C33 | O34 | 122.4° | 120.0° |
| C33 | N32 | H78 | 117.2° | 120.0° |
| N32 | C31 | C30 | 113.6° | 109.5° |
| N32 | C31 | H39 | 108.4° | 109.4° |
| N32 | C31 | H40 | 108.4° | 109.5° |
| C31 | N32 | H78 | 117.3° | 120.0° |
| C31 | C30 | H37 | 108.7° | 109.4° |
| C31 | C30 | H38 | 108.8° | 109.5° |
| C30 | C31 | H39 | 108.4° | 109.5° |
| C30 | C31 | H40 | 108.4° | 109.5° |
| C21 | O20 | C19 | 115.5° | 114.0° |
| O20 | C21 | H15 | 109.4° | 109.5° |
| O20 | C21 | H16 | 109.4° | 109.5° |
| O20 | C19 | C18 | 113.3° | 109.5° |
| O20 | C19 | H13 | 108.5° | 109.5° |
| O20 | C19 | H14 | 108.5° | 109.5° |
| C19 | C18 | O17 | 113.0° | 109.5° |
| C19 | C18 | H11 | 108.6° | 109.5° |
| C19 | C18 | H12 | 108.6° | 109.5° |
| C18 | C19 | H13 | 108.5° | 109.5° |
| C18 | C19 | H14 | 108.5° | 109.5° |
| C18 | O17 | C16 | 113.8° | 114.0° |
| O17 | C18 | H11 | 108.6° | 109.5° |
| O17 | C18 | H12 | 108.6° | 109.4° |
| O17 | C16 | C15 | 112.3° | 109.5° |
| O17 | C16 | H9 | 108.8° | 109.5° |
| O17 | C16 | H10 | 108.8° | 109.4° |
| C16 | C15 | O14 | 110.3° | 109.5° |
| C16 | C15 | H7 | 109.2° | 109.4° |
| C16 | C15 | H8 | 109.3° | 109.5° |
| C15 | C16 | H9 | 108.7° | 109.4° |
| C15 | C16 | H10 | 108.7° | 109.5° |
| C15 | O14 | C13 | 113.9° | 114.0° |
| O14 | C15 | H7 | 109.3° | 109.5° |
| O14 | C15 | H8 | 109.3° | 109.5° |
| O14 | C13 | C12 | 111.5° | 109.5° |
| O14 | C13 | H5 | 108.9° | 109.5° |
| O14 | C13 | H6 | 109.0° | 109.4° |
| C13 | C12 | O11 | 112.3° | 109.5° |
| C13 | C12 | H3 | 108.8° | 109.5° |
| C13 | C12 | H4 | 108.8° | 109.5° |
| C12 | C13 | H5 | 109.0° | 109.5° |
| C12 | C13 | H6 | 109.0° | 109.5° |
| O11 | C10 | C09 | 111.4° | 109.5° |
| C10 | O11 | C12 | 115.3° | 114.0° |
| O11 | C10 | H1 | 109.0° | 109.5° |
| O11 | C10 | H2 | 109.0° | 109.5° |
| C10 | C09 | O08 | 109.5° | 109.4° |
| C09 | C10 | H1 | 109.0° | 109.5° |
| C09 | C10 | H2 | 109.0° | 109.5° |
| C10 | C09 | H31 | 109.5° | 109.5° |
| C10 | C09 | H32 | 109.5° | 109.4° |
| O11 | C12 | H3 | 108.8° | 109.5° |
| O11 | C12 | H4 | 108.7° | 109.5° |
| C09 | O08 | C07 | 116.7° | 114.0° |
| O08 | C09 | H31 | 109.5° | 109.5° |
| O08 | C09 | H32 | 109.5° | 109.5° |
| O08 | C07 | C06 | 112.0° | 109.5° |
| O08 | C07 | H29 | 108.8° | 109.5° |
| O08 | C07 | H30 | 108.8° | 109.5° |
| C07 | C06 | O05 | 108.3° | 109.4° |
| C07 | C06 | H27 | 109.7° | 109.4° |
| C07 | C06 | H28 | 109.8° | 109.4° |
| C06 | C07 | H29 | 108.9° | 109.5° |
| C06 | C07 | H30 | 108.8° | 109.5° |
| C04 | O05 | C06 | 115.6° | 114.0° |
| O05 | C04 | C03 | 111.3° | 109.4° |
| O05 | C04 | H25 | 109.0° | 109.4° |
| O05 | C04 | H26 | 109.0° | 109.5° |
| O05 | C06 | H27 | 109.8° | 109.5° |
| O05 | C06 | H28 | 109.8° | 109.5° |
| C04 | C03 | N02 | 111.4° | 109.5° |
| C04 | C03 | H23 | 109.0° | 109.5° |
| C04 | C03 | H24 | 109.0° | 109.5° |
| C03 | C04 | H25 | 109.0° | 109.5° |
| C03 | C04 | H26 | 109.1° | 109.5° |
| C03 | N02 | C01 | 128.2° | 120.0° |
| N02 | C03 | H23 | 109.0° | 109.5° |
| N02 | C03 | H24 | 109.0° | 109.5° |
| C03 | N02 | H77 | 115.9° | 120.0° |
| N02 | C01 | O71 | 118.1° | 120.0° |
| N02 | C01 | C72 | 118.6° | 120.0° |
| C01 | N02 | H77 | 115.9° | 120.0° |
| O71 | C01 | C72 | 123.2° | 120.0° |
| C01 | C72 | C73 | 119.6° | 120.0° |
| C01 | C72 | H65 | 120.2° | 120.0° |
| C72 | C73 | C74 | 133.6° | 120.0° |
| C73 | C72 | H65 | 120.2° | 120.0° |
| C72 | C73 | H66 | 113.2° | 120.0° |
| C73 | C74 | N75 | 125.6° | 125.9° |
| C73 | C74 | C94 | 127.2° | 126.0° |
| C74 | C73 | H66 | 113.2° | 120.0° |
| N75 | C74 | C94 | 107.1° | 108.1° |
| C74 | N75 | C76 | 109.2° | 110.5° |
| C74 | N75 | H81 | 125.4° | 124.8° |
| C74 | C94 | C95 | 122.0° | 127.2° |
| C74 | C94 | C77 | 109.5° | 105.7° |
| N75 | C76 | C77 | 109.1° | 109.3° |
| N75 | C76 | H67 | 125.5° | 125.3° |
| C76 | N75 | H81 | 125.4° | 124.8° |
| C96 | C97 | C98 | 119.9° | 120.2° |
| C97 | C96 | C95 | 119.9° | 119.9° |
| C97 | C96 | H74 | 120.0° | 120.1° |
| C96 | C97 | H75 | 120.1° | 119.9° |
| C97 | C98 | CL99 | 119.7° | 119.9° |
| C97 | C98 | CA0 | 120.2° | 120.3° |
| C98 | C97 | H75 | 120.0° | 119.9° |
| C96 | C95 | C94 | 118.8° | 120.1° |
| C96 | C95 | CA1 | 120.1° | 119.7° |
| C95 | C96 | H74 | 120.0° | 120.0° |
| CL99 | C98 | CA0 | 120.1° | 119.9° |
| C98 | CA0 | CA1 | 120.0° | 120.1° |
| C98 | CA0 | H76 | 120.0° | 119.9° |
| C94 | C95 | CA1 | 121.0° | 120.2° |
| C95 | C94 | C77 | 128.5° | 127.1° |
| C95 | CA1 | CA0 | 119.7° | 119.8° |
| C95 | CA1 | FA2 | 120.5° | 120.1° |
| C94 | C77 | C76 | 105.0° | 106.4° |
| C94 | C77 | C78 | 125.6° | 126.8° |
| CA0 | CA1 | FA2 | 119.7° | 120.1° |
| CA1 | CA0 | H76 | 120.0° | 120.0° |
| C76 | C77 | C78 | 129.2° | 126.8° |
| C77 | C76 | H67 | 125.5° | 125.4° |
| C77 | C78 | O79 | 121.7° | 120.0° |
| C77 | C78 | N80 | 116.1° | 120.0° |
| O79 | C78 | N80 | 122.1° | 120.0° |
| C78 | N80 | C81 | 124.8° | 120.0° |
| C78 | N80 | H82 | 117.6° | 120.0° |
| N80 | C81 | C82 | 112.0° | 109.5° |
| N80 | C81 | C90 | 108.5° | 109.5° |
| N80 | C81 | H68 | 108.6° | 109.5° |
| C81 | N80 | H82 | 117.6° | 120.0° |
| CL85 | C84 | C83 | 119.3° | 120.1° |
| CL85 | C84 | C86 | 120.9° | 120.0° |
| C84 | C83 | C82 | 121.0° | 120.0° |
| C83 | C84 | C86 | 119.8° | 119.9° |
| C84 | C83 | H69 | 119.5° | 120.0° |
| C83 | C82 | C81 | 121.4° | 120.0° |
| C83 | C82 | C89 | 118.6° | 120.1° |
| C82 | C83 | H69 | 119.5° | 120.0° |
| C82 | C81 | C90 | 112.0° | 109.5° |
| C81 | C82 | C89 | 120.0° | 119.9° |
| C82 | C81 | H68 | 107.8° | 109.5° |
| C81 | C90 | C91 | 115.5° | 109.5° |
| C90 | C81 | H68 | 107.7° | 109.4° |
| C81 | C90 | H72 | 107.9° | 109.4° |
| C81 | C90 | H73 | 107.9° | 109.5° |
| C84 | C86 | F87 | 120.6° | 120.0° |
| C84 | C86 | C88 | 119.8° | 120.0° |
| C82 | C89 | C88 | 120.6° | 120.0° |
| C82 | C89 | H71 | 119.7° | 120.0° |
| C90 | C91 | O92 | 121.9° | 120.0° |
| C90 | C91 | N93 | 117.4° | 120.0° |
| C91 | C90 | H72 | 108.0° | 109.5° |
| C91 | C90 | H73 | 108.0° | 109.5° |
| F87 | C86 | C88 | 119.6° | 120.0° |
| C86 | C88 | C89 | 120.2° | 120.0° |
| C86 | C88 | H70 | 119.9° | 120.0° |
| C89 | C88 | H70 | 119.9° | 120.0° |
| C88 | C89 | H71 | 119.7° | 120.0° |
| O92 | C91 | N93 | 120.6° | 120.0° |
| C91 | N93 | H83 | 120.0° | 120.0° |
| C91 | N93 | H84 | 120.0° | 119.9° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H3 | C12 | H4 | 109.5° | 109.5° |
| H5 | C13 | H6 | 109.5° | 109.5° |
| H7 | C15 | H8 | 109.5° | 109.5° |
| H9 | C16 | H10 | 109.5° | 109.5° |
| H11 | C18 | H12 | 109.5° | 109.5° |
| H13 | C19 | H14 | 109.5° | 109.5° |
| H15 | C21 | H16 | 109.5° | 109.5° |
| H17 | C22 | H18 | 109.5° | 109.4° |
| H19 | C24 | H20 | 109.5° | 109.5° |
| H21 | C25 | H22 | 109.5° | 109.5° |
| H23 | C03 | H24 | 109.5° | 109.5° |
| H25 | C04 | H26 | 109.5° | 109.5° |
| H27 | C06 | H28 | 109.5° | 109.5° |
| H29 | C07 | H30 | 109.5° | 109.5° |
| H31 | C09 | H32 | 109.5° | 109.5° |
| H33 | C27 | H34 | 109.4° | 109.5° |
| H35 | C28 | H36 | 109.4° | 109.5° |
| H37 | C30 | H38 | 109.4° | 109.4° |
| H39 | C31 | H40 | 109.5° | 109.5° |
| H48 | C61 | H49 | 109.4° | 109.5° |
| H51 | C63 | H52 | 109.5° | 109.5° |
| H51 | C63 | H53 | 109.4° | 109.5° |
| H52 | C63 | H53 | 109.5° | 109.5° |
| H54 | C65 | H55 | 109.5° | 109.6° |
| H54 | C65 | H56 | 109.5° | 109.4° |
| H55 | C65 | H56 | 109.5° | 109.5° |
| H58 | C67 | H59 | 109.5° | 109.5° |
| H58 | C67 | H60 | 109.5° | 109.5° |
| H59 | C67 | H60 | 109.5° | 109.5° |
| H61 | C68 | H62 | 109.5° | 109.6° |
| H72 | C90 | H73 | 109.5° | 109.5° |
| H83 | N93 | H84 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C65 | N64 | C62 | C63 | 70.2° | 56.8° |
| C65 | N64 | C62 | C66 | 124.7° | 123.8° |
| C65 | N64 | C62 | C61 | 168.7° | 176.8° |
| C65 | N64 | C66 | C67 | 71.7° | 56.8° |
| C65 | N64 | C66 | C68 | 168.0° | 176.8° |
| C65 | N64 | C62 | H50 | 48.0° | 63.2° |
| N64 | C65 | H54 | H55 | 120.0° | 120.1° |
| N64 | C65 | H54 | H56 | 120.0° | 119.9° |
| N64 | C65 | H55 | H56 | 120.0° | 119.9° |
| C65 | N64 | C66 | H57 | 47.1° | 63.3° |
| C63 | C62 | N64 | C61 | 121.1° | 120.0° |
| C63 | C62 | N64 | H50 | 118.3° | 120.1° |
| C63 | C62 | N64 | C66 | 165.1° | 179.3° |
| C63 | C62 | C61 | H50 | 119.3° | 120.1° |
| C63 | C62 | C61 | N60 | 166.8° | 178.4° |
| C63 | C62 | C61 | H48 | 72.0° | 61.7° |
| C63 | C62 | C61 | H49 | 45.6° | 58.4° |
| C62 | C63 | H51 | H52 | 120.0° | 120.0° |
| C62 | C63 | H51 | H53 | 120.0° | 120.0° |
| C62 | C63 | H52 | H53 | 120.0° | 120.0° |
| N64 | C62 | C61 | H50 | 120.6° | 119.9° |
| C62 | N64 | C66 | C67 | 163.7° | 179.3° |
| C62 | N64 | C66 | C68 | 43.4° | 59.3° |
| N64 | C62 | C61 | N60 | 46.7° | 58.4° |
| N64 | C62 | C61 | H48 | 167.9° | 178.3° |
| N64 | C62 | C61 | H49 | 74.5° | 61.6° |
| N64 | C62 | C63 | H51 | 180.0° | 179.9° |
| N64 | C62 | C63 | H52 | 60.0° | 60.1° |
| N64 | C62 | C63 | H53 | 60.0° | 59.9° |
| C62 | N64 | C65 | H54 | 180.0° | 60.0° |
| C62 | N64 | C65 | H55 | 60.0° | 179.9° |
| C62 | N64 | C65 | H56 | 60.0° | 60.0° |
| C62 | N64 | C66 | H57 | 77.6° | 60.6° |
| C66 | N64 | C62 | C61 | 43.9° | 59.3° |
| N64 | C66 | C67 | C68 | 121.9° | 119.9° |
| N64 | C66 | C67 | H57 | 118.7° | 120.1° |
| N64 | C66 | C68 | H57 | 121.0° | 120.0° |
| N64 | C66 | C68 | N60 | 46.0° | 58.4° |
| C66 | N64 | C62 | H50 | 76.7° | 60.6° |
| C66 | N64 | C65 | H54 | 53.4° | 63.9° |
| C66 | N64 | C65 | H55 | 173.4° | 56.3° |
| C66 | N64 | C65 | H56 | 66.6° | 176.2° |
| N64 | C66 | C67 | H58 | 180.0° | 59.9° |
| N64 | C66 | C67 | H59 | 60.0° | 60.1° |
| N64 | C66 | C67 | H60 | 60.0° | 179.9° |
| N64 | C66 | C68 | H61 | 75.2° | 61.5° |
| N64 | C66 | C68 | H62 | 167.2° | 178.3° |
| C62 | C61 | N60 | H48 | 121.2° | 119.9° |
| C62 | C61 | N60 | H49 | 121.2° | 120.1° |
| C62 | C61 | N60 | C68 | 47.2° | 59.3° |
| C62 | C61 | N60 | C59 | 164.1° | 176.8° |
| C62 | C61 | H48 | H49 | 116.4° | 120.1° |
| C61 | C62 | C63 | H51 | 57.4° | 60.0° |
| C61 | C62 | C63 | H52 | 177.4° | 180.0° |
| C61 | C62 | C63 | H53 | 62.6° | 60.0° |
| C67 | C66 | C68 | H57 | 119.5° | 120.0° |
| C67 | C66 | C68 | N60 | 165.5° | 178.4° |
| C66 | C67 | H58 | H59 | 120.0° | 119.9° |
| C66 | C67 | H58 | H60 | 120.0° | 120.0° |
| C66 | C67 | H59 | H60 | 120.0° | 120.1° |
| C67 | C66 | C68 | H61 | 44.3° | 58.5° |
| C67 | C66 | C68 | H62 | 73.2° | 61.6° |
| C66 | C68 | N60 | C61 | 47.1° | 59.3° |
| C66 | C68 | N60 | H61 | 121.2° | 119.9° |
| C66 | C68 | N60 | H62 | 121.2° | 120.0° |
| C66 | C68 | N60 | C59 | 162.8° | 176.9° |
| C68 | C66 | C67 | H58 | 58.1° | 60.1° |
| C68 | C66 | C67 | H59 | 61.9° | 180.0° |
| C68 | C66 | C67 | H60 | 178.1° | 59.9° |
| C66 | C68 | H61 | H62 | 116.1° | 120.1° |
| C61 | N60 | C68 | C59 | 150.1° | 123.8° |
| C61 | N60 | C59 | C69 | 31.3° | 60.0° |
| C61 | N60 | C59 | C44 | 153.6° | 119.8° |
| N60 | C61 | H48 | H49 | 116.4° | 120.0° |
| N60 | C61 | C62 | H50 | 73.9° | 61.5° |
| C61 | N60 | C68 | H61 | 74.1° | 60.6° |
| C61 | N60 | C68 | H62 | 168.3° | 179.3° |
| C68 | N60 | C59 | C69 | 115.8° | 63.8° |
| C68 | N60 | C59 | C44 | 59.4° | 116.5° |
| C68 | N60 | C61 | H48 | 168.4° | 179.3° |
| C68 | N60 | C61 | H49 | 74.0° | 60.7° |
| N60 | C68 | C66 | H57 | 74.9° | 61.6° |
| N60 | C68 | H61 | H62 | 116.0° | 120.0° |
| N60 | C59 | C69 | C44 | 175.3° | 179.8° |
| N60 | C59 | C69 | C42 | 170.8° | 180.0° |
| N60 | C59 | C44 | N45 | 11.3° | 0.0° |
| N60 | C59 | C44 | C43 | 171.9° | 180.0° |
| C59 | N60 | C61 | H48 | 42.9° | 56.9° |
| C59 | N60 | C61 | H49 | 74.8° | 63.2° |
| C59 | N60 | C68 | H61 | 76.0° | 63.2° |
| C59 | N60 | C68 | H62 | 41.5° | 56.8° |
| N60 | C59 | C69 | H63 | 9.2° | 0.2° |
| C59 | C69 | C42 | H63 | 180.0° | 179.8° |
| C69 | C59 | C44 | N45 | 173.5° | 179.8° |
| C69 | C59 | C44 | C43 | 3.3° | 0.3° |
| C59 | C69 | C42 | C41 | 0.8° | 0.1° |
| C59 | C69 | C42 | H43 | 179.2° | 180.0° |
| C44 | C59 | C69 | C42 | 4.5° | 0.2° |
| C59 | C44 | N45 | C43 | 176.9° | 180.0° |
| C59 | C44 | N45 | C46 | 129.4° | 152.2° |
| C59 | C44 | C43 | C41 | 1.6° | 0.0° |
| C59 | C44 | C43 | H44 | 178.4° | 179.9° |
| C44 | C59 | C69 | H63 | 175.5° | 180.0° |
| C59 | C44 | N45 | H79 | 50.7° | 27.7° |
| F56 | C55 | F58 | C49 | 121.5° | 120.0° |
| F56 | C55 | F58 | F57 | 117.3° | 119.9° |
| F56 | C55 | C49 | F57 | 121.6° | 120.0° |
| F56 | C55 | C49 | C50 | 131.7° | 120.0° |
| F56 | C55 | C49 | C48 | 45.9° | 60.0° |
| C69 | C42 | C41 | H43 | 180.0° | 179.9° |
| C69 | C42 | C41 | C43 | 4.0° | 0.3° |
| C69 | C42 | C41 | C40 | 172.5° | 180.0° |
| F58 | C55 | C49 | F57 | 118.9° | 120.0° |
| F58 | C55 | C49 | C50 | 12.2° | 120.0° |
| F58 | C55 | C49 | C48 | 165.4° | 60.0° |
| C44 | N45 | C46 | H79 | 180.0° | 179.9° |
| C44 | N45 | C46 | C48 | 167.7° | 175.5° |
| C44 | N45 | C46 | O47 | 10.1° | 4.5° |
| N45 | C44 | C43 | C41 | 178.5° | 180.0° |
| N45 | C44 | C43 | H44 | 1.5° | 0.1° |
| C46 | N45 | C44 | C43 | 53.8° | 27.9° |
| N45 | C46 | C48 | C49 | 135.0° | 179.7° |
| N45 | C46 | C48 | O47 | 177.9° | 180.0° |
| N45 | C46 | C48 | C54 | 47.6° | 0.0° |
| C55 | C49 | C50 | C48 | 177.7° | 180.0° |
| C55 | C49 | C50 | C51 | 176.1° | 180.0° |
| C55 | C49 | C48 | C46 | 7.2° | 0.0° |
| C55 | C49 | C48 | C54 | 175.4° | 179.7° |
| C55 | C49 | C50 | H45 | 3.9° | 0.0° |
| F57 | C55 | C49 | C50 | 106.7° | 0.0° |
| F57 | C55 | C49 | C48 | 75.7° | 180.0° |
| C44 | C43 | C41 | C42 | 5.2° | 0.2° |
| C44 | C43 | C41 | H44 | 180.0° | 179.9° |
| C44 | C43 | C41 | C40 | 171.4° | 179.9° |
| C43 | C44 | N45 | H79 | 126.2° | 152.2° |
| C49 | C50 | C51 | H45 | 180.0° | 180.0° |
| C49 | C50 | C51 | F52 | 179.6° | 180.0° |
| C49 | C50 | C51 | C53 | 0.1° | 0.0° |
| C50 | C49 | C48 | C46 | 175.2° | 180.0° |
| C50 | C49 | C48 | C54 | 2.2° | 0.3° |
| C51 | C50 | C49 | C48 | 1.6° | 0.0° |
| C50 | C51 | F52 | C53 | 179.6° | 180.0° |
| C50 | C51 | C53 | C54 | 1.0° | 0.3° |
| C50 | C51 | C53 | H46 | 179.0° | 180.0° |
| C49 | C48 | C46 | C54 | 177.4° | 179.7° |
| C49 | C48 | C54 | C53 | 1.2° | 0.5° |
| C49 | C48 | C46 | O47 | 47.0° | 0.3° |
| C48 | C49 | C50 | H45 | 178.4° | 180.0° |
| C49 | C48 | C54 | H47 | 178.8° | 179.8° |
| F52 | C51 | C53 | C54 | 179.4° | 179.7° |
| F52 | C51 | C50 | H45 | 0.4° | 0.0° |
| F52 | C51 | C53 | H46 | 0.6° | 0.1° |
| C51 | C53 | C54 | C48 | 0.4° | 0.6° |
| C51 | C53 | C54 | H46 | 180.0° | 179.8° |
| C53 | C51 | C50 | H45 | 179.9° | 180.0° |
| C51 | C53 | C54 | H47 | 179.6° | 179.8° |
| C42 | C41 | C43 | C40 | 176.6° | 179.7° |
| C42 | C41 | C40 | C38 | 43.1° | 130.0° |
| C42 | C41 | C40 | C70 | 135.8° | 49.7° |
| C42 | C41 | C43 | H44 | 174.8° | 179.7° |
| C41 | C42 | C69 | H63 | 179.2° | 179.8° |
| C46 | C48 | C54 | C53 | 176.3° | 179.7° |
| C46 | C48 | C54 | H47 | 3.7° | 0.1° |
| C48 | C46 | N45 | H79 | 12.2° | 4.4° |
| C48 | C54 | C53 | H47 | 180.0° | 179.7° |
| C54 | C48 | C46 | O47 | 130.4° | 180.0° |
| C48 | C54 | C53 | H46 | 179.6° | 179.7° |
| O47 | C46 | N45 | H79 | 169.9° | 175.6° |
| C43 | C41 | C40 | C38 | 140.5° | 50.3° |
| C43 | C41 | C40 | C70 | 40.7° | 130.0° |
| C43 | C41 | C42 | H43 | 176.0° | 179.8° |
| C41 | C40 | C38 | F39 | 0.2° | 0.0° |
| C41 | C40 | C38 | C70 | 178.8° | 179.7° |
| C41 | C40 | C38 | C37 | 179.6° | 180.0° |
| C41 | C40 | C70 | C35 | 179.4° | 179.7° |
| C40 | C41 | C42 | H43 | 7.5° | 0.1° |
| C40 | C41 | C43 | H44 | 8.6° | 0.0° |
| C41 | C40 | C70 | H64 | 0.6° | 0.3° |
| F39 | C38 | C40 | C37 | 179.8° | 180.0° |
| F39 | C38 | C40 | C70 | 178.6° | 179.7° |
| F39 | C38 | C37 | C36 | 179.1° | 180.0° |
| F39 | C38 | C37 | H42 | 1.0° | 0.0° |
| C38 | C40 | C70 | C35 | 0.5° | 0.6° |
| C40 | C38 | C37 | C36 | 1.1° | 0.0° |
| C40 | C38 | C37 | H42 | 178.9° | 180.0° |
| C38 | C40 | C70 | H64 | 179.5° | 180.0° |
| C70 | C40 | C38 | C37 | 1.6° | 0.3° |
| C40 | C70 | C35 | H64 | 180.0° | 179.4° |
| C40 | C70 | C35 | C36 | 1.1° | 0.6° |
| C40 | C70 | C35 | C33 | 179.0° | 179.7° |
| C38 | C37 | C36 | H42 | 180.0° | 179.9° |
| C38 | C37 | C36 | C35 | 0.5° | 0.0° |
| C38 | C37 | C36 | H41 | 179.5° | 180.0° |
| C70 | C35 | C36 | C37 | 1.6° | 0.3° |
| C70 | C35 | C36 | C33 | 179.9° | 179.7° |
| C70 | C35 | C33 | N32 | 11.2° | 179.7° |
| C70 | C35 | C33 | O34 | 169.0° | 0.3° |
| C70 | C35 | C36 | H41 | 178.4° | 179.7° |
| C24 | C25 | O26 | H21 | 120.1° | 120.0° |
| C24 | C25 | O26 | H22 | 120.2° | 120.0° |
| C24 | C25 | O26 | C27 | 170.9° | 180.0° |
| C25 | C24 | O23 | H19 | 120.3° | 120.0° |
| C25 | C24 | O23 | H20 | 120.3° | 120.0° |
| C25 | C24 | O23 | C22 | 79.5° | 180.0° |
| C25 | C24 | H19 | H20 | 119.1° | 119.9° |
| C24 | C25 | H21 | H22 | 119.5° | 120.0° |
| C25 | O26 | C27 | C28 | 97.9° | 180.0° |
| O26 | C25 | C24 | O23 | 57.3° | 65.0° |
| O26 | C25 | C24 | H19 | 63.0° | 175.0° |
| O26 | C25 | C24 | H20 | 177.6° | 55.0° |
| O26 | C25 | H21 | H22 | 119.5° | 120.1° |
| C25 | O26 | C27 | H33 | 141.6° | 60.0° |
| C25 | O26 | C27 | H34 | 22.7° | 60.0° |
| C28 | C27 | O26 | H33 | 120.5° | 120.0° |
| C28 | C27 | O26 | H34 | 120.5° | 120.0° |
| C27 | C28 | O29 | H35 | 120.0° | 120.0° |
| C27 | C28 | O29 | H36 | 120.0° | 120.0° |
| C27 | C28 | O29 | C30 | 162.2° | 180.0° |
| C28 | C27 | H33 | H34 | 118.5° | 120.0° |
| C27 | C28 | H35 | H36 | 119.9° | 120.0° |
| O26 | C27 | C28 | O29 | 73.0° | 65.0° |
| C27 | O26 | C25 | H21 | 50.7° | 60.0° |
| C27 | O26 | C25 | H22 | 69.0° | 60.0° |
| O26 | C27 | H33 | H34 | 118.5° | 120.0° |
| O26 | C27 | C28 | H35 | 47.1° | 175.0° |
| O26 | C27 | C28 | H36 | 167.0° | 55.0° |
| C28 | O29 | C30 | C31 | 106.7° | 180.0° |
| O29 | C28 | C27 | H33 | 47.5° | 175.0° |
| O29 | C28 | C27 | H34 | 166.5° | 55.0° |
| O29 | C28 | H35 | H36 | 120.0° | 120.1° |
| C28 | O29 | C30 | H37 | 13.8° | 60.0° |
| C28 | O29 | C30 | H38 | 132.8° | 60.0° |
| C37 | C36 | C35 | H41 | 180.0° | 180.0° |
| C37 | C36 | C35 | C33 | 178.5° | 180.0° |
| C24 | O23 | C22 | C21 | 163.5° | 180.0° |
| C24 | O23 | C22 | H17 | 76.7° | 60.0° |
| C24 | O23 | C22 | H18 | 43.6° | 60.0° |
| O23 | C24 | H19 | H20 | 119.1° | 120.1° |
| O23 | C24 | C25 | H21 | 62.8° | 175.0° |
| O23 | C24 | C25 | H22 | 177.5° | 55.0° |
| C36 | C35 | C33 | N32 | 168.9° | 0.0° |
| C36 | C35 | C33 | O34 | 10.9° | 180.0° |
| C35 | C36 | C37 | H42 | 179.5° | 180.0° |
| C36 | C35 | C70 | H64 | 178.9° | 180.0° |
| C35 | C33 | N32 | O34 | 179.8° | 180.0° |
| C35 | C33 | N32 | C31 | 179.4° | 180.0° |
| C33 | C35 | C36 | H41 | 1.5° | 0.0° |
| C33 | C35 | C70 | H64 | 1.0° | 0.3° |
| C35 | C33 | N32 | H78 | 0.5° | 0.0° |
| O23 | C22 | C21 | H17 | 119.9° | 120.0° |
| O23 | C22 | C21 | H18 | 119.8° | 120.0° |
| O23 | C22 | C21 | O20 | 58.2° | 65.0° |
| O23 | C22 | C21 | H15 | 178.2° | 175.0° |
| O23 | C22 | C21 | H16 | 61.9° | 55.0° |
| O23 | C22 | H17 | H18 | 120.4° | 120.0° |
| C22 | O23 | C24 | H19 | 160.2° | 60.0° |
| C22 | O23 | C24 | H20 | 40.7° | 60.0° |
| C22 | C21 | O20 | H15 | 120.1° | 120.0° |
| C22 | C21 | O20 | H16 | 120.0° | 119.9° |
| C22 | C21 | O20 | C19 | 179.8° | 180.0° |
| C22 | C21 | H15 | H16 | 119.8° | 120.0° |
| C21 | C22 | H17 | H18 | 120.4° | 119.9° |
| O29 | C30 | C31 | N32 | 72.3° | 65.0° |
| O29 | C30 | C31 | H37 | 120.4° | 120.1° |
| O29 | C30 | C31 | H38 | 120.4° | 120.0° |
| C30 | O29 | C28 | H35 | 77.8° | 60.0° |
| C30 | O29 | C28 | H36 | 42.1° | 60.0° |
| O29 | C30 | H37 | H38 | 118.6° | 120.0° |
| O29 | C30 | C31 | H39 | 48.4° | 175.0° |
| O29 | C30 | C31 | H40 | 167.1° | 55.0° |
| C33 | N32 | C31 | H78 | 180.0° | 179.9° |
| C33 | N32 | C31 | C30 | 163.6° | 180.0° |
| C33 | N32 | C31 | H39 | 43.0° | 60.0° |
| C33 | N32 | C31 | H40 | 75.7° | 59.9° |
| N32 | C31 | C30 | H39 | 120.6° | 120.0° |
| N32 | C31 | C30 | H40 | 120.6° | 120.0° |
| C31 | N32 | C33 | O34 | 0.8° | 0.1° |
| N32 | C31 | C30 | H37 | 48.2° | 174.9° |
| N32 | C31 | C30 | H38 | 167.3° | 55.0° |
| N32 | C31 | H39 | H40 | 118.1° | 120.0° |
| C31 | C30 | H37 | H38 | 118.7° | 119.9° |
| C30 | C31 | H39 | H40 | 118.1° | 120.0° |
| C30 | C31 | N32 | H78 | 16.3° | 0.0° |
| C21 | O20 | C19 | C18 | 104.7° | 180.0° |
| C21 | O20 | C19 | H13 | 134.8° | 60.0° |
| C21 | O20 | C19 | H14 | 15.9° | 60.0° |
| O20 | C21 | H15 | H16 | 119.8° | 120.0° |
| O20 | C21 | C22 | H17 | 61.7° | 175.0° |
| O20 | C21 | C22 | H18 | 178.0° | 55.1° |
| O34 | C33 | N32 | H78 | 179.2° | 180.0° |
| O20 | C19 | C18 | H13 | 120.6° | 120.0° |
| O20 | C19 | C18 | H14 | 120.6° | 120.0° |
| O20 | C19 | C18 | O17 | 75.2° | 65.0° |
| O20 | C19 | C18 | H11 | 45.3° | 175.0° |
| O20 | C19 | C18 | H12 | 164.3° | 55.0° |
| O20 | C19 | H13 | H14 | 118.3° | 120.0° |
| C19 | O20 | C21 | H15 | 59.8° | 60.0° |
| C19 | O20 | C21 | H16 | 60.1° | 60.1° |
| C19 | C18 | O17 | H11 | 120.5° | 120.1° |
| C19 | C18 | O17 | H12 | 120.5° | 120.0° |
| C19 | C18 | O17 | C16 | 170.6° | 180.0° |
| C19 | C18 | H11 | H12 | 118.4° | 120.0° |
| C18 | C19 | H13 | H14 | 118.2° | 120.0° |
| C18 | O17 | C16 | C15 | 88.8° | 180.0° |
| C18 | O17 | C16 | H9 | 31.6° | 60.1° |
| C18 | O17 | C16 | H10 | 150.8° | 60.0° |
| O17 | C18 | H11 | H12 | 118.4° | 119.9° |
| O17 | C18 | C19 | H13 | 164.2° | 175.0° |
| O17 | C18 | C19 | H14 | 45.4° | 55.0° |
| O17 | C16 | C15 | H9 | 120.4° | 120.0° |
| O17 | C16 | C15 | H10 | 120.4° | 120.0° |
| O17 | C16 | C15 | O14 | 145.5° | 65.0° |
| O17 | C16 | C15 | H7 | 94.4° | 175.0° |
| O17 | C16 | C15 | H8 | 25.4° | 55.0° |
| O17 | C16 | H9 | H10 | 118.7° | 120.0° |
| C16 | O17 | C18 | H11 | 68.8° | 60.0° |
| C16 | O17 | C18 | H12 | 50.1° | 60.0° |
| C16 | C15 | O14 | H7 | 120.1° | 120.0° |
| C16 | C15 | O14 | H8 | 120.1° | 120.0° |
| C16 | C15 | O14 | C13 | 149.4° | 180.0° |
| C16 | C15 | H7 | H8 | 119.6° | 120.1° |
| C15 | C16 | H9 | H10 | 118.7° | 120.0° |
| C15 | O14 | C13 | C12 | 162.1° | 180.0° |
| C15 | O14 | C13 | H5 | 77.5° | 60.0° |
| C15 | O14 | C13 | H6 | 41.8° | 60.0° |
| O14 | C15 | H7 | H8 | 119.6° | 120.0° |
| O14 | C15 | C16 | H9 | 25.0° | 175.0° |
| O14 | C15 | C16 | H10 | 94.1° | 55.0° |
| O14 | C13 | C12 | H5 | 120.3° | 120.0° |
| O14 | C13 | C12 | H6 | 120.3° | 120.0° |
| O14 | C13 | C12 | O11 | 72.7° | 65.0° |
| O14 | C13 | C12 | H3 | 47.7° | 175.0° |
| O14 | C13 | C12 | H4 | 166.8° | 55.0° |
| O14 | C13 | H5 | H6 | 119.0° | 120.0° |
| C13 | O14 | C15 | H7 | 29.3° | 60.0° |
| C13 | O14 | C15 | H8 | 90.5° | 60.0° |
| C13 | C12 | O11 | C10 | 81.5° | 180.0° |
| C13 | C12 | O11 | H3 | 120.4° | 120.0° |
| C13 | C12 | O11 | H4 | 120.4° | 120.0° |
| C13 | C12 | H3 | H4 | 118.7° | 120.0° |
| C12 | C13 | H5 | H6 | 119.1° | 120.0° |
| O11 | C10 | C09 | H1 | 120.3° | 120.0° |
| O11 | C10 | C09 | H2 | 120.3° | 120.1° |
| O11 | C10 | C09 | O08 | 70.6° | 65.0° |
| O11 | C10 | H1 | H2 | 119.1° | 120.0° |
| C10 | O11 | C12 | H3 | 158.1° | 60.0° |
| C10 | O11 | C12 | H4 | 39.0° | 60.0° |
| O11 | C10 | C09 | H31 | 49.4° | 175.0° |
| O11 | C10 | C09 | H32 | 169.4° | 55.0° |
| C09 | C10 | O11 | C12 | 97.7° | 180.0° |
| C10 | C09 | O08 | H31 | 120.0° | 120.0° |
| C10 | C09 | O08 | H32 | 120.0° | 120.0° |
| C10 | C09 | O08 | C07 | 151.2° | 180.0° |
| C09 | C10 | H1 | H2 | 119.1° | 120.0° |
| C10 | C09 | H31 | H32 | 120.0° | 120.0° |
| C12 | O11 | C10 | H1 | 22.6° | 60.0° |
| C12 | O11 | C10 | H2 | 142.1° | 60.0° |
| O11 | C12 | H3 | H4 | 118.7° | 120.0° |
| O11 | C12 | C13 | H5 | 167.0° | 175.0° |
| O11 | C12 | C13 | H6 | 47.6° | 55.0° |
| C09 | O08 | C07 | C06 | 73.1° | 180.0° |
| O08 | C09 | C10 | H1 | 169.1° | 175.0° |
| O08 | C09 | C10 | H2 | 49.7° | 55.1° |
| C09 | O08 | C07 | H29 | 47.3° | 60.0° |
| C09 | O08 | C07 | H30 | 166.5° | 60.0° |
| O08 | C09 | H31 | H32 | 120.0° | 120.1° |
| O08 | C07 | C06 | H29 | 120.4° | 120.0° |
| O08 | C07 | C06 | H30 | 120.4° | 120.0° |
| O08 | C07 | C06 | O05 | 47.5° | 65.0° |
| O08 | C07 | C06 | H27 | 72.3° | 175.0° |
| O08 | C07 | C06 | H28 | 167.3° | 55.0° |
| O08 | C07 | H29 | H30 | 118.8° | 120.0° |
| C07 | O08 | C09 | H31 | 31.2° | 60.0° |
| C07 | O08 | C09 | H32 | 88.8° | 60.0° |
| C07 | C06 | O05 | C04 | 156.9° | 180.0° |
| C07 | C06 | O05 | H27 | 119.8° | 120.0° |
| C07 | C06 | O05 | H28 | 119.8° | 120.0° |
| C07 | C06 | H27 | H28 | 120.5° | 120.0° |
| C06 | C07 | H29 | H30 | 118.9° | 120.0° |
| O05 | C04 | C03 | H25 | 120.3° | 119.9° |
| O05 | C04 | C03 | H26 | 120.3° | 120.0° |
| O05 | C04 | C03 | N02 | 58.7° | 65.0° |
| O05 | C04 | C03 | H23 | 179.0° | 175.0° |
| O05 | C04 | C03 | H24 | 61.6° | 55.0° |
| O05 | C04 | H25 | H26 | 119.2° | 120.0° |
| C04 | O05 | C06 | H27 | 37.1° | 60.0° |
| C04 | O05 | C06 | H28 | 83.3° | 60.0° |
| C06 | O05 | C04 | C03 | 94.9° | 180.0° |
| C06 | O05 | C04 | H25 | 144.8° | 60.0° |
| C06 | O05 | C04 | H26 | 25.4° | 60.0° |
| O05 | C06 | H27 | H28 | 120.6° | 120.0° |
| O05 | C06 | C07 | H29 | 167.9° | 175.0° |
| O05 | C06 | C07 | H30 | 72.9° | 55.0° |
| C04 | C03 | N02 | H23 | 120.3° | 120.0° |
| C04 | C03 | N02 | H24 | 120.3° | 120.0° |
| C04 | C03 | N02 | C01 | 150.5° | 180.0° |
| C04 | C03 | H23 | H24 | 119.1° | 120.0° |
| C03 | C04 | H25 | H26 | 119.2° | 120.1° |
| C04 | C03 | N02 | H77 | 29.5° | 0.1° |
| C03 | N02 | C01 | H77 | 180.0° | 180.0° |
| C03 | N02 | C01 | O71 | 164.8° | 0.0° |
| C03 | N02 | C01 | C72 | 17.1° | 180.0° |
| N02 | C03 | H23 | H24 | 119.2° | 120.0° |
| N02 | C03 | C04 | H25 | 61.6° | 175.0° |
| N02 | C03 | C04 | H26 | 178.9° | 54.9° |
| N02 | C01 | O71 | C72 | 178.0° | 180.0° |
| N02 | C01 | C72 | C73 | 170.6° | 180.0° |
| C01 | N02 | C03 | H23 | 89.2° | 60.0° |
| C01 | N02 | C03 | H24 | 30.3° | 60.0° |
| N02 | C01 | C72 | H65 | 9.4° | 0.0° |
| O71 | C01 | C72 | C73 | 11.4° | 0.0° |
| O71 | C01 | C72 | H65 | 168.7° | 180.0° |
| O71 | C01 | N02 | H77 | 15.2° | 180.0° |
| C01 | C72 | C73 | H65 | 180.0° | 180.0° |
| C01 | C72 | C73 | C74 | 178.5° | 179.9° |
| C01 | C72 | C73 | H66 | 1.5° | 0.0° |
| C72 | C01 | N02 | H77 | 162.9° | 0.0° |
| C72 | C73 | C74 | H66 | 180.0° | 180.0° |
| C72 | C73 | C74 | N75 | 9.8° | 0.1° |
| C72 | C73 | C74 | C94 | 172.4° | 179.7° |
| C73 | C74 | N75 | C94 | 178.1° | 179.6° |
| C73 | C74 | N75 | C76 | 175.7° | 180.0° |
| C73 | C74 | C94 | C95 | 4.8° | 0.2° |
| C73 | C74 | C94 | C77 | 174.0° | 179.9° |
| C74 | C73 | C72 | H65 | 1.5° | 0.0° |
| C73 | C74 | N75 | H81 | 4.3° | 0.1° |
| C74 | N75 | C76 | H81 | 180.0° | 179.9° |
| N75 | C74 | C94 | C95 | 177.1° | 179.8° |
| N75 | C74 | C94 | C77 | 4.1° | 0.3° |
| C74 | N75 | C76 | C77 | 0.1° | 0.2° |
| N75 | C74 | C73 | H66 | 170.2° | 179.9° |
| C74 | N75 | C76 | H67 | 179.9° | 179.8° |
| C94 | C74 | N75 | C76 | 2.4° | 0.3° |
| C74 | C94 | C95 | C96 | 70.5° | 90.4° |
| C74 | C94 | C95 | C77 | 178.6° | 179.9° |
| C74 | C94 | C95 | CA1 | 106.6° | 89.9° |
| C74 | C94 | C77 | C76 | 4.0° | 0.2° |
| C74 | C94 | C77 | C78 | 179.1° | 179.8° |
| C94 | C74 | C73 | H66 | 7.6° | 0.4° |
| C94 | C74 | N75 | H81 | 177.6° | 179.8° |
| N75 | C76 | C77 | C94 | 2.5° | 0.0° |
| N75 | C76 | C77 | H67 | 180.0° | 180.0° |
| N75 | C76 | C77 | C78 | 177.3° | 180.0° |
| C96 | C97 | C98 | H75 | 180.0° | 180.0° |
| C97 | C96 | C95 | H74 | 180.0° | 179.9° |
| C96 | C97 | C98 | CL99 | 178.8° | 180.0° |
| C96 | C97 | C98 | CA0 | 0.5° | 0.0° |
| C97 | C96 | C95 | C94 | 177.7° | 180.0° |
| C97 | C96 | C95 | CA1 | 0.6° | 0.3° |
| C98 | C97 | C96 | C95 | 0.0° | 0.0° |
| C97 | C98 | CL99 | CA0 | 179.4° | 180.0° |
| C97 | C98 | CA0 | CA1 | 0.6° | 0.3° |
| C98 | C97 | C96 | H74 | 179.9° | 179.9° |
| C97 | C98 | CA0 | H76 | 179.4° | 179.9° |
| C96 | C95 | C94 | CA1 | 177.1° | 179.8° |
| C96 | C95 | C94 | C77 | 110.9° | 89.8° |
| C96 | C95 | CA1 | CA0 | 0.6° | 0.5° |
| C96 | C95 | CA1 | FA2 | 178.7° | 179.7° |
| C95 | C96 | C97 | H75 | 180.0° | 180.0° |
| CL99 | C98 | CA0 | CA1 | 178.8° | 179.7° |
| CL99 | C98 | C97 | H75 | 1.2° | 0.0° |
| CL99 | C98 | CA0 | H76 | 1.2° | 0.0° |
| C98 | CA0 | CA1 | C95 | 0.0° | 0.5° |
| C98 | CA0 | CA1 | H76 | 180.0° | 179.8° |
| C98 | CA0 | CA1 | FA2 | 179.3° | 179.7° |
| CA0 | C98 | C97 | H75 | 179.4° | 180.0° |
| C94 | C95 | CA1 | CA0 | 177.6° | 179.7° |
| C94 | C95 | CA1 | FA2 | 1.7° | 0.1° |
| C95 | C94 | C77 | C76 | 177.2° | 179.9° |
| C95 | C94 | C77 | C78 | 2.2° | 0.1° |
| C94 | C95 | C96 | H74 | 2.3° | 0.1° |
| CA1 | C95 | C94 | C77 | 72.0° | 90.0° |
| C95 | CA1 | CA0 | FA2 | 179.3° | 179.8° |
| CA1 | C95 | C96 | H74 | 179.4° | 179.8° |
| C95 | CA1 | CA0 | H76 | 180.0° | 179.7° |
| C94 | C77 | C76 | C78 | 174.8° | 180.0° |
| C94 | C77 | C78 | O79 | 18.8° | 0.1° |
| C94 | C77 | C78 | N80 | 161.7° | 180.0° |
| C94 | C77 | C76 | H67 | 177.5° | 180.0° |
| FA2 | CA1 | CA0 | H76 | 0.7° | 0.1° |
| C76 | C77 | C78 | O79 | 155.0° | 179.9° |
| C76 | C77 | C78 | N80 | 24.5° | 0.0° |
| C77 | C76 | N75 | H81 | 179.9° | 179.9° |
| C77 | C78 | O79 | N80 | 179.5° | 180.0° |
| C77 | C78 | N80 | C81 | 175.0° | 175.0° |
| C78 | C77 | C76 | H67 | 2.7° | 0.0° |
| C77 | C78 | N80 | H82 | 5.0° | 5.0° |
| O79 | C78 | N80 | C81 | 4.5° | 5.0° |
| O79 | C78 | N80 | H82 | 175.5° | 175.0° |
| C78 | N80 | C81 | H82 | 180.0° | 180.0° |
| C78 | N80 | C81 | C82 | 71.9° | 86.4° |
| C78 | N80 | C81 | C90 | 163.9° | 153.6° |
| C78 | N80 | C81 | H68 | 47.0° | 33.6° |
| N80 | C81 | C82 | C83 | 30.2° | 39.7° |
| N80 | C81 | C82 | C90 | 122.2° | 120.0° |
| N80 | C81 | C82 | H68 | 119.5° | 120.0° |
| N80 | C81 | C90 | H68 | 117.4° | 120.0° |
| N80 | C81 | C82 | C89 | 147.7° | 140.0° |
| N80 | C81 | C90 | C91 | 161.8° | 65.6° |
| N80 | C81 | C90 | H72 | 40.9° | 54.4° |
| N80 | C81 | C90 | H73 | 77.3° | 174.4° |
| CL85 | C84 | C83 | C86 | 179.7° | 180.0° |
| CL85 | C84 | C83 | C82 | 179.9° | 180.0° |
| CL85 | C84 | C86 | F87 | 0.8° | 0.0° |
| CL85 | C84 | C86 | C88 | 179.3° | 180.0° |
| CL85 | C84 | C83 | H69 | 0.1° | 0.0° |
| C84 | C83 | C82 | H69 | 180.0° | 180.0° |
| C84 | C83 | C82 | C81 | 178.7° | 180.0° |
| C84 | C83 | C82 | C89 | 0.8° | 0.2° |
| C83 | C84 | C86 | F87 | 178.9° | 180.0° |
| C83 | C84 | C86 | C88 | 0.9° | 0.1° |
| C83 | C82 | C81 | C89 | 177.9° | 179.8° |
| C83 | C82 | C81 | C90 | 92.0° | 80.3° |
| C82 | C83 | C84 | C86 | 0.4° | 0.0° |
| C83 | C82 | C89 | C88 | 1.3° | 0.5° |
| C83 | C82 | C81 | H68 | 149.7° | 159.8° |
| C83 | C82 | C89 | H71 | 178.7° | 179.7° |
| C82 | C81 | C90 | H68 | 118.4° | 120.0° |
| C82 | C81 | C90 | C91 | 74.0° | 174.4° |
| C81 | C82 | C89 | C88 | 179.3° | 179.8° |
| C81 | C82 | C83 | H69 | 1.3° | 0.0° |
| C81 | C82 | C89 | H71 | 0.7° | 0.0° |
| C82 | C81 | C90 | H72 | 165.1° | 65.6° |
| C82 | C81 | C90 | H73 | 46.9° | 54.4° |
| C82 | C81 | N80 | H82 | 108.1° | 93.6° |
| C90 | C81 | C82 | C89 | 90.0° | 99.9° |
| C81 | C90 | C91 | H72 | 120.9° | 119.9° |
| C81 | C90 | C91 | H73 | 120.9° | 120.0° |
| C81 | C90 | C91 | O92 | 54.5° | 4.0° |
| C81 | C90 | C91 | N93 | 128.0° | 175.9° |
| C81 | C90 | H72 | H73 | 117.3° | 120.0° |
| C90 | C81 | N80 | H82 | 16.1° | 26.4° |
| C84 | C86 | F87 | C88 | 179.9° | 179.9° |
| C84 | C86 | C88 | C89 | 0.4° | 0.3° |
| C86 | C84 | C83 | H69 | 179.6° | 180.0° |
| C84 | C86 | C88 | H70 | 179.6° | 180.0° |
| C82 | C89 | C88 | C86 | 0.8° | 0.5° |
| C82 | C89 | C88 | H71 | 180.0° | 179.8° |
| C89 | C82 | C81 | H68 | 28.3° | 20.0° |
| C89 | C82 | C83 | H69 | 179.3° | 179.8° |
| C82 | C89 | C88 | H70 | 179.2° | 179.8° |
| C90 | C91 | O92 | N93 | 177.5° | 180.0° |
| C91 | C90 | C81 | H68 | 44.3° | 54.5° |
| C91 | C90 | H72 | H73 | 117.3° | 120.1° |
| C90 | C91 | N93 | H83 | 177.6° | 0.0° |
| C90 | C91 | N93 | H84 | 2.4° | 180.0° |
| F87 | C86 | C88 | C89 | 179.5° | 179.8° |
| F87 | C86 | C88 | H70 | 0.5° | 0.0° |
| C86 | C88 | C89 | H70 | 180.0° | 179.7° |
| C86 | C88 | C89 | H71 | 179.2° | 179.7° |
| O92 | C91 | C90 | H72 | 66.4° | 115.9° |
| O92 | C91 | C90 | H73 | 175.3° | 124.1° |
| O92 | C91 | N93 | H83 | 0.0° | 180.0° |
| O92 | C91 | N93 | H84 | 180.0° | 0.0° |
| N93 | C91 | C90 | H72 | 111.1° | 64.2° |
| N93 | C91 | C90 | H73 | 7.1° | 55.9° |
| C91 | N93 | H83 | H84 | 180.0° | 180.0° |
| H1 | C10 | C09 | H31 | 70.9° | 55.0° |
| H1 | C10 | C09 | H32 | 49.1° | 65.0° |
| H2 | C10 | C09 | H31 | 169.6° | 64.9° |
| H2 | C10 | C09 | H32 | 70.3° | 175.1° |
| H3 | C12 | C13 | H5 | 72.6° | 55.0° |
| H3 | C12 | C13 | H6 | 168.0° | 65.0° |
| H4 | C12 | C13 | H5 | 46.5° | 65.0° |
| H4 | C12 | C13 | H6 | 72.8° | 175.0° |
| H7 | C15 | C16 | H9 | 145.2° | 55.1° |
| H7 | C15 | C16 | H10 | 26.0° | 65.0° |
| H8 | C15 | C16 | H9 | 95.1° | 65.0° |
| H8 | C15 | C16 | H10 | 145.8° | 175.0° |
| H11 | C18 | C19 | H13 | 75.3° | 55.0° |
| H11 | C18 | C19 | H14 | 165.9° | 65.0° |
| H12 | C18 | C19 | H13 | 43.7° | 65.0° |
| H12 | C18 | C19 | H14 | 75.1° | 175.0° |
| H15 | C21 | C22 | H17 | 58.4° | 55.0° |
| H15 | C21 | C22 | H18 | 61.9° | 64.9° |
| H16 | C21 | C22 | H17 | 178.2° | 65.1° |
| H16 | C21 | C22 | H18 | 57.9° | 175.0° |
| H19 | C24 | C25 | H21 | 176.9° | 55.0° |
| H19 | C24 | C25 | H22 | 57.2° | 65.0° |
| H20 | C24 | C25 | H21 | 57.4° | 65.0° |
| H20 | C24 | C25 | H22 | 62.2° | 175.0° |
| H23 | C03 | C04 | H25 | 58.7° | 55.1° |
| H23 | C03 | C04 | H26 | 60.8° | 65.0° |
| H23 | C03 | N02 | H77 | 90.8° | 120.0° |
| H24 | C03 | C04 | H25 | 178.1° | 65.0° |
| H24 | C03 | C04 | H26 | 58.7° | 174.9° |
| H24 | C03 | N02 | H77 | 149.7° | 120.0° |
| H27 | C06 | C07 | H29 | 48.1° | 54.9° |
| H27 | C06 | C07 | H30 | 167.3° | 65.0° |
| H28 | C06 | C07 | H29 | 72.3° | 65.0° |
| H28 | C06 | C07 | H30 | 47.0° | 175.0° |
| H33 | C27 | C28 | H35 | 167.6° | 55.0° |
| H33 | C27 | C28 | H36 | 72.5° | 65.0° |
| H34 | C27 | C28 | H35 | 73.4° | 65.0° |
| H34 | C27 | C28 | H36 | 46.5° | 175.0° |
| H37 | C30 | C31 | H39 | 168.8° | 55.0° |
| H37 | C30 | C31 | H40 | 72.4° | 65.1° |
| H38 | C30 | C31 | H39 | 72.1° | 64.9° |
| H38 | C30 | C31 | H40 | 46.7° | 175.0° |
| H39 | C31 | N32 | H78 | 136.9° | 120.0° |
| H40 | C31 | N32 | H78 | 104.3° | 120.0° |
| H41 | C36 | C37 | H42 | 0.5° | 0.1° |
| H43 | C42 | C69 | H63 | 0.8° | 0.2° |
| H46 | C53 | C54 | H47 | 0.4° | 0.0° |
| H48 | C61 | C62 | H50 | 47.3° | 58.4° |
| H49 | C61 | C62 | H50 | 164.9° | 178.5° |
| H50 | C62 | C63 | H51 | 61.8° | 60.0° |
| H50 | C62 | C63 | H52 | 58.2° | 60.0° |
| H50 | C62 | C63 | H53 | 178.2° | 180.0° |
| H51 | C63 | H52 | H53 | 120.0° | 120.0° |
| H54 | C65 | H55 | H56 | 120.0° | 120.0° |
| H57 | C66 | C67 | H58 | 61.3° | 180.0° |
| H57 | C66 | C67 | H59 | 178.7° | 60.0° |
| H57 | C66 | C67 | H60 | 58.7° | 60.0° |
| H57 | C66 | C68 | H61 | 163.8° | 178.5° |
| H57 | C66 | C68 | H62 | 46.3° | 58.4° |
| H58 | C67 | H59 | H60 | 120.0° | 120.0° |
| H65 | C72 | C73 | H66 | 178.5° | 180.0° |
| H67 | C76 | N75 | H81 | 0.1° | 0.1° |
| H68 | C81 | C90 | H72 | 76.5° | 174.4° |
| H68 | C81 | C90 | H73 | 165.2° | 65.6° |
| H68 | C81 | N80 | H82 | 133.0° | 146.4° |
| H70 | C88 | C89 | H71 | 0.8° | 0.0° |
| H74 | C96 | C97 | H75 | 0.0° | 0.1° |
