EK1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C84 | C85 | doub | 1.39Å | 1.39Å | Aromatic |
| C84 | N83 | sing | 1.32Å | 1.33Å | Aromatic |
| C85 | C86 | sing | 1.39Å | 1.40Å | Aromatic |
| N83 | C82 | doub | 1.33Å | 1.34Å | Aromatic |
| C86 | N81 | doub | 1.32Å | 1.34Å | Aromatic |
| C82 | N81 | sing | 1.33Å | 1.34Å | Aromatic |
| C82 | C98 | sing | 1.48Å | 1.45Å | |
| C98 | C99 | doub | 1.39Å | 1.39Å | Aromatic |
| C98 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C99 | C22 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C87 | doub | 1.40Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.45Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C17 | C87 | sing | 1.40Å | 1.39Å | Aromatic |
| C87 | C97 | sing | 1.48Å | 1.48Å | |
| O99 | C97 | doub | 1.22Å | 1.21Å | |
| C97 | N99 | sing | 1.35Å | 1.52Å | |
| C12 | O3 | sing | 1.43Å | 1.37Å | |
| O3 | C9 | sing | 1.36Å | 1.41Å | |
| N99 | C15 | sing | 1.46Å | 1.47Å | |
| C15 | C8 | sing | 1.51Å | 1.52Å | |
| C9 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.51Å | 1.55Å | |
| C5 | C2 | sing | 1.53Å | 1.55Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.51Å | 1.58Å | |
| C55 | C54 | doub | 1.38Å | 1.39Å | Aromatic |
| C55 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.47Å | |
| C54 | C53 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C51 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | O1 | doub | 1.21Å | 1.26Å | |
| C1 | O2 | sing | 1.34Å | 1.29Å | |
| C53 | C52 | doub | 1.38Å | 1.39Å | Aromatic |
| C51 | C52 | sing | 1.38Å | 1.38Å | Aromatic |
| C84 | H1 | sing | 1.08Å | 1.08Å | |
| C85 | H2 | sing | 1.08Å | 1.08Å | |
| C86 | H3 | sing | 1.08Å | 1.08Å | |
| C99 | H4 | sing | 1.08Å | 1.08Å | |
| C19 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C5 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C51 | H21 | sing | 1.08Å | 1.08Å | |
| C52 | H22 | sing | 1.08Å | 1.08Å | |
| C53 | H23 | sing | 1.08Å | 1.08Å | |
| C54 | H24 | sing | 1.08Å | 1.08Å | |
| C55 | H25 | sing | 1.08Å | 1.08Å | |
| C7 | H26 | sing | 1.08Å | 1.08Å | |
| O2 | H27 | sing | 0.97Å | 0.95Å | |
| N99 | H28 | sing | 0.97Å | 1.00Å | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| C12 | H30 | sing | 1.09Å | 1.10Å | |
| C13 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C85 | C84 | N83 | 119.6° | 119.2° |
| C84 | C85 | C86 | 118.3° | 118.5° |
| C85 | C84 | H1 | 120.2° | 120.4° |
| C84 | C85 | H2 | 120.8° | 120.7° |
| C84 | N83 | C82 | 120.2° | 120.7° |
| N83 | C84 | H1 | 120.2° | 120.3° |
| C85 | C86 | N81 | 120.2° | 119.2° |
| C86 | C85 | H2 | 120.9° | 120.8° |
| C85 | C86 | H3 | 119.9° | 120.4° |
| N83 | C82 | N81 | 122.4° | 121.6° |
| N83 | C82 | C98 | 117.2° | 119.2° |
| C86 | N81 | C82 | 119.3° | 120.7° |
| N81 | C86 | H3 | 119.9° | 120.4° |
| N81 | C82 | C98 | 120.4° | 119.2° |
| C82 | C98 | C99 | 118.4° | 120.0° |
| C82 | C98 | C19 | 121.0° | 120.0° |
| C99 | C98 | C19 | 120.6° | 120.0° |
| C98 | C99 | C22 | 119.2° | 120.1° |
| C98 | C99 | H4 | 120.4° | 120.0° |
| C98 | C19 | C17 | 119.8° | 120.0° |
| C98 | C19 | H5 | 120.1° | 119.9° |
| C99 | C22 | C87 | 120.9° | 119.9° |
| C22 | C99 | H4 | 120.4° | 119.9° |
| C99 | C22 | H7 | 119.6° | 120.1° |
| C19 | C17 | C87 | 119.3° | 120.0° |
| C17 | C19 | H5 | 120.1° | 120.0° |
| C19 | C17 | H6 | 120.4° | 120.0° |
| C22 | C87 | C17 | 120.2° | 120.0° |
| C22 | C87 | C97 | 118.7° | 120.0° |
| C87 | C22 | H7 | 119.5° | 120.0° |
| C14 | C13 | C12 | 117.3° | 109.5° |
| C14 | C13 | H10 | 107.5° | 109.4° |
| C13 | C14 | H11 | 109.5° | 109.5° |
| C13 | C14 | H12 | 109.4° | 109.5° |
| C13 | C14 | H13 | 109.5° | 109.4° |
| C14 | C13 | H31 | 107.5° | 109.5° |
| C13 | C12 | O3 | 116.7° | 109.5° |
| C13 | C12 | H9 | 107.6° | 109.4° |
| C12 | C13 | H10 | 107.5° | 109.4° |
| C13 | C12 | H30 | 107.6° | 109.5° |
| C12 | C13 | H31 | 107.5° | 109.5° |
| C17 | C87 | C97 | 121.1° | 120.0° |
| C87 | C17 | H6 | 120.3° | 120.0° |
| C87 | C97 | O99 | 118.6° | 120.0° |
| C87 | C97 | N99 | 117.2° | 120.0° |
| O99 | C97 | N99 | 124.3° | 120.0° |
| C97 | N99 | C15 | 128.0° | 120.0° |
| C97 | N99 | H28 | 116.0° | 120.0° |
| C12 | O3 | C9 | 120.0° | 117.0° |
| O3 | C12 | H9 | 107.6° | 109.5° |
| O3 | C12 | H30 | 107.7° | 109.5° |
| O3 | C9 | C8 | 118.2° | 120.1° |
| O3 | C9 | C10 | 121.6° | 120.1° |
| N99 | C15 | C8 | 116.2° | 109.5° |
| N99 | C15 | H8 | 107.8° | 109.5° |
| C15 | N99 | H28 | 116.0° | 120.0° |
| N99 | C15 | H29 | 107.8° | 109.5° |
| C15 | C8 | C9 | 117.0° | 120.0° |
| C15 | C8 | C7 | 123.4° | 120.0° |
| C8 | C15 | H8 | 107.7° | 109.5° |
| C8 | C15 | H29 | 107.8° | 109.5° |
| C8 | C9 | C10 | 120.2° | 119.9° |
| C9 | C8 | C7 | 119.6° | 120.0° |
| C9 | C10 | C11 | 120.4° | 119.9° |
| C9 | C10 | H14 | 119.8° | 120.0° |
| C8 | C7 | C6 | 120.5° | 120.0° |
| C8 | C7 | H26 | 119.8° | 120.0° |
| C10 | C11 | C6 | 120.1° | 120.1° |
| C11 | C10 | H14 | 119.8° | 120.1° |
| C10 | C11 | H15 | 119.9° | 119.9° |
| C7 | C6 | C11 | 119.3° | 120.1° |
| C7 | C6 | C5 | 121.9° | 119.9° |
| C6 | C7 | H26 | 119.8° | 120.0° |
| C11 | C6 | C5 | 118.9° | 120.0° |
| C6 | C11 | H15 | 120.0° | 120.0° |
| C6 | C5 | C2 | 118.8° | 109.4° |
| C6 | C5 | H16 | 107.1° | 109.5° |
| C6 | C5 | H17 | 107.1° | 109.5° |
| C5 | C2 | C3 | 107.0° | 109.5° |
| C5 | C2 | C1 | 116.8° | 109.5° |
| C2 | C5 | H16 | 107.1° | 109.4° |
| C2 | C5 | H17 | 107.1° | 109.5° |
| C5 | C2 | H18 | 108.3° | 109.4° |
| C2 | C3 | C4 | 118.2° | 109.5° |
| C3 | C2 | C1 | 106.5° | 109.5° |
| C3 | C2 | H18 | 108.7° | 109.5° |
| C2 | C3 | H19 | 107.3° | 109.5° |
| C2 | C3 | H20 | 107.2° | 109.5° |
| C3 | C4 | C55 | 119.2° | 120.0° |
| C3 | C4 | C51 | 120.6° | 120.0° |
| C4 | C3 | H19 | 107.2° | 109.4° |
| C4 | C3 | H20 | 107.3° | 109.5° |
| C54 | C55 | C4 | 118.5° | 120.0° |
| C55 | C54 | C53 | 121.3° | 120.1° |
| C55 | C54 | H24 | 119.3° | 120.0° |
| C54 | C55 | H25 | 120.8° | 120.0° |
| C55 | C4 | C51 | 120.3° | 120.0° |
| C4 | C55 | H25 | 120.7° | 120.0° |
| C2 | C1 | O1 | 120.7° | 119.9° |
| C2 | C1 | O2 | 121.3° | 120.0° |
| C1 | C2 | H18 | 109.3° | 109.5° |
| C54 | C53 | C52 | 119.8° | 120.0° |
| C54 | C53 | H23 | 120.1° | 120.0° |
| C53 | C54 | H24 | 119.3° | 120.0° |
| C4 | C51 | C52 | 121.0° | 120.0° |
| C4 | C51 | H21 | 119.5° | 120.0° |
| O1 | C1 | O2 | 118.0° | 120.1° |
| C1 | O2 | H27 | 109.5° | 117.0° |
| C53 | C52 | C51 | 119.1° | 120.0° |
| C53 | C52 | H22 | 120.4° | 120.1° |
| C52 | C53 | H23 | 120.1° | 120.0° |
| C52 | C51 | H21 | 119.5° | 120.0° |
| C51 | C52 | H22 | 120.5° | 120.0° |
| H8 | C15 | H29 | 109.5° | 109.5° |
| H9 | C12 | H30 | 109.5° | 109.5° |
| H10 | C13 | H31 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H11 | C14 | H13 | 109.5° | 109.4° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H16 | C5 | H17 | 109.5° | 109.5° |
| H19 | C3 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C85 | C84 | N83 | H1 | 180.0° | 179.9° |
| C84 | C85 | C86 | H2 | 180.0° | 179.9° |
| C85 | C84 | N83 | C82 | 0.7° | 0.1° |
| C84 | C85 | C86 | N81 | 0.2° | 0.1° |
| C84 | C85 | C86 | H3 | 179.8° | 180.0° |
| N83 | C84 | C85 | C86 | 0.2° | 0.1° |
| C84 | N83 | C82 | N81 | 1.2° | 0.1° |
| C84 | N83 | C82 | C98 | 178.9° | 180.0° |
| N83 | C84 | C85 | H2 | 179.8° | 180.0° |
| C85 | C86 | N81 | H3 | 180.0° | 179.9° |
| C85 | C86 | N81 | C82 | 0.7° | 0.1° |
| C86 | C85 | C84 | H1 | 179.8° | 180.0° |
| N83 | C82 | N81 | C86 | 1.2° | 0.0° |
| N83 | C82 | N81 | C98 | 177.6° | 180.0° |
| N83 | C82 | C98 | C99 | 16.9° | 0.0° |
| N83 | C82 | C98 | C19 | 160.9° | 180.0° |
| C82 | N83 | C84 | H1 | 179.3° | 180.0° |
| C86 | N81 | C82 | C98 | 178.8° | 180.0° |
| N81 | C86 | C85 | H2 | 179.8° | 180.0° |
| N81 | C82 | C98 | C99 | 165.4° | 180.0° |
| N81 | C82 | C98 | C19 | 16.8° | 0.0° |
| C82 | N81 | C86 | H3 | 179.3° | 180.0° |
| C82 | C98 | C99 | C19 | 177.8° | 180.0° |
| C82 | C98 | C99 | C22 | 178.7° | 180.0° |
| C82 | C98 | C19 | C17 | 178.7° | 180.0° |
| C82 | C98 | C99 | H4 | 1.3° | 0.3° |
| C82 | C98 | C19 | H5 | 1.3° | 0.0° |
| C98 | C99 | C22 | H4 | 180.0° | 179.7° |
| C99 | C98 | C19 | C17 | 1.0° | 0.0° |
| C98 | C99 | C22 | C87 | 0.4° | 0.1° |
| C99 | C98 | C19 | H5 | 179.0° | 180.0° |
| C98 | C99 | C22 | H7 | 179.5° | 179.7° |
| C19 | C98 | C99 | C22 | 0.9° | 0.0° |
| C98 | C19 | C17 | H5 | 180.0° | 180.0° |
| C98 | C19 | C17 | C87 | 0.7° | 0.0° |
| C19 | C98 | C99 | H4 | 179.1° | 179.7° |
| C98 | C19 | C17 | H6 | 179.3° | 180.0° |
| C99 | C22 | C87 | H7 | 180.0° | 179.8° |
| C99 | C22 | C87 | C17 | 0.1° | 0.1° |
| C99 | C22 | C87 | C97 | 180.0° | 179.9° |
| C19 | C17 | C87 | C22 | 0.2° | 0.0° |
| C19 | C17 | C87 | H6 | 180.0° | 180.0° |
| C19 | C17 | C87 | C97 | 179.9° | 180.0° |
| C22 | C87 | C17 | C97 | 179.9° | 180.0° |
| C22 | C87 | C97 | O99 | 121.7° | 180.0° |
| C22 | C87 | C97 | N99 | 57.9° | 0.0° |
| C87 | C22 | C99 | H4 | 179.6° | 179.7° |
| C22 | C87 | C17 | H6 | 179.8° | 180.0° |
| C14 | C13 | C12 | H10 | 121.1° | 120.0° |
| C14 | C13 | C12 | H31 | 121.1° | 120.0° |
| C14 | C13 | C12 | O3 | 11.3° | 180.0° |
| C14 | C13 | C12 | H9 | 132.4° | 60.0° |
| C14 | C13 | H10 | H31 | 116.5° | 120.0° |
| C13 | C14 | H11 | H12 | 120.0° | 120.1° |
| C13 | C14 | H11 | H13 | 120.0° | 119.9° |
| C13 | C14 | H12 | H13 | 120.0° | 120.0° |
| C14 | C13 | C12 | H30 | 109.7° | 60.0° |
| C13 | C12 | O3 | H9 | 121.0° | 119.9° |
| C13 | C12 | O3 | H30 | 121.0° | 120.1° |
| C13 | C12 | O3 | C9 | 128.3° | 180.0° |
| C13 | C12 | H9 | H30 | 116.7° | 120.0° |
| C12 | C13 | H10 | H31 | 116.5° | 120.0° |
| C12 | C13 | C14 | H11 | 180.0° | 59.9° |
| C12 | C13 | C14 | H12 | 60.0° | 180.0° |
| C12 | C13 | C14 | H13 | 60.0° | 60.0° |
| C17 | C87 | C97 | O99 | 58.4° | 0.0° |
| C17 | C87 | C97 | N99 | 122.0° | 180.0° |
| C87 | C17 | C19 | H5 | 179.3° | 180.0° |
| C17 | C87 | C22 | H7 | 179.9° | 179.7° |
| C87 | C97 | O99 | N99 | 179.5° | 180.0° |
| C87 | C97 | N99 | C15 | 179.4° | 180.0° |
| C97 | C87 | C17 | H6 | 0.1° | 0.0° |
| C97 | C87 | C22 | H7 | 0.0° | 0.3° |
| C87 | C97 | N99 | H28 | 0.6° | 0.0° |
| O99 | C97 | N99 | C15 | 1.1° | 0.0° |
| O99 | C97 | N99 | H28 | 178.9° | 180.0° |
| C97 | N99 | C15 | H28 | 180.0° | 180.0° |
| C97 | N99 | C15 | C8 | 167.8° | 180.0° |
| C97 | N99 | C15 | H8 | 71.2° | 60.0° |
| C97 | N99 | C15 | H29 | 46.8° | 60.0° |
| C12 | O3 | C9 | C8 | 176.3° | 180.0° |
| C12 | O3 | C9 | C10 | 4.1° | 0.0° |
| O3 | C12 | H9 | H30 | 116.7° | 120.0° |
| O3 | C12 | C13 | H10 | 109.8° | 60.0° |
| O3 | C12 | C13 | H31 | 132.5° | 60.0° |
| O3 | C9 | C8 | C15 | 0.6° | 0.1° |
| O3 | C9 | C8 | C10 | 179.7° | 180.0° |
| O3 | C9 | C8 | C7 | 179.9° | 179.7° |
| O3 | C9 | C10 | C11 | 179.9° | 179.9° |
| C9 | O3 | C12 | H9 | 110.7° | 60.0° |
| O3 | C9 | C10 | H14 | 0.1° | 0.0° |
| C9 | O3 | C12 | H30 | 7.2° | 60.0° |
| N99 | C15 | C8 | H8 | 121.0° | 120.0° |
| N99 | C15 | C8 | H29 | 121.0° | 120.0° |
| N99 | C15 | C8 | C9 | 60.1° | 80.2° |
| N99 | C15 | C8 | C7 | 119.1° | 100.0° |
| N99 | C15 | H8 | H29 | 117.0° | 120.0° |
| C15 | C8 | C9 | C7 | 179.3° | 179.8° |
| C15 | C8 | C9 | C10 | 179.8° | 180.0° |
| C15 | C8 | C7 | C6 | 179.6° | 179.7° |
| C8 | C15 | H8 | H29 | 116.9° | 120.0° |
| C15 | C8 | C7 | H26 | 0.4° | 0.0° |
| C8 | C15 | N99 | H28 | 12.2° | 0.0° |
| C8 | C9 | C10 | C11 | 0.2° | 0.0° |
| C9 | C8 | C7 | C6 | 0.3° | 0.5° |
| C9 | C8 | C15 | H8 | 178.9° | 39.8° |
| C8 | C9 | C10 | H14 | 179.8° | 180.0° |
| C9 | C8 | C7 | H26 | 179.7° | 179.7° |
| C9 | C8 | C15 | H29 | 60.9° | 159.8° |
| C10 | C9 | C8 | C7 | 0.4° | 0.2° |
| C9 | C10 | C11 | H14 | 180.0° | 180.0° |
| C9 | C10 | C11 | C6 | 0.1° | 0.1° |
| C9 | C10 | C11 | H15 | 179.9° | 180.0° |
| C8 | C7 | C6 | H26 | 180.0° | 179.7° |
| C8 | C7 | C6 | C11 | 0.0° | 0.6° |
| C8 | C7 | C6 | C5 | 179.7° | 179.7° |
| C7 | C8 | C15 | H8 | 1.8° | 140.0° |
| C7 | C8 | C15 | H29 | 119.8° | 20.0° |
| C10 | C11 | C6 | C7 | 0.3° | 0.4° |
| C10 | C11 | C6 | H15 | 180.0° | 179.9° |
| C10 | C11 | C6 | C5 | 180.0° | 179.9° |
| C7 | C6 | C11 | C5 | 179.7° | 179.7° |
| C7 | C6 | C5 | C2 | 128.4° | 95.6° |
| C7 | C6 | C11 | H15 | 179.7° | 179.7° |
| C7 | C6 | C5 | H16 | 7.1° | 24.4° |
| C7 | C6 | C5 | H17 | 110.2° | 144.5° |
| C11 | C6 | C5 | C2 | 51.9° | 84.1° |
| C6 | C11 | C10 | H14 | 179.9° | 179.9° |
| C11 | C6 | C5 | H16 | 173.2° | 155.9° |
| C11 | C6 | C5 | H17 | 69.5° | 35.9° |
| C11 | C6 | C7 | H26 | 180.0° | 179.7° |
| C6 | C5 | C2 | H16 | 121.3° | 120.0° |
| C6 | C5 | C2 | H17 | 121.3° | 120.0° |
| C6 | C5 | C2 | C3 | 59.2° | 65.8° |
| C6 | C5 | C2 | C1 | 178.4° | 174.2° |
| C5 | C6 | C11 | H15 | 0.0° | 0.0° |
| C6 | C5 | H16 | H17 | 115.8° | 120.1° |
| C6 | C5 | C2 | H18 | 57.8° | 54.2° |
| C5 | C6 | C7 | H26 | 0.3° | 0.0° |
| C5 | C2 | C3 | C1 | 125.6° | 120.0° |
| C5 | C2 | C3 | H18 | 116.7° | 120.0° |
| C5 | C2 | C3 | C4 | 177.3° | 175.0° |
| C5 | C2 | C1 | H18 | 123.3° | 120.0° |
| C5 | C2 | C1 | O1 | 106.3° | 36.1° |
| C5 | C2 | C1 | O2 | 75.9° | 143.9° |
| C2 | C5 | H16 | H17 | 115.8° | 120.0° |
| C5 | C2 | C3 | H19 | 61.4° | 55.0° |
| C5 | C2 | C3 | H20 | 56.1° | 65.0° |
| C2 | C3 | C4 | H19 | 121.3° | 120.0° |
| C2 | C3 | C4 | H20 | 121.2° | 120.0° |
| C2 | C3 | C4 | C55 | 126.3° | 90.3° |
| C3 | C2 | C1 | H18 | 117.3° | 120.0° |
| C2 | C3 | C4 | C51 | 53.4° | 90.0° |
| C3 | C2 | C1 | O1 | 134.3° | 83.9° |
| C3 | C2 | C1 | O2 | 43.5° | 96.1° |
| C3 | C2 | C5 | H16 | 62.1° | 54.2° |
| C3 | C2 | C5 | H17 | 179.5° | 174.2° |
| C2 | C3 | H19 | H20 | 116.0° | 120.1° |
| C3 | C4 | C55 | C54 | 179.9° | 179.7° |
| C3 | C4 | C55 | C51 | 179.6° | 179.7° |
| C4 | C3 | C2 | C1 | 51.7° | 65.0° |
| C3 | C4 | C51 | C52 | 179.8° | 180.0° |
| C4 | C3 | C2 | H18 | 66.0° | 55.0° |
| C4 | C3 | H19 | H20 | 116.1° | 120.0° |
| C3 | C4 | C51 | H21 | 0.2° | 0.1° |
| C3 | C4 | C55 | H25 | 0.1° | 0.3° |
| C54 | C55 | C4 | H25 | 180.0° | 179.4° |
| C55 | C54 | C53 | H24 | 180.0° | 179.7° |
| C54 | C55 | C4 | C51 | 0.5° | 0.6° |
| C55 | C54 | C53 | C52 | 0.1° | 0.3° |
| C55 | C54 | C53 | H23 | 179.9° | 179.7° |
| C4 | C55 | C54 | C53 | 0.4° | 0.6° |
| C55 | C4 | C51 | C52 | 0.2° | 0.3° |
| C55 | C4 | C3 | H19 | 5.0° | 149.7° |
| C55 | C4 | C3 | H20 | 112.5° | 29.7° |
| C55 | C4 | C51 | H21 | 179.8° | 179.7° |
| C4 | C55 | C54 | H24 | 179.6° | 179.7° |
| C2 | C1 | O1 | O2 | 177.8° | 180.0° |
| C1 | C2 | C5 | H16 | 57.0° | 65.8° |
| C1 | C2 | C5 | H17 | 60.3° | 54.2° |
| C1 | C2 | C3 | H19 | 172.9° | 175.0° |
| C1 | C2 | C3 | H20 | 69.6° | 55.0° |
| C2 | C1 | O2 | H27 | 177.8° | 180.0° |
| C54 | C53 | C52 | H23 | 180.0° | 180.0° |
| C54 | C53 | C52 | C51 | 0.2° | 0.0° |
| C54 | C53 | C52 | H22 | 179.8° | 180.0° |
| C53 | C54 | C55 | H25 | 179.6° | 180.0° |
| C4 | C51 | C52 | C53 | 0.1° | 0.0° |
| C4 | C51 | C52 | H21 | 180.0° | 179.9° |
| C51 | C4 | C3 | H19 | 174.6° | 30.0° |
| C51 | C4 | C3 | H20 | 67.9° | 149.9° |
| C4 | C51 | C52 | H22 | 179.9° | 179.9° |
| C51 | C4 | C55 | H25 | 179.5° | 180.0° |
| O1 | C1 | C2 | H18 | 17.0° | 156.1° |
| O1 | C1 | O2 | H27 | 0.0° | 0.0° |
| O2 | C1 | C2 | H18 | 160.7° | 23.9° |
| C53 | C52 | C51 | H22 | 180.0° | 180.0° |
| C53 | C52 | C51 | H21 | 179.9° | 179.9° |
| C52 | C53 | C54 | H24 | 179.9° | 180.0° |
| C51 | C52 | C53 | H23 | 179.8° | 180.0° |
| H1 | C84 | C85 | H2 | 0.2° | 0.1° |
| H2 | C85 | C86 | H3 | 0.2° | 0.1° |
| H4 | C99 | C22 | H7 | 0.4° | 0.1° |
| H5 | C19 | C17 | H6 | 0.7° | 0.0° |
| H8 | C15 | N99 | H28 | 108.7° | 120.0° |
| H9 | C12 | C13 | H10 | 11.3° | 180.0° |
| H9 | C12 | C13 | H31 | 106.5° | 60.0° |
| H10 | C13 | C14 | H11 | 58.9° | 60.0° |
| H10 | C13 | C14 | H12 | 61.1° | 60.0° |
| H10 | C13 | C14 | H13 | 178.9° | 179.9° |
| H10 | C13 | C12 | H30 | 129.2° | 60.0° |
| H11 | C14 | H12 | H13 | 120.0° | 120.0° |
| H11 | C14 | C13 | H31 | 58.9° | 180.0° |
| H12 | C14 | C13 | H31 | 178.9° | 60.0° |
| H13 | C14 | C13 | H31 | 61.1° | 60.1° |
| H14 | C10 | C11 | H15 | 0.2° | 0.0° |
| H16 | C5 | C2 | H18 | 179.1° | 174.2° |
| H17 | C5 | C2 | H18 | 63.5° | 65.8° |
| H18 | C2 | C3 | H19 | 55.3° | 65.0° |
| H18 | C2 | C3 | H20 | 172.8° | 175.0° |
| H21 | C51 | C52 | H22 | 0.1° | 0.0° |
| H22 | C52 | C53 | H23 | 0.1° | 0.0° |
| H23 | C53 | C54 | H24 | 0.1° | 0.0° |
| H24 | C54 | C55 | H25 | 0.4° | 0.3° |
| H28 | N99 | C15 | H29 | 133.2° | 120.0° |
| H30 | C12 | C13 | H31 | 11.4° | 180.0° |
