EK8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C83 | C84 | sing | 1.53Å | 1.51Å | |
| C83 | C82 | sing | 1.53Å | 1.61Å | |
| C84 | N89 | sing | 1.47Å | 1.48Å | |
| C82 | C81 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.53Å | 1.50Å | |
| N89 | C98 | sing | 1.39Å | 1.41Å | |
| N89 | C80 | sing | 1.47Å | 1.55Å | |
| C98 | C99 | doub | 1.39Å | 1.49Å | Aromatic |
| C98 | C19 | sing | 1.39Å | 1.49Å | Aromatic |
| C81 | C80 | sing | 1.53Å | 1.57Å | |
| C99 | C22 | sing | 1.38Å | 1.46Å | Aromatic |
| C19 | C17 | doub | 1.38Å | 1.47Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.49Å | |
| C22 | C87 | doub | 1.40Å | 1.47Å | Aromatic |
| C17 | C87 | sing | 1.40Å | 1.48Å | Aromatic |
| C87 | C97 | sing | 1.48Å | 1.41Å | |
| O99 | C97 | doub | 1.22Å | 1.26Å | |
| C12 | O3 | sing | 1.43Å | 1.43Å | |
| C97 | N99 | sing | 1.35Å | 1.41Å | |
| O3 | C9 | sing | 1.36Å | 1.41Å | |
| N99 | C15 | sing | 1.46Å | 1.46Å | |
| C15 | C8 | sing | 1.51Å | 1.47Å | |
| C9 | C8 | doub | 1.39Å | 1.48Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.49Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.48Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.46Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.48Å | Aromatic |
| C11 | C6 | sing | 1.38Å | 1.47Å | Aromatic |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C2 | sing | 1.53Å | 1.56Å | |
| C3 | C2 | sing | 1.53Å | 1.57Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C2 | C1 | sing | 1.51Å | 1.47Å | |
| C55 | C4 | doub | 1.38Å | 1.46Å | Aromatic |
| C55 | C54 | sing | 1.38Å | 1.46Å | Aromatic |
| C4 | C51 | sing | 1.38Å | 1.44Å | Aromatic |
| C54 | C53 | doub | 1.38Å | 1.47Å | Aromatic |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | O2 | sing | 1.34Å | 1.37Å | |
| C51 | C52 | doub | 1.38Å | 1.44Å | Aromatic |
| C53 | C52 | sing | 1.38Å | 1.44Å | Aromatic |
| C80 | H1 | sing | 1.09Å | 1.10Å | |
| C80 | H2 | sing | 1.09Å | 1.10Å | |
| C81 | H3 | sing | 1.09Å | 1.10Å | |
| C81 | H4 | sing | 1.09Å | 1.10Å | |
| C82 | H5 | sing | 1.09Å | 1.10Å | |
| C82 | H6 | sing | 1.09Å | 1.10Å | |
| C83 | H7 | sing | 1.09Å | 1.10Å | |
| C83 | H8 | sing | 1.09Å | 1.10Å | |
| C84 | H9 | sing | 1.09Å | 1.10Å | |
| C84 | H10 | sing | 1.09Å | 1.10Å | |
| C99 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| N99 | H15 | sing | 0.97Å | 1.00Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C10 | H25 | sing | 1.08Å | 1.08Å | |
| C11 | H26 | sing | 1.08Å | 1.08Å | |
| C5 | H27 | sing | 1.09Å | 1.10Å | |
| C5 | H28 | sing | 1.09Å | 1.10Å | |
| C2 | H29 | sing | 1.09Å | 1.10Å | |
| C3 | H30 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C51 | H32 | sing | 1.08Å | 1.08Å | |
| C52 | H33 | sing | 1.08Å | 1.08Å | |
| C53 | H34 | sing | 1.08Å | 1.08Å | |
| C54 | H35 | sing | 1.08Å | 1.08Å | |
| C55 | H36 | sing | 1.08Å | 1.08Å | |
| C7 | H37 | sing | 1.08Å | 1.08Å | |
| O2 | H38 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C84 | C83 | C82 | 111.0° | 109.3° |
| C83 | C84 | N89 | 105.4° | 109.6° |
| C84 | C83 | H7 | 109.1° | 109.5° |
| C84 | C83 | H8 | 109.1° | 109.5° |
| C83 | C84 | H9 | 110.5° | 109.5° |
| C83 | C84 | H10 | 110.5° | 109.5° |
| C83 | C82 | C81 | 111.9° | 109.2° |
| C83 | C82 | H5 | 108.9° | 109.5° |
| C83 | C82 | H6 | 108.8° | 109.5° |
| C82 | C83 | H7 | 109.1° | 109.5° |
| C82 | C83 | H8 | 109.1° | 109.5° |
| C84 | N89 | C98 | 121.7° | 111.0° |
| C84 | N89 | C80 | 114.5° | 111.2° |
| N89 | C84 | H9 | 110.5° | 109.4° |
| N89 | C84 | H10 | 110.5° | 109.4° |
| C82 | C81 | C80 | 108.8° | 109.3° |
| C82 | C81 | H3 | 109.6° | 109.5° |
| C82 | C81 | H4 | 109.6° | 109.5° |
| C81 | C82 | H5 | 108.8° | 109.5° |
| C81 | C82 | H6 | 108.9° | 109.5° |
| C14 | C13 | C12 | 108.7° | 109.5° |
| C14 | C13 | H20 | 109.7° | 109.4° |
| C14 | C13 | H21 | 109.7° | 109.5° |
| C13 | C14 | H22 | 109.5° | 109.5° |
| C13 | C14 | H23 | 109.5° | 109.5° |
| C13 | C14 | H24 | 109.5° | 109.5° |
| C98 | N89 | C80 | 123.7° | 111.0° |
| N89 | C98 | C99 | 119.6° | 120.0° |
| N89 | C98 | C19 | 122.2° | 119.9° |
| N89 | C80 | C81 | 104.0° | 109.6° |
| N89 | C80 | H1 | 110.8° | 109.4° |
| N89 | C80 | H2 | 110.8° | 109.5° |
| C99 | C98 | C19 | 118.2° | 120.1° |
| C98 | C99 | C22 | 120.6° | 120.1° |
| C98 | C99 | H11 | 119.7° | 120.0° |
| C98 | C19 | C17 | 120.9° | 120.1° |
| C98 | C19 | H12 | 119.5° | 119.9° |
| C81 | C80 | H1 | 110.8° | 109.5° |
| C81 | C80 | H2 | 110.8° | 109.5° |
| C80 | C81 | H3 | 109.6° | 109.5° |
| C80 | C81 | H4 | 109.7° | 109.5° |
| C99 | C22 | C87 | 121.0° | 119.9° |
| C22 | C99 | H11 | 119.7° | 119.9° |
| C99 | C22 | H14 | 119.5° | 120.1° |
| C19 | C17 | C87 | 120.4° | 119.9° |
| C17 | C19 | H12 | 119.5° | 119.9° |
| C19 | C17 | H13 | 119.9° | 120.0° |
| C13 | C12 | O3 | 109.2° | 109.5° |
| C13 | C12 | H18 | 109.6° | 109.5° |
| C13 | C12 | H19 | 109.6° | 109.5° |
| C12 | C13 | H20 | 109.7° | 109.4° |
| C12 | C13 | H21 | 109.7° | 109.5° |
| C22 | C87 | C17 | 118.9° | 119.9° |
| C22 | C87 | C97 | 120.6° | 120.1° |
| C87 | C22 | H14 | 119.5° | 120.1° |
| C17 | C87 | C97 | 120.4° | 120.1° |
| C87 | C17 | H13 | 119.8° | 120.1° |
| C87 | C97 | O99 | 122.1° | 120.0° |
| C87 | C97 | N99 | 112.8° | 120.0° |
| O99 | C97 | N99 | 125.1° | 120.0° |
| C12 | O3 | C9 | 114.0° | 117.0° |
| O3 | C12 | H18 | 109.6° | 109.4° |
| O3 | C12 | H19 | 109.6° | 109.5° |
| C97 | N99 | C15 | 122.8° | 120.0° |
| C97 | N99 | H15 | 118.6° | 120.0° |
| O3 | C9 | C8 | 119.6° | 120.1° |
| O3 | C9 | C10 | 121.8° | 120.0° |
| N99 | C15 | C8 | 110.9° | 109.5° |
| C15 | N99 | H15 | 118.6° | 120.0° |
| N99 | C15 | H16 | 109.1° | 109.4° |
| N99 | C15 | H17 | 109.1° | 109.5° |
| C15 | C8 | C9 | 121.2° | 120.1° |
| C15 | C8 | C7 | 119.1° | 120.0° |
| C8 | C15 | H16 | 109.1° | 109.5° |
| C8 | C15 | H17 | 109.1° | 109.5° |
| C8 | C9 | C10 | 118.7° | 119.9° |
| C9 | C8 | C7 | 119.7° | 120.0° |
| C9 | C10 | C11 | 121.7° | 119.9° |
| C9 | C10 | H25 | 119.1° | 120.0° |
| C8 | C7 | C6 | 120.8° | 120.0° |
| C8 | C7 | H37 | 119.6° | 120.0° |
| C10 | C11 | C6 | 119.5° | 120.1° |
| C11 | C10 | H25 | 119.2° | 120.1° |
| C10 | C11 | H26 | 120.2° | 120.0° |
| C7 | C6 | C11 | 119.6° | 120.1° |
| C7 | C6 | C5 | 118.7° | 119.9° |
| C6 | C7 | H37 | 119.6° | 120.0° |
| C11 | C6 | C5 | 121.6° | 120.0° |
| C6 | C11 | H26 | 120.2° | 120.0° |
| C6 | C5 | C2 | 115.9° | 109.4° |
| C6 | C5 | H27 | 107.8° | 109.5° |
| C6 | C5 | H28 | 107.8° | 109.4° |
| C5 | C2 | C3 | 110.8° | 109.5° |
| C5 | C2 | C1 | 102.2° | 109.5° |
| C2 | C5 | H27 | 107.8° | 109.5° |
| C2 | C5 | H28 | 107.9° | 109.5° |
| C5 | C2 | H29 | 108.5° | 109.5° |
| C2 | C3 | C4 | 116.3° | 109.5° |
| C3 | C2 | C1 | 117.0° | 109.5° |
| C3 | C2 | H29 | 108.3° | 109.5° |
| C2 | C3 | H30 | 107.7° | 109.5° |
| C2 | C3 | H31 | 107.7° | 109.5° |
| C3 | C4 | C55 | 120.0° | 120.0° |
| C3 | C4 | C51 | 121.3° | 120.0° |
| C4 | C3 | H30 | 107.7° | 109.5° |
| C4 | C3 | H31 | 107.7° | 109.5° |
| C2 | C1 | O1 | 124.5° | 120.0° |
| C2 | C1 | O2 | 117.7° | 120.0° |
| C1 | C2 | H29 | 109.7° | 109.5° |
| C4 | C55 | C54 | 119.6° | 120.0° |
| C55 | C4 | C51 | 118.8° | 120.0° |
| C4 | C55 | H36 | 120.2° | 120.0° |
| C55 | C54 | C53 | 120.4° | 120.0° |
| C55 | C54 | H35 | 119.8° | 120.0° |
| C54 | C55 | H36 | 120.2° | 120.0° |
| C4 | C51 | C52 | 122.1° | 120.0° |
| C4 | C51 | H32 | 118.9° | 120.0° |
| C54 | C53 | C52 | 119.6° | 120.0° |
| C54 | C53 | H34 | 120.2° | 120.0° |
| C53 | C54 | H35 | 119.8° | 120.0° |
| O1 | C1 | O2 | 117.8° | 120.0° |
| C1 | O2 | H38 | 109.5° | 117.0° |
| C51 | C52 | C53 | 119.6° | 120.0° |
| C52 | C51 | H32 | 119.0° | 120.0° |
| C51 | C52 | H33 | 120.2° | 120.0° |
| C53 | C52 | H33 | 120.2° | 120.0° |
| C52 | C53 | H34 | 120.2° | 120.0° |
| H1 | C80 | H2 | 109.5° | 109.4° |
| H3 | C81 | H4 | 109.5° | 109.5° |
| H5 | C82 | H6 | 109.5° | 109.5° |
| H7 | C83 | H8 | 109.5° | 109.5° |
| H9 | C84 | H10 | 109.4° | 109.4° |
| H16 | C15 | H17 | 109.5° | 109.5° |
| H18 | C12 | H19 | 109.4° | 109.5° |
| H20 | C13 | H21 | 109.5° | 109.5° |
| H22 | C14 | H23 | 109.4° | 109.5° |
| H22 | C14 | H24 | 109.4° | 109.5° |
| H23 | C14 | H24 | 109.5° | 109.5° |
| H27 | C5 | H28 | 109.4° | 109.5° |
| H30 | C3 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C84 | C83 | C82 | H7 | 120.2° | 119.9° |
| C84 | C83 | C82 | H8 | 120.2° | 119.9° |
| C83 | C84 | N89 | H9 | 119.4° | 120.0° |
| C83 | C84 | N89 | H10 | 119.3° | 120.1° |
| C84 | C83 | C82 | C81 | 55.2° | 57.6° |
| C83 | C84 | N89 | C98 | 115.5° | 174.2° |
| C83 | C84 | N89 | C80 | 67.2° | 61.7° |
| C84 | C83 | C82 | H5 | 65.2° | 177.6° |
| C84 | C83 | C82 | H6 | 175.6° | 62.3° |
| C84 | C83 | H7 | H8 | 119.3° | 120.0° |
| C83 | C84 | H9 | H10 | 121.9° | 120.0° |
| C82 | C83 | C84 | N89 | 56.4° | 59.2° |
| C83 | C82 | C81 | H5 | 120.4° | 119.9° |
| C83 | C82 | C81 | H6 | 120.3° | 120.0° |
| C83 | C82 | C81 | C80 | 56.0° | 57.6° |
| C83 | C82 | C81 | H3 | 175.9° | 62.3° |
| C83 | C82 | C81 | H4 | 63.9° | 177.6° |
| C83 | C82 | H5 | H6 | 118.9° | 120.1° |
| C82 | C83 | H7 | H8 | 119.3° | 120.1° |
| C82 | C83 | C84 | H9 | 175.8° | 60.8° |
| C82 | C83 | C84 | H10 | 63.0° | 179.2° |
| C84 | N89 | C98 | C80 | 177.1° | 124.2° |
| C84 | N89 | C98 | C99 | 81.4° | 55.8° |
| C84 | N89 | C98 | C19 | 99.2° | 124.2° |
| C84 | N89 | C80 | C81 | 68.4° | 61.7° |
| C84 | N89 | C80 | H1 | 172.5° | 178.3° |
| C84 | N89 | C80 | H2 | 50.8° | 58.3° |
| N89 | C84 | C83 | H7 | 176.6° | 60.8° |
| N89 | C84 | C83 | H8 | 63.8° | 179.1° |
| N89 | C84 | H9 | H10 | 121.9° | 119.9° |
| C82 | C81 | C80 | N89 | 58.7° | 59.2° |
| C82 | C81 | C80 | H3 | 119.9° | 119.9° |
| C82 | C81 | C80 | H4 | 119.9° | 120.0° |
| C82 | C81 | C80 | H1 | 177.8° | 179.2° |
| C82 | C81 | C80 | H2 | 60.4° | 60.9° |
| C82 | C81 | H3 | H4 | 120.3° | 120.1° |
| C81 | C82 | H5 | H6 | 118.9° | 120.2° |
| C81 | C82 | C83 | H7 | 175.4° | 62.3° |
| C81 | C82 | C83 | H8 | 65.0° | 177.6° |
| C14 | C13 | C12 | H20 | 119.9° | 119.9° |
| C14 | C13 | C12 | H21 | 119.9° | 120.0° |
| C14 | C13 | C12 | O3 | 106.8° | 180.0° |
| C14 | C13 | C12 | H18 | 133.2° | 60.0° |
| C14 | C13 | C12 | H19 | 13.2° | 60.0° |
| C14 | C13 | H20 | H21 | 120.4° | 120.0° |
| C13 | C14 | H22 | H23 | 120.0° | 120.0° |
| C13 | C14 | H22 | H24 | 120.0° | 120.0° |
| C13 | C14 | H23 | H24 | 120.0° | 120.0° |
| N89 | C98 | C99 | C19 | 179.4° | 179.9° |
| C98 | N89 | C80 | C81 | 114.4° | 174.2° |
| N89 | C98 | C99 | C22 | 179.6° | 180.0° |
| N89 | C98 | C19 | C17 | 179.5° | 180.0° |
| C98 | N89 | C80 | H1 | 4.7° | 54.1° |
| C98 | N89 | C80 | H2 | 126.5° | 65.8° |
| C98 | N89 | C84 | H9 | 3.9° | 65.8° |
| C98 | N89 | C84 | H10 | 125.2° | 54.1° |
| N89 | C98 | C99 | H11 | 0.4° | 0.3° |
| N89 | C98 | C19 | H12 | 0.5° | 0.0° |
| C80 | N89 | C98 | C99 | 95.6° | 180.0° |
| C80 | N89 | C98 | C19 | 83.8° | 0.0° |
| N89 | C80 | C81 | H1 | 119.1° | 120.0° |
| N89 | C80 | C81 | H2 | 119.1° | 120.0° |
| N89 | C80 | H1 | H2 | 122.5° | 119.9° |
| N89 | C80 | C81 | H3 | 178.6° | 60.7° |
| N89 | C80 | C81 | H4 | 61.2° | 179.2° |
| C80 | N89 | C84 | H9 | 173.4° | 58.3° |
| C80 | N89 | C84 | H10 | 52.1° | 178.2° |
| C98 | C99 | C22 | H11 | 180.0° | 179.7° |
| C99 | C98 | C19 | C17 | 0.1° | 0.0° |
| C98 | C99 | C22 | C87 | 0.2° | 0.1° |
| C99 | C98 | C19 | H12 | 179.9° | 180.0° |
| C98 | C99 | C22 | H14 | 179.7° | 179.8° |
| C19 | C98 | C99 | C22 | 0.1° | 0.1° |
| C98 | C19 | C17 | H12 | 180.0° | 180.0° |
| C98 | C19 | C17 | C87 | 0.2° | 0.1° |
| C19 | C98 | C99 | H11 | 179.9° | 179.7° |
| C98 | C19 | C17 | H13 | 179.8° | 179.9° |
| C81 | C80 | H1 | H2 | 122.6° | 120.0° |
| C80 | C81 | H3 | H4 | 120.3° | 120.1° |
| C80 | C81 | C82 | H5 | 64.4° | 177.5° |
| C80 | C81 | C82 | H6 | 176.3° | 62.3° |
| C99 | C22 | C87 | H14 | 180.0° | 179.9° |
| C99 | C22 | C87 | C17 | 0.4° | 0.1° |
| C99 | C22 | C87 | C97 | 179.8° | 179.9° |
| C19 | C17 | C87 | C22 | 0.3° | 0.1° |
| C19 | C17 | C87 | H13 | 180.0° | 179.9° |
| C19 | C17 | C87 | C97 | 179.8° | 180.0° |
| C13 | C12 | O3 | H18 | 120.0° | 120.0° |
| C13 | C12 | O3 | H19 | 120.0° | 120.1° |
| C13 | C12 | O3 | C9 | 149.1° | 180.0° |
| C13 | C12 | H18 | H19 | 120.1° | 120.0° |
| C12 | C13 | H20 | H21 | 120.4° | 120.0° |
| C12 | C13 | C14 | H22 | 180.0° | 60.0° |
| C12 | C13 | C14 | H23 | 60.0° | 60.0° |
| C12 | C13 | C14 | H24 | 60.0° | 180.0° |
| C22 | C87 | C17 | C97 | 179.9° | 180.0° |
| C22 | C87 | C97 | O99 | 138.0° | 180.0° |
| C22 | C87 | C97 | N99 | 41.9° | 0.0° |
| C87 | C22 | C99 | H11 | 179.7° | 179.8° |
| C22 | C87 | C17 | H13 | 179.7° | 180.0° |
| C17 | C87 | C97 | O99 | 41.9° | 0.0° |
| C17 | C87 | C97 | N99 | 138.2° | 180.0° |
| C87 | C17 | C19 | H12 | 179.8° | 180.0° |
| C17 | C87 | C22 | H14 | 179.6° | 179.8° |
| C87 | C97 | O99 | N99 | 179.9° | 180.0° |
| C87 | C97 | N99 | C15 | 179.8° | 180.0° |
| C97 | C87 | C17 | H13 | 0.2° | 0.1° |
| C97 | C87 | C22 | H14 | 0.3° | 0.2° |
| C87 | C97 | N99 | H15 | 0.2° | 0.0° |
| O99 | C97 | N99 | C15 | 0.1° | 0.0° |
| O99 | C97 | N99 | H15 | 179.9° | 180.0° |
| C12 | O3 | C9 | C8 | 115.0° | 179.9° |
| C12 | O3 | C9 | C10 | 65.1° | 0.0° |
| O3 | C12 | H18 | H19 | 120.1° | 120.0° |
| O3 | C12 | C13 | H20 | 13.1° | 60.1° |
| O3 | C12 | C13 | H21 | 133.3° | 60.0° |
| C97 | N99 | C15 | H15 | 180.0° | 180.0° |
| C97 | N99 | C15 | C8 | 179.8° | 180.0° |
| C97 | N99 | C15 | H16 | 59.6° | 60.0° |
| C97 | N99 | C15 | H17 | 60.0° | 60.0° |
| O3 | C9 | C8 | C15 | 0.0° | 0.0° |
| O3 | C9 | C8 | C10 | 179.9° | 180.0° |
| O3 | C9 | C8 | C7 | 179.9° | 179.7° |
| O3 | C9 | C10 | C11 | 180.0° | 180.0° |
| C9 | O3 | C12 | H18 | 29.1° | 60.0° |
| C9 | O3 | C12 | H19 | 91.0° | 60.0° |
| O3 | C9 | C10 | H25 | 0.0° | 0.0° |
| N99 | C15 | C8 | H16 | 120.2° | 120.0° |
| N99 | C15 | C8 | H17 | 120.2° | 120.0° |
| N99 | C15 | C8 | C9 | 66.0° | 80.3° |
| N99 | C15 | C8 | C7 | 114.0° | 100.0° |
| N99 | C15 | H16 | H17 | 119.3° | 120.0° |
| C15 | C8 | C9 | C7 | 179.9° | 179.7° |
| C15 | C8 | C9 | C10 | 180.0° | 180.0° |
| C15 | C8 | C7 | C6 | 180.0° | 179.7° |
| C8 | C15 | N99 | H15 | 0.2° | 0.0° |
| C8 | C15 | H16 | H17 | 119.3° | 120.0° |
| C15 | C8 | C7 | H37 | 0.0° | 0.0° |
| C8 | C9 | C10 | C11 | 0.1° | 0.1° |
| C9 | C8 | C7 | C6 | 0.1° | 0.6° |
| C9 | C8 | C15 | H16 | 173.8° | 39.7° |
| C9 | C8 | C15 | H17 | 54.3° | 159.7° |
| C8 | C9 | C10 | H25 | 179.9° | 179.9° |
| C9 | C8 | C7 | H37 | 180.0° | 179.7° |
| C10 | C9 | C8 | C7 | 0.1° | 0.3° |
| C9 | C10 | C11 | H25 | 180.0° | 180.0° |
| C9 | C10 | C11 | C6 | 0.1° | 0.0° |
| C9 | C10 | C11 | H26 | 179.9° | 179.9° |
| C8 | C7 | C6 | H37 | 180.0° | 179.7° |
| C8 | C7 | C6 | C11 | 0.1° | 0.5° |
| C8 | C7 | C6 | C5 | 179.7° | 179.7° |
| C7 | C8 | C15 | H16 | 6.3° | 140.0° |
| C7 | C8 | C15 | H17 | 125.8° | 20.0° |
| C10 | C11 | C6 | C7 | 0.2° | 0.2° |
| C10 | C11 | C6 | H26 | 180.0° | 179.9° |
| C10 | C11 | C6 | C5 | 179.6° | 180.0° |
| C7 | C6 | C11 | C5 | 179.8° | 179.8° |
| C7 | C6 | C5 | C2 | 138.0° | 95.6° |
| C7 | C6 | C11 | H26 | 179.8° | 179.7° |
| C7 | C6 | C5 | H27 | 17.0° | 24.4° |
| C7 | C6 | C5 | H28 | 101.1° | 144.4° |
| C11 | C6 | C5 | C2 | 41.9° | 84.2° |
| C6 | C11 | C10 | H25 | 179.9° | 180.0° |
| C11 | C6 | C5 | H27 | 162.8° | 155.8° |
| C11 | C6 | C5 | H28 | 79.1° | 35.8° |
| C11 | C6 | C7 | H37 | 179.9° | 179.7° |
| C6 | C5 | C2 | H27 | 120.9° | 120.0° |
| C6 | C5 | C2 | H28 | 121.0° | 119.9° |
| C6 | C5 | C2 | C3 | 77.1° | 65.8° |
| C6 | C5 | C2 | C1 | 157.6° | 174.2° |
| C5 | C6 | C11 | H26 | 0.4° | 0.1° |
| C6 | C5 | H27 | H28 | 117.1° | 119.9° |
| C6 | C5 | C2 | H29 | 41.7° | 54.2° |
| C5 | C6 | C7 | H37 | 0.3° | 0.0° |
| C5 | C2 | C3 | C1 | 116.5° | 120.0° |
| C5 | C2 | C3 | H29 | 118.9° | 120.1° |
| C5 | C2 | C3 | C4 | 179.3° | 175.0° |
| C5 | C2 | C1 | H29 | 115.0° | 120.0° |
| C5 | C2 | C1 | O1 | 59.4° | 36.1° |
| C5 | C2 | C1 | O2 | 120.7° | 143.9° |
| C2 | C5 | H27 | H28 | 117.1° | 120.1° |
| C5 | C2 | C3 | H30 | 58.3° | 55.1° |
| C5 | C2 | C3 | H31 | 59.7° | 65.0° |
| C2 | C3 | C4 | H30 | 121.0° | 120.0° |
| C2 | C3 | C4 | H31 | 121.0° | 120.0° |
| C3 | C2 | C1 | H29 | 123.9° | 120.0° |
| C2 | C3 | C4 | C55 | 77.4° | 90.3° |
| C2 | C3 | C4 | C51 | 102.5° | 90.0° |
| C3 | C2 | C1 | O1 | 179.5° | 83.9° |
| C3 | C2 | C1 | O2 | 0.4° | 96.1° |
| C3 | C2 | C5 | H27 | 43.9° | 54.2° |
| C3 | C2 | C5 | H28 | 162.0° | 174.2° |
| C2 | C3 | H30 | H31 | 116.9° | 120.0° |
| C4 | C3 | C2 | C1 | 64.2° | 65.0° |
| C3 | C4 | C55 | C51 | 179.9° | 179.7° |
| C3 | C4 | C55 | C54 | 179.6° | 179.7° |
| C3 | C4 | C51 | C52 | 179.6° | 180.0° |
| C4 | C3 | C2 | H29 | 60.4° | 55.0° |
| C4 | C3 | H30 | H31 | 116.9° | 120.0° |
| C3 | C4 | C51 | H32 | 0.4° | 0.0° |
| C3 | C4 | C55 | H36 | 0.4° | 0.0° |
| C2 | C1 | O1 | O2 | 179.9° | 179.9° |
| C1 | C2 | C5 | H27 | 81.5° | 65.8° |
| C1 | C2 | C5 | H28 | 36.6° | 54.3° |
| C1 | C2 | C3 | H30 | 174.8° | 175.0° |
| C1 | C2 | C3 | H31 | 56.8° | 55.0° |
| C2 | C1 | O2 | H38 | 179.9° | 180.0° |
| C4 | C55 | C54 | H36 | 180.0° | 179.7° |
| C4 | C55 | C54 | C53 | 0.4° | 0.6° |
| C55 | C4 | C51 | C52 | 0.3° | 0.3° |
| C55 | C4 | C3 | H30 | 43.6° | 149.8° |
| C55 | C4 | C3 | H31 | 161.6° | 29.8° |
| C55 | C4 | C51 | H32 | 179.7° | 179.8° |
| C4 | C55 | C54 | H35 | 179.6° | 179.7° |
| C54 | C55 | C4 | C51 | 0.4° | 0.6° |
| C55 | C54 | C53 | H35 | 180.0° | 179.7° |
| C55 | C54 | C53 | C52 | 0.4° | 0.3° |
| C55 | C54 | C53 | H34 | 179.6° | 179.7° |
| C4 | C51 | C52 | H32 | 180.0° | 180.0° |
| C4 | C51 | C52 | C53 | 0.3° | 0.0° |
| C51 | C4 | C3 | H30 | 136.5° | 30.0° |
| C51 | C4 | C3 | H31 | 18.5° | 150.0° |
| C4 | C51 | C52 | H33 | 179.7° | 180.0° |
| C51 | C4 | C55 | H36 | 179.6° | 179.7° |
| C54 | C53 | C52 | C51 | 0.3° | 0.0° |
| C54 | C53 | C52 | H34 | 180.0° | 180.0° |
| C54 | C53 | C52 | H33 | 179.7° | 180.0° |
| C53 | C54 | C55 | H36 | 179.6° | 179.7° |
| O1 | C1 | C2 | H29 | 55.6° | 156.1° |
| O1 | C1 | O2 | H38 | 0.0° | 0.0° |
| O2 | C1 | C2 | H29 | 124.3° | 23.9° |
| C51 | C52 | C53 | H33 | 180.0° | 179.9° |
| C51 | C52 | C53 | H34 | 179.7° | 180.0° |
| C53 | C52 | C51 | H32 | 179.7° | 180.0° |
| C52 | C53 | C54 | H35 | 179.6° | 180.0° |
| H1 | C80 | C81 | H3 | 62.3° | 59.3° |
| H1 | C80 | C81 | H4 | 57.9° | 60.8° |
| H2 | C80 | C81 | H3 | 59.5° | 179.2° |
| H2 | C80 | C81 | H4 | 179.7° | 59.2° |
| H3 | C81 | C82 | H5 | 55.5° | 57.6° |
| H3 | C81 | C82 | H6 | 63.8° | 177.7° |
| H4 | C81 | C82 | H5 | 175.7° | 62.4° |
| H4 | C81 | C82 | H6 | 56.4° | 57.7° |
| H5 | C82 | C83 | H7 | 55.1° | 57.6° |
| H5 | C82 | C83 | H8 | 174.6° | 62.5° |
| H6 | C82 | C83 | H7 | 64.2° | 177.8° |
| H6 | C82 | C83 | H8 | 55.4° | 57.6° |
| H7 | C83 | C84 | H9 | 64.0° | 179.2° |
| H7 | C83 | C84 | H10 | 57.3° | 59.2° |
| H8 | C83 | C84 | H9 | 55.5° | 59.1° |
| H8 | C83 | C84 | H10 | 176.8° | 60.9° |
| H11 | C99 | C22 | H14 | 0.3° | 0.1° |
| H12 | C19 | C17 | H13 | 0.2° | 0.1° |
| H15 | N99 | C15 | H16 | 120.4° | 120.0° |
| H15 | N99 | C15 | H17 | 120.1° | 120.0° |
| H18 | C12 | C13 | H20 | 106.9° | 180.0° |
| H18 | C12 | C13 | H21 | 13.4° | 60.0° |
| H19 | C12 | C13 | H20 | 133.1° | 60.0° |
| H19 | C12 | C13 | H21 | 106.7° | 180.0° |
| H20 | C13 | C14 | H22 | 60.1° | 180.0° |
| H20 | C13 | C14 | H23 | 59.9° | 60.0° |
| H20 | C13 | C14 | H24 | 179.9° | 60.1° |
| H21 | C13 | C14 | H22 | 60.1° | 60.0° |
| H21 | C13 | C14 | H23 | 179.9° | 180.0° |
| H21 | C13 | C14 | H24 | 59.9° | 60.0° |
| H22 | C14 | H23 | H24 | 119.9° | 120.0° |
| H25 | C10 | C11 | H26 | 0.1° | 0.1° |
| H27 | C5 | C2 | H29 | 162.7° | 174.2° |
| H28 | C5 | C2 | H29 | 79.2° | 65.7° |
| H29 | C2 | C3 | H30 | 60.6° | 65.0° |
| H29 | C2 | C3 | H31 | 178.6° | 175.0° |
| H32 | C51 | C52 | H33 | 0.3° | 0.1° |
| H33 | C52 | C53 | H34 | 0.3° | 0.1° |
| H34 | C53 | C54 | H35 | 0.3° | 0.0° |
| H35 | C54 | C55 | H36 | 0.4° | 0.0° |
