TL7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O76 | C75 | doub | 1.22Å | 1.24Å | |
| C62 | C61 | doub | 1.38Å | 1.39Å | Aromatic |
| C62 | C63 | sing | 1.39Å | 1.39Å | Aromatic |
| C61 | C60 | sing | 1.39Å | 1.39Å | Aromatic |
| N77 | C75 | sing | 1.35Å | 1.33Å | |
| C75 | C57 | sing | 1.47Å | 1.47Å | |
| O66 | C63 | sing | 1.36Å | 1.41Å | |
| O66 | C67 | sing | 1.36Å | 1.40Å | |
| C63 | C64 | doub | 1.39Å | 1.39Å | Aromatic |
| C57 | C58 | sing | 1.47Å | 1.44Å | Aromatic |
| C57 | C56 | doub | 1.39Å | 1.41Å | Aromatic |
| C67 | C68 | doub | 1.39Å | 1.39Å | Aromatic |
| C67 | C72 | sing | 1.39Å | 1.38Å | Aromatic |
| C60 | C58 | sing | 1.48Å | 1.48Å | |
| C60 | C65 | doub | 1.39Å | 1.39Å | Aromatic |
| N78 | C56 | sing | 1.38Å | 1.35Å | |
| F73 | C72 | sing | 1.35Å | 1.35Å | |
| C58 | N59 | doub | 1.31Å | 1.33Å | Aromatic |
| C68 | C69 | sing | 1.38Å | 1.38Å | Aromatic |
| C56 | N55 | sing | 1.35Å | 1.35Å | Aromatic |
| C72 | C71 | doub | 1.38Å | 1.37Å | Aromatic |
| C64 | C65 | sing | 1.38Å | 1.38Å | Aromatic |
| C69 | C70 | doub | 1.38Å | 1.37Å | Aromatic |
| N59 | N55 | sing | 1.40Å | 1.38Å | Aromatic |
| N55 | C52 | sing | 1.46Å | 1.48Å | |
| C71 | C70 | sing | 1.39Å | 1.38Å | Aromatic |
| C70 | F74 | sing | 1.35Å | 1.36Å | |
| C51 | C52 | sing | 1.53Å | 1.53Å | |
| C51 | C50 | sing | 1.53Å | 1.53Å | |
| C52 | C54 | sing | 1.53Å | 1.52Å | |
| C37 | O36 | sing | 1.43Å | 1.44Å | |
| C37 | C38 | sing | 1.51Å | 1.50Å | |
| O36 | C15 | sing | 1.36Å | 1.38Å | |
| C50 | C49 | sing | 1.53Å | 1.53Å | |
| N43 | C38 | doub | 1.32Å | 1.34Å | Aromatic |
| N43 | C42 | sing | 1.32Å | 1.34Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C54 | N48 | sing | 1.47Å | 1.46Å | |
| C42 | C41 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C49 | N48 | sing | 1.47Å | 1.47Å | |
| N48 | C46 | sing | 1.35Å | 1.35Å | |
| C39 | N40 | doub | 1.32Å | 1.34Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| O47 | C46 | doub | 1.22Å | 1.21Å | |
| C46 | O45 | sing | 1.35Å | 1.35Å | |
| C41 | N40 | sing | 1.32Å | 1.34Å | Aromatic |
| C41 | C44 | sing | 1.51Å | 1.50Å | |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| O45 | C44 | sing | 1.45Å | 1.46Å | |
| C13 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C12 | N11 | sing | 1.47Å | 1.47Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C80 | C79 | sing | 1.53Å | 1.53Å | |
| N11 | C20 | sing | 1.47Å | 1.47Å | |
| N11 | C9 | sing | 1.35Å | 1.35Å | |
| O5 | C4 | doub | 1.21Å | 1.23Å | |
| C20 | C22 | sing | 1.51Å | 1.53Å | |
| C81 | C79 | sing | 1.53Å | 1.53Å | |
| C7 | C79 | sing | 1.53Å | 1.56Å | |
| C7 | C9 | sing | 1.51Å | 1.54Å | |
| C7 | N6 | sing | 1.46Å | 1.46Å | |
| C79 | C82 | sing | 1.53Å | 1.53Å | |
| O23 | C22 | doub | 1.21Å | 1.23Å | |
| C9 | O10 | doub | 1.21Å | 1.22Å | |
| C22 | N24 | sing | 1.35Å | 1.34Å | |
| C4 | N6 | sing | 1.35Å | 1.34Å | |
| C4 | C2 | sing | 1.51Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | C25 | sing | 1.53Å | 1.53Å | |
| C84 | N83 | sing | 1.47Å | 1.46Å | |
| N24 | C25 | sing | 1.46Å | 1.46Å | |
| N83 | C2 | sing | 1.47Å | 1.47Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C25 | C31 | sing | 1.51Å | 1.52Å | |
| C29 | C30 | sing | 1.51Å | 1.51Å | |
| C31 | C30 | doub | 1.38Å | 1.41Å | Aromatic |
| C31 | C32 | sing | 1.39Å | 1.39Å | Aromatic |
| C30 | C35 | sing | 1.39Å | 1.39Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | H1 | sing | 1.08Å | 1.08Å | |
| C33 | H2 | sing | 1.08Å | 1.08Å | |
| C37 | H3 | sing | 1.09Å | 1.10Å | |
| C37 | H4 | sing | 1.09Å | 1.10Å | |
| C34 | H5 | sing | 1.08Å | 1.08Å | |
| C32 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C39 | H27 | sing | 1.08Å | 1.08Å | |
| C42 | H28 | sing | 1.08Å | 1.08Å | |
| C44 | H29 | sing | 1.09Å | 1.10Å | |
| C44 | H30 | sing | 1.09Å | 1.10Å | |
| C49 | H31 | sing | 1.09Å | 1.10Å | |
| C49 | H32 | sing | 1.09Å | 1.10Å | |
| C50 | H33 | sing | 1.09Å | 1.10Å | |
| C50 | H34 | sing | 1.09Å | 1.10Å | |
| C51 | H35 | sing | 1.09Å | 1.10Å | |
| C51 | H36 | sing | 1.09Å | 1.10Å | |
| C52 | H37 | sing | 1.09Å | 1.10Å | |
| C54 | H38 | sing | 1.09Å | 1.10Å | |
| C54 | H39 | sing | 1.09Å | 1.10Å | |
| C61 | H40 | sing | 1.08Å | 1.08Å | |
| C62 | H41 | sing | 1.08Å | 1.08Å | |
| C64 | H42 | sing | 1.08Å | 1.08Å | |
| C65 | H43 | sing | 1.08Å | 1.08Å | |
| C68 | H44 | sing | 1.08Å | 1.08Å | |
| C69 | H45 | sing | 1.08Å | 1.08Å | |
| C71 | H46 | sing | 1.08Å | 1.08Å | |
| C80 | H47 | sing | 1.09Å | 1.10Å | |
| C80 | H48 | sing | 1.09Å | 1.10Å | |
| C80 | H49 | sing | 1.09Å | 1.10Å | |
| C81 | H50 | sing | 1.09Å | 1.10Å | |
| C81 | H51 | sing | 1.09Å | 1.10Å | |
| C81 | H52 | sing | 1.09Å | 1.10Å | |
| C82 | H53 | sing | 1.09Å | 1.10Å | |
| C82 | H54 | sing | 1.09Å | 1.10Å | |
| C82 | H55 | sing | 1.09Å | 1.10Å | |
| C84 | H56 | sing | 1.09Å | 1.10Å | |
| C84 | H57 | sing | 1.09Å | 1.10Å | |
| C84 | H58 | sing | 1.09Å | 1.10Å | |
| N24 | H59 | sing | 0.97Å | 1.00Å | |
| N6 | H60 | sing | 0.97Å | 1.00Å | |
| N77 | H61 | sing | 0.97Å | 1.00Å | |
| N77 | H62 | sing | 0.97Å | 1.00Å | |
| N78 | H63 | sing | 0.97Å | 1.00Å | |
| N78 | H64 | sing | 0.97Å | 1.00Å | |
| N83 | H65 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O76 | C75 | N77 | 121.8° | 120.0° |
| O76 | C75 | C57 | 119.8° | 120.0° |
| C61 | C62 | C63 | 119.9° | 120.1° |
| C62 | C61 | C60 | 120.8° | 119.9° |
| C62 | C61 | H40 | 119.6° | 120.0° |
| C61 | C62 | H41 | 120.1° | 120.0° |
| C62 | C63 | O66 | 117.3° | 119.9° |
| C62 | C63 | C64 | 119.9° | 120.2° |
| C63 | C62 | H41 | 120.1° | 120.0° |
| C61 | C60 | C58 | 120.7° | 120.1° |
| C61 | C60 | C65 | 118.6° | 119.9° |
| C60 | C61 | H40 | 119.6° | 120.0° |
| N77 | C75 | C57 | 118.4° | 120.0° |
| C75 | N77 | H61 | 120.0° | 120.0° |
| C75 | N77 | H62 | 120.0° | 120.0° |
| C75 | C57 | C58 | 131.1° | 126.9° |
| C75 | C57 | C56 | 124.4° | 126.9° |
| C63 | O66 | C67 | 122.2° | 118.0° |
| O66 | C63 | C64 | 122.8° | 119.9° |
| O66 | C67 | C68 | 119.8° | 120.0° |
| O66 | C67 | C72 | 121.6° | 120.0° |
| C63 | C64 | C65 | 119.9° | 120.1° |
| C63 | C64 | H42 | 120.1° | 120.0° |
| C58 | C57 | C56 | 104.5° | 106.2° |
| C57 | C58 | C60 | 130.7° | 126.4° |
| C57 | C58 | N59 | 110.4° | 107.1° |
| C57 | C56 | N78 | 128.7° | 126.2° |
| C57 | C56 | N55 | 107.1° | 107.6° |
| C68 | C67 | C72 | 118.3° | 119.9° |
| C67 | C68 | C69 | 120.5° | 120.0° |
| C67 | C68 | H44 | 119.8° | 120.0° |
| C67 | C72 | F73 | 118.2° | 120.0° |
| C67 | C72 | C71 | 122.8° | 119.9° |
| C58 | C60 | C65 | 120.7° | 120.1° |
| C60 | C58 | N59 | 118.8° | 126.4° |
| C60 | C65 | C64 | 120.8° | 119.9° |
| C60 | C65 | H43 | 119.6° | 120.0° |
| N78 | C56 | N55 | 124.2° | 126.2° |
| C56 | N78 | H63 | 109.5° | 120.0° |
| C56 | N78 | H64 | 109.5° | 119.9° |
| F73 | C72 | C71 | 119.0° | 120.0° |
| C58 | N59 | N55 | 106.2° | 109.4° |
| C68 | C69 | C70 | 118.4° | 120.1° |
| C69 | C68 | H44 | 119.8° | 120.0° |
| C68 | C69 | H45 | 120.8° | 119.9° |
| C56 | N55 | N59 | 111.8° | 109.7° |
| C56 | N55 | C52 | 127.7° | 125.2° |
| C72 | C71 | C70 | 116.7° | 120.0° |
| C72 | C71 | H46 | 121.7° | 120.0° |
| C65 | C64 | H42 | 120.1° | 119.9° |
| C64 | C65 | H43 | 119.6° | 120.1° |
| C69 | C70 | C71 | 123.3° | 120.1° |
| C69 | C70 | F74 | 118.2° | 120.0° |
| C70 | C69 | H45 | 120.8° | 120.0° |
| N59 | N55 | C52 | 120.5° | 125.1° |
| N55 | C52 | C51 | 110.8° | 109.5° |
| N55 | C52 | C54 | 110.2° | 109.5° |
| N55 | C52 | H37 | 108.5° | 109.5° |
| C71 | C70 | F74 | 118.3° | 119.9° |
| C70 | C71 | H46 | 121.7° | 120.0° |
| C52 | C51 | C50 | 111.9° | 109.6° |
| C51 | C52 | C54 | 111.4° | 109.3° |
| C52 | C51 | H35 | 108.8° | 109.5° |
| C52 | C51 | H36 | 108.8° | 109.4° |
| C51 | C52 | H37 | 107.8° | 109.4° |
| C51 | C50 | C49 | 111.8° | 109.3° |
| C51 | C50 | H33 | 108.9° | 109.5° |
| C51 | C50 | H34 | 108.9° | 109.6° |
| C50 | C51 | H35 | 108.9° | 109.5° |
| C50 | C51 | H36 | 108.9° | 109.4° |
| C52 | C54 | N48 | 109.2° | 108.8° |
| C54 | C52 | H37 | 108.0° | 109.5° |
| C52 | C54 | H38 | 109.5° | 109.6° |
| C52 | C54 | H39 | 109.6° | 109.5° |
| O36 | C37 | C38 | 113.6° | 109.5° |
| C37 | O36 | C15 | 120.3° | 117.0° |
| O36 | C37 | H3 | 108.5° | 109.4° |
| O36 | C37 | H4 | 108.5° | 109.5° |
| C37 | C38 | N43 | 113.8° | 120.0° |
| C37 | C38 | C39 | 125.6° | 120.0° |
| C38 | C37 | H3 | 108.4° | 109.5° |
| C38 | C37 | H4 | 108.4° | 109.5° |
| O36 | C15 | C16 | 112.1° | 120.2° |
| O36 | C15 | C14 | 128.0° | 120.2° |
| C50 | C49 | N48 | 112.0° | 108.8° |
| C50 | C49 | H31 | 108.8° | 109.6° |
| C50 | C49 | H32 | 108.8° | 109.7° |
| C49 | C50 | H33 | 108.9° | 109.5° |
| C49 | C50 | H34 | 108.9° | 109.5° |
| C38 | N43 | C42 | 118.7° | 120.0° |
| N43 | C38 | C39 | 120.4° | 120.0° |
| N43 | C42 | C41 | 120.8° | 120.0° |
| N43 | C42 | H28 | 119.6° | 120.0° |
| C38 | C39 | N40 | 120.9° | 120.0° |
| C38 | C39 | H27 | 119.6° | 120.0° |
| C54 | N48 | C49 | 113.9° | 118.8° |
| C54 | N48 | C46 | 121.6° | 120.6° |
| N48 | C54 | H38 | 109.6° | 109.6° |
| N48 | C54 | H39 | 109.5° | 109.6° |
| C42 | C41 | N40 | 120.6° | 120.0° |
| C42 | C41 | C44 | 124.9° | 120.0° |
| C41 | C42 | H28 | 119.6° | 120.0° |
| C16 | C15 | C14 | 119.9° | 119.6° |
| C15 | C16 | C17 | 119.7° | 119.8° |
| C15 | C16 | H9 | 120.2° | 120.1° |
| C15 | C14 | C13 | 120.7° | 120.5° |
| C15 | C14 | H17 | 119.6° | 119.8° |
| C49 | N48 | C46 | 124.3° | 120.6° |
| N48 | C49 | H31 | 108.9° | 109.6° |
| N48 | C49 | H32 | 108.9° | 109.6° |
| N48 | C46 | O47 | 123.9° | 120.0° |
| N48 | C46 | O45 | 111.6° | 120.0° |
| C39 | N40 | C41 | 118.5° | 120.0° |
| N40 | C39 | H27 | 119.6° | 120.0° |
| C16 | C17 | C18 | 121.2° | 120.6° |
| C17 | C16 | H9 | 120.2° | 120.1° |
| C16 | C17 | H18 | 119.4° | 119.7° |
| C14 | C13 | C18 | 119.4° | 119.9° |
| C14 | C13 | C12 | 121.9° | 117.8° |
| C13 | C14 | H17 | 119.7° | 119.8° |
| O47 | C46 | O45 | 124.4° | 120.0° |
| C46 | O45 | C44 | 116.6° | 117.0° |
| N40 | C41 | C44 | 114.5° | 119.9° |
| C41 | C44 | O45 | 110.9° | 109.4° |
| C41 | C44 | H29 | 109.1° | 109.5° |
| C41 | C44 | H30 | 109.1° | 109.5° |
| C17 | C18 | C13 | 119.2° | 119.6° |
| C17 | C18 | C19 | 123.8° | 117.6° |
| C18 | C17 | H18 | 119.4° | 119.7° |
| O45 | C44 | H29 | 109.1° | 109.4° |
| O45 | C44 | H30 | 109.1° | 109.4° |
| C18 | C13 | C12 | 118.6° | 122.3° |
| C13 | C18 | C19 | 117.0° | 122.9° |
| C13 | C12 | N11 | 112.2° | 109.7° |
| C13 | C12 | H15 | 108.8° | 109.4° |
| C13 | C12 | H16 | 108.8° | 109.4° |
| C18 | C19 | C20 | 110.2° | 110.8° |
| C18 | C19 | H10 | 109.3° | 109.2° |
| C18 | C19 | H11 | 109.3° | 109.2° |
| C12 | N11 | C20 | 120.2° | 117.3° |
| C12 | N11 | C9 | 123.0° | 121.3° |
| N11 | C12 | H15 | 108.8° | 109.5° |
| N11 | C12 | H16 | 108.8° | 109.4° |
| C19 | C20 | N11 | 111.9° | 107.9° |
| C19 | C20 | C22 | 109.9° | 109.8° |
| C19 | C20 | H8 | 106.4° | 109.8° |
| C20 | C19 | H10 | 109.3° | 109.2° |
| C20 | C19 | H11 | 109.3° | 109.2° |
| C80 | C79 | C81 | 107.7° | 109.5° |
| C80 | C79 | C7 | 110.9° | 109.5° |
| C80 | C79 | C82 | 108.3° | 109.5° |
| C79 | C80 | H47 | 109.5° | 109.5° |
| C79 | C80 | H48 | 109.5° | 109.5° |
| C79 | C80 | H49 | 109.5° | 109.5° |
| C20 | N11 | C9 | 116.6° | 121.4° |
| N11 | C20 | C22 | 114.4° | 109.8° |
| N11 | C20 | H8 | 107.2° | 109.8° |
| N11 | C9 | C7 | 119.3° | 120.0° |
| N11 | C9 | O10 | 121.5° | 120.0° |
| O5 | C4 | N6 | 123.3° | 120.0° |
| O5 | C4 | C2 | 120.8° | 120.0° |
| C20 | C22 | O23 | 121.2° | 120.0° |
| C20 | C22 | N24 | 114.8° | 120.0° |
| C22 | C20 | H8 | 106.5° | 109.8° |
| C81 | C79 | C7 | 110.4° | 109.4° |
| C81 | C79 | C82 | 107.9° | 109.5° |
| C79 | C81 | H50 | 109.5° | 109.5° |
| C79 | C81 | H51 | 109.5° | 109.5° |
| C79 | C81 | H52 | 109.5° | 109.5° |
| C79 | C7 | C9 | 115.0° | 109.5° |
| C79 | C7 | N6 | 112.1° | 109.5° |
| C7 | C79 | C82 | 111.5° | 109.5° |
| C79 | C7 | H7 | 106.9° | 109.5° |
| C9 | C7 | N6 | 107.2° | 109.5° |
| C7 | C9 | O10 | 119.1° | 119.9° |
| C9 | C7 | H7 | 107.2° | 109.4° |
| C7 | N6 | C4 | 127.8° | 120.0° |
| N6 | C7 | H7 | 108.2° | 109.5° |
| C7 | N6 | H60 | 116.1° | 120.0° |
| C79 | C82 | H53 | 109.5° | 109.5° |
| C79 | C82 | H54 | 109.5° | 109.5° |
| C79 | C82 | H55 | 109.5° | 109.5° |
| O23 | C22 | N24 | 124.0° | 120.0° |
| C22 | N24 | C25 | 124.1° | 120.0° |
| C22 | N24 | H59 | 117.9° | 120.0° |
| N6 | C4 | C2 | 115.9° | 120.0° |
| C4 | N6 | H60 | 116.1° | 120.0° |
| C4 | C2 | N83 | 110.5° | 109.5° |
| C4 | C2 | C1 | 110.2° | 109.5° |
| C4 | C2 | H19 | 108.7° | 109.5° |
| C28 | C27 | C25 | 111.6° | 108.4° |
| C27 | C28 | C29 | 110.8° | 108.4° |
| C28 | C27 | H21 | 109.0° | 109.7° |
| C28 | C27 | H22 | 108.9° | 109.7° |
| C27 | C28 | H23 | 109.1° | 109.7° |
| C27 | C28 | H24 | 109.1° | 109.7° |
| C27 | C25 | N24 | 106.7° | 109.2° |
| C27 | C25 | C31 | 116.4° | 110.6° |
| C27 | C25 | H20 | 108.0° | 109.3° |
| C25 | C27 | H21 | 108.9° | 109.7° |
| C25 | C27 | H22 | 109.0° | 109.7° |
| C84 | N83 | C2 | 115.2° | 111.0° |
| N83 | C84 | H56 | 109.5° | 109.5° |
| N83 | C84 | H57 | 109.5° | 109.5° |
| N83 | C84 | H58 | 109.5° | 109.4° |
| C84 | N83 | H65 | 108.0° | 111.0° |
| N24 | C25 | C31 | 108.8° | 109.2° |
| N24 | C25 | H20 | 108.8° | 109.3° |
| C25 | N24 | H59 | 117.9° | 120.0° |
| N83 | C2 | C1 | 109.3° | 109.5° |
| N83 | C2 | H19 | 109.5° | 109.5° |
| C2 | N83 | H65 | 108.0° | 111.0° |
| C28 | C29 | C30 | 111.7° | 110.6° |
| C29 | C28 | H23 | 109.1° | 109.7° |
| C29 | C28 | H24 | 109.2° | 109.7° |
| C28 | C29 | H25 | 108.9° | 109.3° |
| C28 | C29 | H26 | 108.9° | 109.2° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C2 | C1 | H14 | 109.5° | 109.5° |
| C1 | C2 | H19 | 108.7° | 109.4° |
| C25 | C31 | C30 | 121.2° | 122.6° |
| C25 | C31 | C32 | 119.6° | 117.8° |
| C31 | C25 | H20 | 108.0° | 109.2° |
| C29 | C30 | C31 | 121.0° | 122.5° |
| C29 | C30 | C35 | 119.9° | 117.7° |
| C30 | C29 | H25 | 108.9° | 109.3° |
| C30 | C29 | H26 | 108.9° | 109.2° |
| C30 | C31 | C32 | 119.1° | 119.6° |
| C31 | C30 | C35 | 119.1° | 119.7° |
| C31 | C32 | C33 | 120.8° | 120.6° |
| C31 | C32 | H6 | 119.6° | 119.7° |
| C30 | C35 | C34 | 120.9° | 120.5° |
| C30 | C35 | H1 | 119.6° | 119.7° |
| C32 | C33 | C34 | 120.1° | 119.7° |
| C32 | C33 | H2 | 120.0° | 120.2° |
| C33 | C32 | H6 | 119.6° | 119.7° |
| C35 | C34 | C33 | 120.0° | 119.8° |
| C34 | C35 | H1 | 119.6° | 119.7° |
| C35 | C34 | H5 | 120.0° | 120.1° |
| C34 | C33 | H2 | 120.0° | 120.1° |
| C33 | C34 | H5 | 120.0° | 120.1° |
| H3 | C37 | H4 | 109.4° | 109.4° |
| H10 | C19 | H11 | 109.5° | 109.2° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H14 | 109.4° | 109.4° |
| H13 | C1 | H14 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.5° | 109.4° |
| H21 | C27 | H22 | 109.4° | 109.7° |
| H23 | C28 | H24 | 109.5° | 109.7° |
| H25 | C29 | H26 | 109.5° | 109.2° |
| H29 | C44 | H30 | 109.5° | 109.5° |
| H31 | C49 | H32 | 109.5° | 109.6° |
| H33 | C50 | H34 | 109.4° | 109.5° |
| H35 | C51 | H36 | 109.5° | 109.4° |
| H38 | C54 | H39 | 109.5° | 109.7° |
| H47 | C80 | H48 | 109.5° | 109.4° |
| H47 | C80 | H49 | 109.5° | 109.4° |
| H48 | C80 | H49 | 109.4° | 109.5° |
| H50 | C81 | H51 | 109.5° | 109.4° |
| H50 | C81 | H52 | 109.5° | 109.5° |
| H51 | C81 | H52 | 109.5° | 109.4° |
| H53 | C82 | H54 | 109.4° | 109.5° |
| H53 | C82 | H55 | 109.5° | 109.4° |
| H54 | C82 | H55 | 109.5° | 109.5° |
| H56 | C84 | H57 | 109.5° | 109.5° |
| H56 | C84 | H58 | 109.4° | 109.5° |
| H57 | C84 | H58 | 109.4° | 109.5° |
| H61 | N77 | H62 | 120.0° | 120.0° |
| H63 | N78 | H64 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O76 | C75 | N77 | C57 | 179.5° | 179.9° |
| O76 | C75 | C57 | C58 | 158.8° | 90.1° |
| O76 | C75 | C57 | C56 | 20.7° | 90.0° |
| O76 | C75 | N77 | H61 | 0.0° | 180.0° |
| O76 | C75 | N77 | H62 | 180.0° | 0.1° |
| C61 | C62 | C63 | H41 | 180.0° | 180.0° |
| C62 | C61 | C60 | H40 | 180.0° | 180.0° |
| C61 | C62 | C63 | O66 | 175.0° | 180.0° |
| C61 | C62 | C63 | C64 | 4.2° | 0.1° |
| C62 | C61 | C60 | C58 | 178.9° | 179.9° |
| C62 | C61 | C60 | C65 | 0.8° | 0.3° |
| C63 | C62 | C61 | C60 | 2.5° | 0.0° |
| C62 | C63 | O66 | C64 | 179.2° | 180.0° |
| C62 | C63 | O66 | C67 | 172.6° | 75.1° |
| C62 | C63 | C64 | C65 | 2.6° | 0.3° |
| C63 | C62 | C61 | H40 | 177.5° | 180.0° |
| C62 | C63 | C64 | H42 | 177.3° | 179.9° |
| C61 | C60 | C58 | C57 | 75.8° | 34.7° |
| C61 | C60 | C58 | C65 | 179.7° | 179.7° |
| C61 | C60 | C58 | N59 | 102.4° | 145.2° |
| C61 | C60 | C65 | C64 | 2.4° | 0.6° |
| C60 | C61 | C62 | H41 | 177.5° | 180.0° |
| C61 | C60 | C65 | H43 | 177.6° | 179.7° |
| N77 | C75 | C57 | C58 | 20.8° | 90.0° |
| N77 | C75 | C57 | C56 | 159.8° | 89.9° |
| C75 | N77 | H61 | H62 | 180.0° | 179.9° |
| C75 | C57 | C58 | C56 | 179.6° | 180.0° |
| C75 | C57 | C58 | C60 | 1.5° | 0.0° |
| C75 | C57 | C56 | N78 | 0.1° | 0.2° |
| C75 | C57 | C58 | N59 | 179.8° | 180.0° |
| C75 | C57 | C56 | N55 | 179.7° | 180.0° |
| C57 | C75 | N77 | H61 | 179.5° | 0.1° |
| C57 | C75 | N77 | H62 | 0.5° | 180.0° |
| C63 | O66 | C67 | C68 | 62.6° | 5.1° |
| C63 | O66 | C67 | C72 | 122.7° | 175.2° |
| O66 | C63 | C64 | C65 | 176.5° | 179.7° |
| O66 | C63 | C62 | H41 | 5.0° | 0.0° |
| O66 | C63 | C64 | H42 | 3.5° | 0.0° |
| C67 | O66 | C63 | C64 | 6.6° | 104.9° |
| O66 | C67 | C68 | C72 | 174.8° | 179.7° |
| O66 | C67 | C72 | F73 | 4.4° | 0.3° |
| O66 | C67 | C68 | C69 | 175.1° | 179.7° |
| O66 | C67 | C72 | C71 | 174.9° | 179.8° |
| O66 | C67 | C68 | H44 | 4.8° | 0.3° |
| C63 | C64 | C65 | C60 | 0.7° | 0.6° |
| C63 | C64 | C65 | H42 | 180.0° | 179.7° |
| C64 | C63 | C62 | H41 | 175.8° | 180.0° |
| C63 | C64 | C65 | H43 | 179.3° | 179.7° |
| C57 | C58 | C60 | N59 | 178.2° | 179.9° |
| C57 | C58 | C60 | C65 | 103.9° | 145.0° |
| C58 | C57 | C56 | N78 | 179.7° | 179.7° |
| C58 | C57 | C56 | N55 | 0.1° | 0.0° |
| C57 | C58 | N59 | N55 | 0.3° | 0.1° |
| C56 | C57 | C58 | C60 | 178.0° | 180.0° |
| C57 | C56 | N78 | N55 | 179.8° | 179.7° |
| C56 | C57 | C58 | N59 | 0.3° | 0.1° |
| C57 | C56 | N55 | N59 | 0.0° | 0.0° |
| C57 | C56 | N55 | C52 | 178.9° | 180.0° |
| C57 | C56 | N78 | H63 | 180.0° | 179.7° |
| C57 | C56 | N78 | H64 | 60.0° | 0.3° |
| C68 | C67 | C72 | F73 | 179.1° | 180.0° |
| C67 | C68 | C69 | H44 | 180.0° | 180.0° |
| C68 | C67 | C72 | C71 | 0.1° | 0.1° |
| C67 | C68 | C69 | C70 | 0.3° | 0.1° |
| C67 | C68 | C69 | H45 | 179.7° | 180.0° |
| C67 | C72 | F73 | C71 | 179.3° | 179.9° |
| C72 | C67 | C68 | C69 | 0.3° | 0.0° |
| C67 | C72 | C71 | C70 | 0.7° | 0.1° |
| C72 | C67 | C68 | H44 | 179.7° | 180.0° |
| C67 | C72 | C71 | H46 | 179.3° | 179.9° |
| C58 | C60 | C65 | C64 | 177.3° | 179.8° |
| C60 | C58 | N59 | N55 | 178.2° | 180.0° |
| C58 | C60 | C61 | H40 | 1.1° | 0.0° |
| C58 | C60 | C65 | H43 | 2.7° | 0.1° |
| C65 | C60 | C58 | N59 | 77.9° | 35.1° |
| C60 | C65 | C64 | H43 | 180.0° | 179.7° |
| C65 | C60 | C61 | H40 | 179.2° | 179.7° |
| C60 | C65 | C64 | H42 | 179.3° | 179.7° |
| N78 | C56 | N55 | N59 | 179.9° | 179.8° |
| N78 | C56 | N55 | C52 | 1.2° | 0.3° |
| C56 | N78 | H63 | H64 | 120.0° | 180.0° |
| F73 | C72 | C71 | C70 | 179.9° | 180.0° |
| F73 | C72 | C71 | H46 | 0.1° | 0.0° |
| C58 | N59 | N55 | C56 | 0.2° | 0.1° |
| C58 | N59 | N55 | C52 | 179.2° | 180.0° |
| C68 | C69 | C70 | H45 | 180.0° | 180.0° |
| C68 | C69 | C70 | C71 | 1.2° | 0.0° |
| C68 | C69 | C70 | F74 | 175.1° | 179.9° |
| C56 | N55 | N59 | C52 | 179.0° | 180.0° |
| C56 | N55 | C52 | C51 | 135.9° | 120.0° |
| C56 | N55 | C52 | C54 | 100.3° | 120.1° |
| C56 | N55 | C52 | H37 | 17.7° | 0.0° |
| N55 | C56 | N78 | H63 | 0.2° | 0.0° |
| N55 | C56 | N78 | H64 | 119.9° | 180.0° |
| C72 | C71 | C70 | C69 | 1.4° | 0.1° |
| C72 | C71 | C70 | H46 | 180.0° | 179.9° |
| C72 | C71 | C70 | F74 | 174.9° | 180.0° |
| C69 | C70 | C71 | F74 | 176.3° | 179.9° |
| C70 | C69 | C68 | H44 | 179.7° | 179.9° |
| C69 | C70 | C71 | H46 | 178.6° | 180.0° |
| N59 | N55 | C52 | C51 | 45.3° | 60.1° |
| N59 | N55 | C52 | C54 | 78.5° | 59.8° |
| N59 | N55 | C52 | H37 | 163.5° | 179.9° |
| N55 | C52 | C51 | C54 | 123.0° | 120.0° |
| N55 | C52 | C51 | H37 | 118.6° | 120.0° |
| N55 | C52 | C51 | C50 | 119.1° | 178.6° |
| N55 | C52 | C54 | H37 | 118.3° | 120.1° |
| N55 | C52 | C54 | N48 | 176.0° | 174.6° |
| N55 | C52 | C51 | H35 | 1.2° | 58.6° |
| N55 | C52 | C51 | H36 | 120.5° | 61.3° |
| N55 | C52 | C54 | H38 | 64.1° | 65.6° |
| N55 | C52 | C54 | H39 | 56.0° | 54.8° |
| C71 | C70 | C69 | H45 | 178.8° | 180.0° |
| F74 | C70 | C69 | H45 | 4.9° | 0.1° |
| F74 | C70 | C71 | H46 | 5.1° | 0.1° |
| C52 | C51 | C50 | H35 | 120.3° | 120.0° |
| C52 | C51 | C50 | H36 | 120.3° | 120.0° |
| C51 | C52 | C54 | H37 | 118.2° | 119.9° |
| C52 | C51 | C50 | C49 | 52.3° | 61.3° |
| C51 | C52 | C54 | N48 | 52.5° | 54.6° |
| C52 | C51 | C50 | H33 | 68.1° | 58.6° |
| C52 | C51 | C50 | H34 | 172.7° | 178.7° |
| C52 | C51 | H35 | H36 | 118.8° | 119.9° |
| C51 | C52 | C54 | H38 | 172.5° | 174.4° |
| C51 | C52 | C54 | H39 | 67.4° | 65.2° |
| C50 | C51 | C52 | C54 | 3.9° | 61.3° |
| C51 | C50 | C49 | H33 | 120.4° | 119.9° |
| C51 | C50 | C49 | H34 | 120.4° | 120.0° |
| C51 | C50 | C49 | N48 | 43.5° | 54.6° |
| C51 | C50 | C49 | H31 | 163.9° | 65.2° |
| C51 | C50 | C49 | H32 | 76.8° | 174.5° |
| C51 | C50 | H33 | H34 | 118.9° | 120.2° |
| C50 | C51 | H35 | H36 | 118.9° | 119.9° |
| C50 | C51 | C52 | H37 | 122.2° | 58.6° |
| C52 | C54 | N48 | H38 | 120.0° | 119.8° |
| C52 | C54 | N48 | H39 | 120.0° | 119.7° |
| C52 | C54 | N48 | C49 | 63.7° | 53.6° |
| C52 | C54 | N48 | C46 | 111.9° | 126.4° |
| C54 | C52 | C51 | H35 | 124.3° | 178.6° |
| C54 | C52 | C51 | H36 | 116.5° | 58.7° |
| C52 | C54 | H38 | H39 | 120.2° | 120.3° |
| O36 | C37 | C38 | H3 | 120.6° | 120.0° |
| O36 | C37 | C38 | H4 | 120.6° | 120.0° |
| O36 | C37 | C38 | N43 | 154.3° | 179.7° |
| O36 | C37 | C38 | C39 | 20.5° | 0.0° |
| C37 | O36 | C15 | C16 | 173.6° | 0.0° |
| C37 | O36 | C15 | C14 | 5.7° | 179.9° |
| O36 | C37 | H3 | H4 | 118.2° | 120.0° |
| C38 | C37 | O36 | C15 | 72.6° | 180.0° |
| C37 | C38 | N43 | C39 | 175.1° | 179.7° |
| C37 | C38 | N43 | C42 | 172.5° | 180.0° |
| C37 | C38 | C39 | N40 | 171.5° | 180.0° |
| C38 | C37 | H3 | H4 | 118.1° | 120.0° |
| C37 | C38 | C39 | H27 | 8.5° | 0.0° |
| O36 | C15 | C16 | C14 | 179.3° | 179.9° |
| O36 | C15 | C16 | C17 | 179.5° | 179.9° |
| O36 | C15 | C14 | C13 | 179.2° | 180.0° |
| C15 | O36 | C37 | H3 | 166.7° | 60.0° |
| C15 | O36 | C37 | H4 | 48.0° | 59.9° |
| O36 | C15 | C16 | H9 | 0.5° | 0.1° |
| O36 | C15 | C14 | H17 | 0.8° | 0.1° |
| C50 | C49 | N48 | C54 | 13.9° | 53.6° |
| C50 | C49 | N48 | H31 | 120.4° | 119.8° |
| C50 | C49 | N48 | H32 | 120.4° | 119.9° |
| C50 | C49 | N48 | C46 | 161.5° | 126.4° |
| C50 | C49 | H31 | H32 | 118.8° | 120.4° |
| C49 | C50 | H33 | H34 | 118.9° | 120.0° |
| C49 | C50 | C51 | H35 | 172.6° | 178.6° |
| C49 | C50 | C51 | H36 | 68.1° | 58.7° |
| C38 | N43 | C42 | C41 | 0.2° | 0.0° |
| N43 | C38 | C39 | N40 | 3.0° | 0.3° |
| N43 | C38 | C37 | H3 | 85.1° | 60.3° |
| N43 | C38 | C37 | H4 | 33.7° | 59.7° |
| N43 | C38 | C39 | H27 | 177.0° | 179.8° |
| C38 | N43 | C42 | H28 | 179.8° | 179.7° |
| C42 | N43 | C38 | C39 | 2.6° | 0.3° |
| N43 | C42 | C41 | H28 | 180.0° | 179.7° |
| N43 | C42 | C41 | N40 | 2.0° | 0.3° |
| N43 | C42 | C41 | C44 | 175.3° | 180.0° |
| C38 | C39 | N40 | H27 | 180.0° | 179.9° |
| C38 | C39 | N40 | C41 | 0.8° | 0.0° |
| C39 | C38 | C37 | H3 | 100.1° | 120.0° |
| C39 | C38 | C37 | H4 | 141.1° | 120.0° |
| C54 | N48 | C49 | C46 | 175.5° | 180.0° |
| C54 | N48 | C46 | O47 | 4.3° | 0.1° |
| C54 | N48 | C46 | O45 | 179.4° | 180.0° |
| C54 | N48 | C49 | H31 | 106.4° | 66.2° |
| C54 | N48 | C49 | H32 | 134.3° | 173.5° |
| N48 | C54 | C52 | H37 | 65.7° | 65.3° |
| N48 | C54 | H38 | H39 | 120.1° | 120.4° |
| C42 | C41 | N40 | C39 | 1.7° | 0.3° |
| C42 | C41 | N40 | C44 | 177.6° | 179.7° |
| C42 | C41 | C44 | O45 | 27.1° | 0.3° |
| C42 | C41 | C44 | H29 | 93.1° | 120.3° |
| C42 | C41 | C44 | H30 | 147.3° | 119.6° |
| C15 | C16 | C17 | H9 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 1.6° | 0.1° |
| C15 | C16 | C17 | C18 | 0.9° | 0.1° |
| C16 | C15 | C14 | H17 | 178.4° | 180.0° |
| C15 | C16 | C17 | H18 | 179.1° | 180.0° |
| C14 | C15 | C16 | C17 | 0.2° | 0.2° |
| C15 | C14 | C13 | H17 | 180.0° | 179.9° |
| C15 | C14 | C13 | C18 | 1.9° | 0.3° |
| C15 | C14 | C13 | C12 | 174.6° | 179.4° |
| C14 | C15 | C16 | H9 | 179.8° | 179.9° |
| C49 | N48 | C46 | O47 | 170.8° | 179.9° |
| C49 | N48 | C46 | O45 | 5.5° | 0.0° |
| N48 | C49 | H31 | H32 | 118.9° | 120.3° |
| N48 | C49 | C50 | H33 | 76.8° | 65.3° |
| N48 | C49 | C50 | H34 | 163.9° | 174.6° |
| C49 | N48 | C54 | H38 | 176.3° | 173.4° |
| C49 | N48 | C54 | H39 | 56.3° | 66.1° |
| N48 | C46 | O47 | O45 | 175.9° | 179.9° |
| N48 | C46 | O45 | C44 | 170.6° | 180.0° |
| C46 | N48 | C49 | H31 | 78.1° | 113.9° |
| C46 | N48 | C49 | H32 | 41.2° | 6.5° |
| C46 | N48 | C54 | H38 | 8.1° | 6.6° |
| C46 | N48 | C54 | H39 | 128.1° | 113.9° |
| C39 | N40 | C41 | C44 | 175.9° | 179.9° |
| C16 | C17 | C18 | H18 | 180.0° | 180.0° |
| C16 | C17 | C18 | C13 | 0.6° | 0.2° |
| C16 | C17 | C18 | C19 | 177.1° | 179.5° |
| C14 | C13 | C18 | C17 | 0.8° | 0.4° |
| C14 | C13 | C18 | C12 | 176.6° | 179.7° |
| C14 | C13 | C18 | C19 | 178.6° | 179.3° |
| C14 | C13 | C12 | N11 | 139.4° | 169.2° |
| C14 | C13 | C12 | H15 | 18.9° | 49.1° |
| C14 | C13 | C12 | H16 | 100.2° | 70.8° |
| O47 | C46 | O45 | C44 | 5.7° | 0.0° |
| C46 | O45 | C44 | C41 | 87.6° | 180.0° |
| C46 | O45 | C44 | H29 | 152.2° | 60.0° |
| C46 | O45 | C44 | H30 | 32.6° | 60.0° |
| N40 | C41 | C44 | O45 | 155.4° | 180.0° |
| C41 | N40 | C39 | H27 | 179.2° | 180.0° |
| N40 | C41 | C42 | H28 | 178.0° | 180.0° |
| N40 | C41 | C44 | H29 | 84.4° | 60.0° |
| N40 | C41 | C44 | H30 | 35.2° | 60.0° |
| C41 | C44 | O45 | H29 | 120.2° | 120.0° |
| C41 | C44 | O45 | H30 | 120.2° | 120.0° |
| C44 | C41 | C42 | H28 | 4.7° | 0.3° |
| C41 | C44 | H29 | H30 | 119.4° | 120.1° |
| C17 | C18 | C13 | C19 | 177.8° | 179.8° |
| C17 | C18 | C13 | C12 | 175.8° | 179.3° |
| C17 | C18 | C19 | C20 | 131.6° | 160.3° |
| C18 | C17 | C16 | H9 | 179.1° | 180.0° |
| C17 | C18 | C19 | H10 | 108.3° | 79.3° |
| C17 | C18 | C19 | H11 | 11.5° | 40.0° |
| O45 | C44 | H29 | H30 | 119.3° | 120.0° |
| C18 | C13 | C12 | N11 | 37.1° | 11.2° |
| C13 | C18 | C19 | C20 | 46.2° | 20.0° |
| C13 | C18 | C19 | H10 | 74.0° | 100.5° |
| C13 | C18 | C19 | H11 | 166.3° | 140.2° |
| C18 | C13 | C12 | H15 | 157.5° | 131.3° |
| C18 | C13 | C12 | H16 | 83.3° | 108.9° |
| C18 | C13 | C14 | H17 | 178.1° | 179.7° |
| C13 | C18 | C17 | H18 | 179.4° | 179.7° |
| C12 | C13 | C18 | C19 | 2.1° | 1.0° |
| C13 | C12 | N11 | H15 | 120.4° | 120.1° |
| C13 | C12 | N11 | H16 | 120.4° | 120.0° |
| C13 | C12 | N11 | C20 | 31.3° | 44.3° |
| C13 | C12 | N11 | C9 | 144.1° | 135.7° |
| C13 | C12 | H15 | H16 | 118.8° | 119.9° |
| C12 | C13 | C14 | H17 | 5.4° | 0.7° |
| C18 | C19 | C20 | H10 | 120.1° | 120.4° |
| C18 | C19 | C20 | H11 | 120.1° | 120.3° |
| C18 | C19 | C20 | N11 | 49.9° | 47.5° |
| C18 | C19 | C20 | C22 | 78.4° | 167.1° |
| C18 | C19 | C20 | H8 | 166.6° | 72.1° |
| C18 | C19 | H10 | H11 | 119.6° | 119.3° |
| C19 | C18 | C17 | H18 | 2.9° | 0.5° |
| C12 | N11 | C20 | C19 | 11.6° | 64.4° |
| C12 | N11 | C20 | C9 | 175.7° | 180.0° |
| C12 | N11 | C20 | C22 | 114.3° | 176.1° |
| C12 | N11 | C9 | C7 | 8.3° | 163.2° |
| C12 | N11 | C9 | O10 | 176.0° | 16.8° |
| C12 | N11 | C20 | H8 | 127.9° | 55.3° |
| N11 | C12 | H15 | H16 | 118.8° | 119.9° |
| C19 | C20 | N11 | C22 | 125.8° | 119.6° |
| C19 | C20 | N11 | H8 | 116.3° | 119.6° |
| C19 | C20 | N11 | C9 | 172.7° | 115.7° |
| C19 | C20 | C22 | H8 | 114.9° | 120.8° |
| C19 | C20 | C22 | O23 | 91.5° | 179.4° |
| C19 | C20 | C22 | N24 | 88.5° | 0.6° |
| C20 | C19 | H10 | H11 | 119.6° | 119.3° |
| C80 | C79 | C81 | C7 | 121.2° | 120.0° |
| C80 | C79 | C81 | C82 | 116.7° | 120.0° |
| C80 | C79 | C7 | C82 | 120.8° | 120.0° |
| C80 | C79 | C7 | C9 | 67.0° | 151.8° |
| C80 | C79 | C7 | N6 | 170.2° | 88.2° |
| C80 | C79 | C7 | H7 | 51.8° | 31.8° |
| C79 | C80 | H47 | H48 | 120.0° | 120.0° |
| C79 | C80 | H47 | H49 | 120.0° | 120.0° |
| C79 | C80 | H48 | H49 | 120.0° | 120.0° |
| C80 | C79 | C81 | H50 | 180.0° | 180.0° |
| C80 | C79 | C81 | H51 | 60.0° | 60.0° |
| C80 | C79 | C81 | H52 | 60.0° | 60.0° |
| C80 | C79 | C82 | H53 | 180.0° | 13.4° |
| C80 | C79 | C82 | H54 | 60.0° | 106.6° |
| C80 | C79 | C82 | H55 | 60.0° | 133.4° |
| N11 | C20 | C22 | H8 | 118.2° | 120.8° |
| C20 | N11 | C9 | C7 | 167.3° | 16.8° |
| N11 | C20 | C22 | O23 | 35.4° | 61.0° |
| C20 | N11 | C9 | O10 | 8.4° | 163.2° |
| N11 | C20 | C22 | N24 | 144.6° | 119.0° |
| N11 | C20 | C19 | H10 | 70.2° | 72.9° |
| N11 | C20 | C19 | H11 | 170.1° | 167.8° |
| C20 | N11 | C12 | H15 | 151.7° | 164.4° |
| C20 | N11 | C12 | H16 | 89.1° | 75.7° |
| C9 | N11 | C20 | C22 | 61.5° | 3.9° |
| N11 | C9 | C7 | C79 | 93.7° | 114.3° |
| N11 | C9 | C7 | O10 | 175.8° | 180.0° |
| N11 | C9 | C7 | N6 | 141.0° | 125.7° |
| N11 | C9 | C7 | H7 | 25.0° | 5.7° |
| C9 | N11 | C20 | H8 | 56.4° | 124.7° |
| C9 | N11 | C12 | H15 | 23.7° | 15.6° |
| C9 | N11 | C12 | H16 | 95.5° | 104.3° |
| O5 | C4 | N6 | C7 | 9.5° | 0.0° |
| O5 | C4 | N6 | C2 | 177.4° | 180.0° |
| O5 | C4 | C2 | N83 | 17.2° | 0.0° |
| O5 | C4 | C2 | C1 | 103.6° | 120.0° |
| O5 | C4 | C2 | H19 | 137.4° | 120.0° |
| O5 | C4 | N6 | H60 | 170.5° | 180.0° |
| C20 | C22 | O23 | N24 | 180.0° | 179.9° |
| C20 | C22 | N24 | C25 | 175.9° | 170.3° |
| C22 | C20 | C19 | H10 | 161.5° | 46.7° |
| C22 | C20 | C19 | H11 | 41.8° | 72.6° |
| C20 | C22 | N24 | H59 | 4.1° | 9.7° |
| C81 | C79 | C7 | C82 | 120.0° | 120.0° |
| C81 | C79 | C7 | C9 | 173.7° | 88.3° |
| C81 | C79 | C7 | N6 | 51.0° | 31.8° |
| C81 | C79 | C7 | H7 | 67.4° | 151.8° |
| C81 | C79 | C80 | H47 | 180.0° | 57.1° |
| C81 | C79 | C80 | H48 | 60.0° | 62.9° |
| C81 | C79 | C80 | H49 | 60.0° | 177.1° |
| C79 | C81 | H50 | H51 | 120.0° | 120.0° |
| C79 | C81 | H50 | H52 | 120.0° | 120.1° |
| C79 | C81 | H51 | H52 | 120.0° | 120.0° |
| C81 | C79 | C82 | H53 | 63.7° | 133.4° |
| C81 | C79 | C82 | H54 | 176.3° | 13.4° |
| C81 | C79 | C82 | H55 | 56.3° | 106.7° |
| C79 | C7 | C9 | N6 | 125.3° | 120.0° |
| C79 | C7 | C9 | H7 | 118.7° | 120.0° |
| C79 | C7 | N6 | H7 | 117.7° | 120.0° |
| C79 | C7 | C9 | O10 | 82.1° | 65.7° |
| C79 | C7 | N6 | C4 | 104.1° | 85.0° |
| C7 | C79 | C80 | H47 | 59.1° | 62.8° |
| C7 | C79 | C80 | H48 | 60.9° | 177.2° |
| C7 | C79 | C80 | H49 | 179.1° | 57.1° |
| C7 | C79 | C81 | H50 | 58.8° | 60.1° |
| C7 | C79 | C81 | H51 | 178.8° | 180.0° |
| C7 | C79 | C81 | H52 | 61.2° | 60.0° |
| C7 | C79 | C82 | H53 | 57.7° | 106.6° |
| C7 | C79 | C82 | H54 | 62.3° | 133.4° |
| C7 | C79 | C82 | H55 | 177.7° | 13.3° |
| C79 | C7 | N6 | H60 | 75.9° | 95.0° |
| C9 | C7 | N6 | H7 | 115.3° | 120.0° |
| C9 | C7 | C79 | C82 | 53.7° | 31.7° |
| C9 | C7 | N6 | C4 | 128.8° | 155.0° |
| C9 | C7 | N6 | H60 | 51.1° | 25.0° |
| N6 | C7 | C79 | C82 | 69.0° | 151.8° |
| N6 | C7 | C9 | O10 | 43.3° | 54.3° |
| C7 | N6 | C4 | H60 | 180.0° | 180.0° |
| C7 | N6 | C4 | C2 | 167.9° | 180.0° |
| C82 | C79 | C7 | H7 | 172.6° | 88.2° |
| C82 | C79 | C80 | H47 | 63.6° | 177.1° |
| C82 | C79 | C80 | H48 | 176.4° | 57.1° |
| C82 | C79 | C80 | H49 | 56.5° | 62.9° |
| C82 | C79 | C81 | H50 | 63.3° | 60.0° |
| C82 | C79 | C81 | H51 | 56.7° | 60.0° |
| C82 | C79 | C81 | H52 | 176.7° | 180.0° |
| C79 | C82 | H53 | H54 | 120.0° | 120.1° |
| C79 | C82 | H53 | H55 | 120.0° | 120.0° |
| C79 | C82 | H54 | H55 | 120.0° | 120.0° |
| O23 | C22 | N24 | C25 | 4.1° | 9.7° |
| O23 | C22 | C20 | H8 | 153.6° | 59.8° |
| O23 | C22 | N24 | H59 | 175.9° | 170.4° |
| O10 | C9 | C7 | H7 | 159.2° | 174.3° |
| C22 | N24 | C25 | C27 | 75.3° | 155.7° |
| C22 | N24 | C25 | H59 | 180.0° | 179.9° |
| C22 | N24 | C25 | C31 | 158.3° | 83.2° |
| N24 | C22 | C20 | H8 | 26.4° | 120.2° |
| C22 | N24 | C25 | H20 | 40.9° | 36.2° |
| N6 | C4 | C2 | N83 | 160.2° | 180.0° |
| N6 | C4 | C2 | C1 | 78.9° | 60.0° |
| C4 | N6 | C7 | H7 | 13.6° | 35.0° |
| N6 | C4 | C2 | H19 | 40.1° | 60.0° |
| C4 | C2 | N83 | C84 | 89.7° | 155.0° |
| C4 | C2 | N83 | C1 | 121.4° | 120.0° |
| C4 | C2 | N83 | H19 | 119.6° | 120.1° |
| C4 | C2 | C1 | H19 | 119.0° | 120.0° |
| C4 | C2 | C1 | H12 | 180.0° | 60.0° |
| C4 | C2 | C1 | H13 | 60.0° | 180.0° |
| C4 | C2 | C1 | H14 | 60.0° | 60.0° |
| C2 | C4 | N6 | H60 | 12.1° | 0.0° |
| C4 | C2 | N83 | H65 | 149.4° | 81.0° |
| C28 | C27 | C25 | H21 | 120.4° | 119.7° |
| C28 | C27 | C25 | H22 | 120.3° | 119.7° |
| C28 | C27 | C25 | N24 | 152.3° | 171.2° |
| C27 | C28 | C29 | H23 | 120.2° | 119.7° |
| C27 | C28 | C29 | H24 | 120.2° | 119.7° |
| C28 | C27 | C25 | C31 | 30.6° | 51.0° |
| C27 | C28 | C29 | C30 | 54.6° | 51.1° |
| C28 | C27 | C25 | H20 | 90.9° | 69.2° |
| C28 | C27 | H21 | H22 | 119.0° | 120.5° |
| C27 | C28 | H23 | H24 | 119.4° | 120.5° |
| C27 | C28 | C29 | H25 | 65.8° | 69.2° |
| C27 | C28 | C29 | H26 | 174.9° | 171.4° |
| C27 | C25 | N24 | C31 | 126.4° | 121.1° |
| C27 | C25 | N24 | H20 | 116.2° | 119.5° |
| C25 | C27 | C28 | C29 | 58.0° | 69.9° |
| C27 | C25 | C31 | H20 | 121.5° | 120.3° |
| C27 | C25 | C31 | C30 | 0.3° | 17.5° |
| C27 | C25 | C31 | C32 | 177.1° | 162.5° |
| C25 | C27 | H21 | H22 | 119.0° | 120.6° |
| C25 | C27 | C28 | H23 | 178.2° | 170.3° |
| C25 | C27 | C28 | H24 | 62.2° | 49.8° |
| C27 | C25 | N24 | H59 | 104.6° | 24.2° |
| C84 | N83 | C2 | H65 | 120.8° | 124.0° |
| C84 | N83 | C2 | C1 | 148.9° | 85.0° |
| C84 | N83 | C2 | H19 | 29.9° | 35.0° |
| N83 | C84 | H56 | H57 | 120.0° | 120.0° |
| N83 | C84 | H56 | H58 | 120.0° | 120.0° |
| N83 | C84 | H57 | H58 | 120.0° | 120.0° |
| N24 | C25 | C31 | H20 | 117.9° | 119.5° |
| N24 | C25 | C31 | C30 | 120.9° | 137.7° |
| N24 | C25 | C31 | C32 | 56.5° | 42.3° |
| N24 | C25 | C27 | H21 | 87.3° | 51.5° |
| N24 | C25 | C27 | H22 | 32.0° | 69.0° |
| N83 | C2 | C1 | H19 | 119.4° | 120.0° |
| N83 | C2 | C1 | H12 | 58.4° | 180.0° |
| N83 | C2 | C1 | H13 | 61.6° | 60.0° |
| N83 | C2 | C1 | H14 | 178.4° | 60.0° |
| C2 | N83 | C84 | H56 | 180.0° | 180.0° |
| C2 | N83 | C84 | H57 | 60.0° | 60.0° |
| C2 | N83 | C84 | H58 | 60.0° | 60.0° |
| C28 | C29 | C30 | H25 | 120.3° | 120.3° |
| C28 | C29 | C30 | H26 | 120.3° | 120.2° |
| C28 | C29 | C30 | C31 | 24.3° | 17.6° |
| C28 | C29 | C30 | C35 | 156.1° | 162.4° |
| C29 | C28 | C27 | H21 | 178.3° | 49.8° |
| C29 | C28 | C27 | H22 | 62.3° | 170.4° |
| C29 | C28 | H23 | H24 | 119.4° | 120.5° |
| C28 | C29 | H25 | H26 | 118.9° | 119.4° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H14 | 120.0° | 120.0° |
| C2 | C1 | H13 | H14 | 120.0° | 120.0° |
| C1 | C2 | N83 | H65 | 28.0° | 39.0° |
| C25 | C31 | C30 | C29 | 3.0° | 0.4° |
| C25 | C31 | C30 | C32 | 177.4° | 180.0° |
| C25 | C31 | C30 | C35 | 176.6° | 179.7° |
| C25 | C31 | C32 | C33 | 176.3° | 179.9° |
| C25 | C31 | C32 | H6 | 3.7° | 0.5° |
| C31 | C25 | C27 | H21 | 151.0° | 68.7° |
| C31 | C25 | C27 | H22 | 89.7° | 170.7° |
| C31 | C25 | N24 | H59 | 21.7° | 96.9° |
| C29 | C30 | C31 | C35 | 179.6° | 179.9° |
| C29 | C30 | C31 | C32 | 179.6° | 179.7° |
| C29 | C30 | C35 | C34 | 179.4° | 179.8° |
| C29 | C30 | C35 | H1 | 0.6° | 0.5° |
| C30 | C29 | C28 | H23 | 174.8° | 170.9° |
| C30 | C29 | C28 | H24 | 65.6° | 68.6° |
| C30 | C29 | H25 | H26 | 119.0° | 119.4° |
| C30 | C31 | C32 | C33 | 1.1° | 0.1° |
| C31 | C30 | C35 | C34 | 0.2° | 0.2° |
| C31 | C30 | C35 | H1 | 179.8° | 179.6° |
| C30 | C31 | C32 | H6 | 178.9° | 179.5° |
| C30 | C31 | C25 | H20 | 121.2° | 102.8° |
| C31 | C30 | C29 | H25 | 96.0° | 102.7° |
| C31 | C30 | C29 | H26 | 144.6° | 137.9° |
| C32 | C31 | C30 | C35 | 0.8° | 0.3° |
| C31 | C32 | C33 | H6 | 180.0° | 179.4° |
| C31 | C32 | C33 | C34 | 0.4° | 0.6° |
| C31 | C32 | C33 | H2 | 179.6° | 180.0° |
| C32 | C31 | C25 | H20 | 61.4° | 77.2° |
| C30 | C35 | C34 | H1 | 180.0° | 179.7° |
| C30 | C35 | C34 | C33 | 0.9° | 0.3° |
| C30 | C35 | C34 | H5 | 179.1° | 179.8° |
| C35 | C30 | C29 | H25 | 83.6° | 77.2° |
| C35 | C30 | C29 | H26 | 35.8° | 42.2° |
| C32 | C33 | C34 | C35 | 0.6° | 0.7° |
| C32 | C33 | C34 | H2 | 180.0° | 179.4° |
| C32 | C33 | C34 | H5 | 179.4° | 179.4° |
| C35 | C34 | C33 | H5 | 180.0° | 179.9° |
| C35 | C34 | C33 | H2 | 179.4° | 179.9° |
| C33 | C34 | C35 | H1 | 179.1° | 179.9° |
| C34 | C33 | C32 | H6 | 179.6° | 180.0° |
| H1 | C35 | C34 | H5 | 0.9° | 0.0° |
| H2 | C33 | C34 | H5 | 0.6° | 0.0° |
| H2 | C33 | C32 | H6 | 0.4° | 0.6° |
| H7 | C7 | N6 | H60 | 166.4° | 145.0° |
| H8 | C20 | C19 | H10 | 46.5° | 167.5° |
| H8 | C20 | C19 | H11 | 73.2° | 48.2° |
| H9 | C16 | C17 | H18 | 0.9° | 0.1° |
| H12 | C1 | H13 | H14 | 120.0° | 119.9° |
| H12 | C1 | C2 | H19 | 61.0° | 60.0° |
| H13 | C1 | C2 | H19 | 179.0° | 60.0° |
| H14 | C1 | C2 | H19 | 59.0° | 180.0° |
| H19 | C2 | N83 | H65 | 90.9° | 158.9° |
| H20 | C25 | C27 | H21 | 29.5° | 171.1° |
| H20 | C25 | C27 | H22 | 148.8° | 50.5° |
| H20 | C25 | N24 | H59 | 139.1° | 143.7° |
| H21 | C27 | C28 | H23 | 61.5° | 69.9° |
| H21 | C27 | C28 | H24 | 58.1° | 169.5° |
| H22 | C27 | C28 | H23 | 57.9° | 50.6° |
| H22 | C27 | C28 | H24 | 177.4° | 69.9° |
| H23 | C28 | C29 | H25 | 54.5° | 50.6° |
| H23 | C28 | C29 | H26 | 64.9° | 68.9° |
| H24 | C28 | C29 | H25 | 174.1° | 171.1° |
| H24 | C28 | C29 | H26 | 54.7° | 51.6° |
| H31 | C49 | C50 | H33 | 43.6° | 175.0° |
| H31 | C49 | C50 | H34 | 75.7° | 54.9° |
| H32 | C49 | C50 | H33 | 162.8° | 54.6° |
| H32 | C49 | C50 | H34 | 43.5° | 65.5° |
| H33 | C50 | C51 | H35 | 52.3° | 61.5° |
| H33 | C50 | C51 | H36 | 171.6° | 178.6° |
| H34 | C50 | C51 | H35 | 67.0° | 58.7° |
| H34 | C50 | C51 | H36 | 52.3° | 61.3° |
| H35 | C51 | C52 | H37 | 117.4° | 61.4° |
| H36 | C51 | C52 | H37 | 1.9° | 178.6° |
| H37 | C52 | C54 | H38 | 54.3° | 54.5° |
| H37 | C52 | C54 | H39 | 174.3° | 174.9° |
| H40 | C61 | C62 | H41 | 2.5° | 0.0° |
| H42 | C64 | C65 | H43 | 0.7° | 0.0° |
| H44 | C68 | C69 | H45 | 0.3° | 0.0° |
| H47 | C80 | H48 | H49 | 120.0° | 120.0° |
| H50 | C81 | H51 | H52 | 120.0° | 120.0° |
| H53 | C82 | H54 | H55 | 120.0° | 119.9° |
| H56 | C84 | H57 | H58 | 120.0° | 120.0° |
| H56 | C84 | N83 | H65 | 59.2° | 56.0° |
| H57 | C84 | N83 | H65 | 60.9° | 64.0° |
| H58 | C84 | N83 | H65 | 179.2° | 176.0° |
