0GU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C2 | sing | 1.40Å | 1.36Å | |
| F78 | C2 | sing | 1.40Å | 1.37Å | |
| C2 | C3 | sing | 1.53Å | 1.57Å | |
| C2 | C75 | sing | 1.53Å | 1.56Å | |
| C3 | C6 | sing | 1.53Å | 1.56Å | |
| C6 | C9 | sing | 1.52Å | 1.57Å | |
| C75 | C72 | sing | 1.53Å | 1.55Å | |
| C72 | C9 | sing | 1.52Å | 1.57Å | |
| C9 | C16 | sing | 1.51Å | 1.55Å | |
| C9 | C10 | sing | 1.54Å | 1.58Å | |
| C17 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C17 | C19 | sing | 1.38Å | 1.42Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | C19 | sing | 1.51Å | 1.54Å | |
| C24 | C27 | sing | 1.53Å | 1.57Å | |
| C37 | C27 | sing | 1.53Å | 1.56Å | |
| C37 | S36 | sing | 1.82Å | 1.79Å | |
| C29 | O70 | sing | 1.43Å | 1.44Å | |
| C29 | C27 | sing | 1.53Å | 1.56Å | |
| C29 | C31 | sing | 1.53Å | 1.56Å | |
| C10 | N13 | sing | 1.48Å | 1.45Å | |
| C19 | C20 | doub | 1.38Å | 1.43Å | Aromatic |
| C33 | C31 | sing | 1.53Å | 1.55Å | |
| C33 | S36 | sing | 1.82Å | 1.79Å | |
| N42 | C31 | sing | 1.47Å | 1.48Å | |
| N42 | C44 | sing | 1.47Å | 1.49Å | |
| O41 | S36 | doub | 1.42Å | 1.44Å | |
| S36 | O40 | doub | 1.42Å | 1.45Å | |
| C15 | N13 | sing | 1.40Å | 1.34Å | |
| C15 | C22 | doub | 1.39Å | 1.41Å | Aromatic |
| C44 | C47 | sing | 1.51Å | 1.55Å | |
| C20 | C22 | sing | 1.38Å | 1.42Å | Aromatic |
| C22 | F23 | sing | 1.35Å | 1.34Å | |
| C47 | C48 | doub | 1.38Å | 1.41Å | Aromatic |
| C47 | C55 | sing | 1.38Å | 1.41Å | Aromatic |
| C48 | C50 | sing | 1.38Å | 1.42Å | Aromatic |
| C55 | C53 | doub | 1.38Å | 1.41Å | Aromatic |
| C66 | C57 | sing | 1.53Å | 1.56Å | |
| C50 | C57 | sing | 1.51Å | 1.57Å | |
| C50 | C51 | doub | 1.38Å | 1.43Å | Aromatic |
| C58 | C57 | sing | 1.53Å | 1.56Å | |
| C57 | C62 | sing | 1.53Å | 1.56Å | |
| C53 | C51 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| N13 | H7 | sing | 1.01Å | 1.00Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C31 | H14 | sing | 1.09Å | 1.10Å | |
| C33 | H15 | sing | 1.09Å | 1.10Å | |
| C33 | H16 | sing | 1.09Å | 1.10Å | |
| C37 | H17 | sing | 1.09Å | 1.10Å | |
| C37 | H18 | sing | 1.09Å | 1.10Å | |
| N42 | H19 | sing | 1.01Å | 1.00Å | |
| C44 | H21 | sing | 1.09Å | 1.10Å | |
| C44 | H22 | sing | 1.09Å | 1.10Å | |
| C48 | H23 | sing | 1.08Å | 1.08Å | |
| C51 | H24 | sing | 1.08Å | 1.08Å | |
| C53 | H25 | sing | 1.08Å | 1.08Å | |
| C55 | H26 | sing | 1.08Å | 1.08Å | |
| C58 | H27 | sing | 1.09Å | 1.10Å | |
| C58 | H28 | sing | 1.09Å | 1.10Å | |
| C58 | H29 | sing | 1.09Å | 1.10Å | |
| C62 | H30 | sing | 1.09Å | 1.10Å | |
| C62 | H31 | sing | 1.09Å | 1.10Å | |
| C62 | H32 | sing | 1.09Å | 1.10Å | |
| C66 | H33 | sing | 1.09Å | 1.10Å | |
| C66 | H34 | sing | 1.09Å | 1.10Å | |
| C66 | H35 | sing | 1.09Å | 1.10Å | |
| O70 | H36 | sing | 0.97Å | 0.95Å | |
| C72 | H37 | sing | 1.09Å | 1.10Å | |
| C72 | H38 | sing | 1.09Å | 1.10Å | |
| C75 | H39 | sing | 1.09Å | 1.10Å | |
| C75 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C2 | F78 | 107.7° | 109.5° |
| F1 | C2 | C3 | 107.1° | 109.5° |
| F1 | C2 | C75 | 107.5° | 109.5° |
| F78 | C2 | C3 | 110.9° | 109.5° |
| F78 | C2 | C75 | 108.0° | 109.5° |
| C3 | C2 | C75 | 115.4° | 109.5° |
| C2 | C3 | C6 | 115.6° | 109.4° |
| C2 | C3 | H1 | 107.9° | 109.5° |
| C2 | C3 | H2 | 107.9° | 109.4° |
| C2 | C75 | C72 | 111.5° | 109.4° |
| C2 | C75 | H39 | 109.0° | 109.5° |
| C2 | C75 | H40 | 109.0° | 109.5° |
| C3 | C6 | C9 | 116.1° | 109.6° |
| C6 | C3 | H1 | 107.9° | 109.5° |
| C6 | C3 | H2 | 107.9° | 109.5° |
| C3 | C6 | H3 | 107.8° | 109.4° |
| C3 | C6 | H4 | 107.8° | 109.5° |
| C6 | C9 | C72 | 111.1° | 111.1° |
| C6 | C9 | C16 | 115.0° | 110.7° |
| C6 | C9 | C10 | 110.4° | 110.4° |
| C9 | C6 | H3 | 107.8° | 109.4° |
| C9 | C6 | H4 | 107.8° | 109.4° |
| C75 | C72 | C9 | 114.4° | 109.6° |
| C75 | C72 | H37 | 108.3° | 109.4° |
| C75 | C72 | H38 | 108.2° | 109.5° |
| C72 | C75 | H39 | 109.0° | 109.5° |
| C72 | C75 | H40 | 109.0° | 109.5° |
| C72 | C9 | C16 | 110.8° | 110.7° |
| C72 | C9 | C10 | 108.3° | 110.4° |
| C9 | C72 | H37 | 108.2° | 109.4° |
| C9 | C72 | H38 | 108.2° | 109.5° |
| C16 | C9 | C10 | 100.6° | 103.4° |
| C9 | C16 | C17 | 133.1° | 131.9° |
| C9 | C16 | C15 | 108.3° | 107.7° |
| C9 | C10 | N13 | 104.2° | 102.5° |
| C9 | C10 | H5 | 110.8° | 110.8° |
| C9 | C10 | H6 | 110.8° | 110.8° |
| C16 | C17 | C19 | 120.6° | 120.2° |
| C17 | C16 | C15 | 118.6° | 120.4° |
| C16 | C17 | H8 | 119.7° | 119.9° |
| C17 | C19 | C24 | 119.8° | 120.0° |
| C17 | C19 | C20 | 119.6° | 119.9° |
| C19 | C17 | H8 | 119.7° | 119.9° |
| C16 | C15 | N13 | 111.7° | 111.0° |
| C16 | C15 | C22 | 122.6° | 119.1° |
| C19 | C24 | C27 | 113.7° | 109.5° |
| C24 | C19 | C20 | 120.6° | 120.1° |
| C19 | C24 | H10 | 108.4° | 109.5° |
| C19 | C24 | H11 | 108.4° | 109.5° |
| C24 | C27 | C37 | 110.1° | 109.4° |
| C24 | C27 | C29 | 117.5° | 109.4° |
| C27 | C24 | H10 | 108.4° | 109.5° |
| C27 | C24 | H11 | 108.4° | 109.5° |
| C24 | C27 | H12 | 107.0° | 109.4° |
| C27 | C37 | S36 | 108.3° | 109.0° |
| C37 | C27 | C29 | 107.7° | 109.9° |
| C37 | C27 | H12 | 107.1° | 109.4° |
| C27 | C37 | H17 | 109.8° | 109.6° |
| C27 | C37 | H18 | 109.7° | 109.6° |
| C37 | S36 | C33 | 98.6° | 101.2° |
| C37 | S36 | O41 | 109.7° | 108.8° |
| C37 | S36 | O40 | 108.9° | 108.7° |
| S36 | C37 | H17 | 109.7° | 109.6° |
| S36 | C37 | H18 | 109.8° | 109.4° |
| O70 | C29 | C27 | 114.3° | 109.2° |
| O70 | C29 | C31 | 102.5° | 109.2° |
| O70 | C29 | H13 | 110.5° | 109.3° |
| C29 | O70 | H36 | 109.5° | 113.9° |
| C27 | C29 | C31 | 111.9° | 110.6° |
| C29 | C27 | H12 | 107.1° | 109.4° |
| C27 | C29 | H13 | 108.7° | 109.3° |
| C29 | C31 | C33 | 115.0° | 110.0° |
| C29 | C31 | N42 | 113.0° | 109.4° |
| C31 | C29 | H13 | 108.8° | 109.2° |
| C29 | C31 | H14 | 105.4° | 109.4° |
| C10 | N13 | C15 | 111.7° | 107.9° |
| N13 | C10 | H5 | 110.8° | 110.8° |
| N13 | C10 | H6 | 110.8° | 110.8° |
| C10 | N13 | H7 | 108.9° | 111.0° |
| C19 | C20 | C22 | 120.2° | 120.2° |
| C19 | C20 | H9 | 119.9° | 119.9° |
| C31 | C33 | S36 | 107.2° | 109.0° |
| C33 | C31 | N42 | 110.8° | 109.3° |
| C33 | C31 | H14 | 105.5° | 109.4° |
| C31 | C33 | H15 | 110.0° | 109.5° |
| C31 | C33 | H16 | 110.0° | 109.6° |
| C33 | S36 | O41 | 107.5° | 108.7° |
| C33 | S36 | O40 | 111.9° | 108.7° |
| S36 | C33 | H15 | 110.0° | 109.6° |
| S36 | C33 | H16 | 110.0° | 109.5° |
| C31 | N42 | C44 | 122.3° | 111.0° |
| N42 | C31 | H14 | 106.2° | 109.4° |
| C31 | N42 | H19 | 106.2° | 111.0° |
| N42 | C44 | C47 | 107.6° | 109.5° |
| C44 | N42 | H19 | 106.2° | 111.0° |
| N42 | C44 | H21 | 109.9° | 109.5° |
| N42 | C44 | H22 | 110.0° | 109.5° |
| O41 | S36 | O40 | 118.4° | 119.3° |
| N13 | C15 | C22 | 125.7° | 130.0° |
| C15 | N13 | H7 | 108.9° | 111.0° |
| C15 | C22 | C20 | 118.4° | 120.2° |
| C15 | C22 | F23 | 120.3° | 119.9° |
| C44 | C47 | C48 | 120.9° | 120.0° |
| C44 | C47 | C55 | 119.7° | 119.9° |
| C47 | C44 | H21 | 109.9° | 109.4° |
| C47 | C44 | H22 | 109.9° | 109.5° |
| C20 | C22 | F23 | 121.3° | 119.9° |
| C22 | C20 | H9 | 119.9° | 119.9° |
| C48 | C47 | C55 | 119.5° | 120.0° |
| C47 | C48 | C50 | 122.4° | 120.0° |
| C47 | C48 | H23 | 118.8° | 120.0° |
| C47 | C55 | C53 | 120.0° | 120.0° |
| C47 | C55 | H26 | 120.0° | 120.1° |
| C48 | C50 | C57 | 121.8° | 120.0° |
| C48 | C50 | C51 | 116.2° | 120.0° |
| C50 | C48 | H23 | 118.8° | 120.0° |
| C55 | C53 | C51 | 119.5° | 120.0° |
| C55 | C53 | H25 | 120.3° | 120.0° |
| C53 | C55 | H26 | 120.0° | 120.0° |
| C66 | C57 | C50 | 112.5° | 109.5° |
| C66 | C57 | C58 | 109.7° | 109.5° |
| C66 | C57 | C62 | 104.7° | 109.5° |
| C57 | C66 | H33 | 109.5° | 109.5° |
| C57 | C66 | H34 | 109.5° | 109.5° |
| C57 | C66 | H35 | 109.5° | 109.4° |
| C57 | C50 | C51 | 122.0° | 120.0° |
| C50 | C57 | C58 | 107.7° | 109.5° |
| C50 | C57 | C62 | 114.1° | 109.5° |
| C50 | C51 | C53 | 122.4° | 120.0° |
| C50 | C51 | H24 | 118.8° | 120.0° |
| C58 | C57 | C62 | 108.0° | 109.4° |
| C57 | C58 | H27 | 109.5° | 109.5° |
| C57 | C58 | H28 | 109.5° | 109.5° |
| C57 | C58 | H29 | 109.5° | 109.5° |
| C57 | C62 | H30 | 109.5° | 109.5° |
| C57 | C62 | H31 | 109.5° | 109.5° |
| C57 | C62 | H32 | 109.5° | 109.5° |
| C53 | C51 | H24 | 118.8° | 120.0° |
| C51 | C53 | H25 | 120.2° | 120.0° |
| H1 | C3 | H2 | 109.5° | 109.5° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.5° | 110.9° |
| H10 | C24 | H11 | 109.5° | 109.5° |
| H15 | C33 | H16 | 109.5° | 109.6° |
| H17 | C37 | H18 | 109.5° | 109.6° |
| H21 | C44 | H22 | 109.4° | 109.4° |
| H27 | C58 | H28 | 109.4° | 109.5° |
| H27 | C58 | H29 | 109.5° | 109.4° |
| H28 | C58 | H29 | 109.5° | 109.4° |
| H30 | C62 | H31 | 109.5° | 109.5° |
| H30 | C62 | H32 | 109.5° | 109.4° |
| H31 | C62 | H32 | 109.5° | 109.5° |
| H33 | C66 | H34 | 109.5° | 109.4° |
| H33 | C66 | H35 | 109.5° | 109.5° |
| H34 | C66 | H35 | 109.5° | 109.5° |
| H37 | C72 | H38 | 109.5° | 109.4° |
| H39 | C75 | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C2 | F78 | C3 | 116.8° | 120.0° |
| F1 | C2 | F78 | C75 | 115.8° | 120.0° |
| F1 | C2 | C3 | C75 | 119.6° | 120.0° |
| F1 | C2 | C3 | C6 | 158.5° | 59.4° |
| F1 | C2 | C75 | C72 | 166.1° | 59.4° |
| F1 | C2 | C3 | H1 | 80.6° | 179.4° |
| F1 | C2 | C3 | H2 | 37.6° | 60.5° |
| F1 | C2 | C75 | H39 | 45.8° | 60.5° |
| F1 | C2 | C75 | H40 | 73.6° | 179.4° |
| F78 | C2 | C3 | C75 | 123.2° | 120.0° |
| F78 | C2 | C3 | C6 | 84.3° | 179.4° |
| F78 | C2 | C75 | C72 | 77.9° | 179.4° |
| F78 | C2 | C3 | H1 | 36.6° | 60.6° |
| F78 | C2 | C3 | H2 | 154.8° | 59.4° |
| F78 | C2 | C75 | H39 | 161.7° | 59.5° |
| F78 | C2 | C75 | H40 | 42.3° | 60.6° |
| C2 | C3 | C6 | H1 | 120.9° | 120.0° |
| C2 | C3 | C6 | H2 | 120.9° | 119.9° |
| C2 | C3 | C6 | C9 | 37.7° | 59.0° |
| C3 | C2 | C75 | C72 | 46.7° | 60.6° |
| C2 | C3 | H1 | H2 | 117.2° | 120.0° |
| C2 | C3 | C6 | H3 | 83.3° | 178.9° |
| C2 | C3 | C6 | H4 | 158.7° | 61.1° |
| C3 | C2 | C75 | H39 | 73.6° | 179.5° |
| C3 | C2 | C75 | H40 | 167.0° | 59.4° |
| C75 | C2 | C3 | C6 | 38.9° | 60.6° |
| C2 | C75 | C72 | H39 | 120.3° | 119.9° |
| C2 | C75 | C72 | H40 | 120.3° | 120.0° |
| C2 | C75 | C72 | C9 | 54.9° | 59.0° |
| C75 | C2 | C3 | H1 | 159.8° | 59.4° |
| C75 | C2 | C3 | H2 | 82.0° | 179.4° |
| C2 | C75 | C72 | H37 | 175.6° | 179.0° |
| C2 | C75 | C72 | H38 | 65.8° | 61.1° |
| C2 | C75 | H39 | H40 | 119.1° | 120.1° |
| C3 | C6 | C9 | H3 | 121.0° | 120.0° |
| C3 | C6 | C9 | H4 | 121.0° | 120.1° |
| C3 | C6 | C9 | C72 | 43.9° | 58.3° |
| C3 | C6 | C9 | C16 | 83.0° | 178.3° |
| C3 | C6 | C9 | C10 | 164.1° | 64.5° |
| C6 | C3 | H1 | H2 | 117.2° | 120.1° |
| C3 | C6 | H3 | H4 | 117.0° | 120.0° |
| C6 | C9 | C72 | C75 | 53.2° | 58.3° |
| C6 | C9 | C72 | C16 | 129.1° | 123.4° |
| C6 | C9 | C72 | C10 | 121.5° | 122.7° |
| C6 | C9 | C16 | C10 | 118.6° | 118.2° |
| C6 | C9 | C16 | C17 | 50.1° | 45.9° |
| C6 | C9 | C16 | C15 | 130.5° | 134.1° |
| C6 | C9 | C10 | N13 | 139.4° | 143.6° |
| C9 | C6 | C3 | H1 | 158.6° | 61.0° |
| C9 | C6 | C3 | H2 | 83.2° | 178.8° |
| C9 | C6 | H3 | H4 | 117.0° | 119.9° |
| C6 | C9 | C10 | H5 | 101.5° | 98.1° |
| C6 | C9 | C10 | H6 | 20.2° | 25.3° |
| C6 | C9 | C72 | H37 | 173.9° | 178.3° |
| C6 | C9 | C72 | H38 | 67.5° | 61.8° |
| C75 | C72 | C9 | H37 | 120.7° | 120.0° |
| C75 | C72 | C9 | H38 | 120.7° | 120.1° |
| C75 | C72 | C9 | C16 | 75.9° | 178.3° |
| C75 | C72 | C9 | C10 | 174.7° | 64.4° |
| C75 | C72 | H37 | H38 | 117.8° | 119.9° |
| C72 | C75 | H39 | H40 | 119.1° | 120.0° |
| C72 | C9 | C16 | C10 | 114.4° | 118.2° |
| C72 | C9 | C16 | C17 | 77.0° | 77.7° |
| C72 | C9 | C16 | C15 | 102.5° | 102.3° |
| C72 | C9 | C10 | N13 | 98.7° | 93.3° |
| C72 | C9 | C6 | H3 | 77.1° | 178.2° |
| C72 | C9 | C6 | H4 | 164.9° | 61.8° |
| C72 | C9 | C10 | H5 | 20.5° | 25.0° |
| C72 | C9 | C10 | H6 | 142.1° | 148.5° |
| C9 | C72 | H37 | H38 | 117.8° | 119.9° |
| C9 | C72 | C75 | H39 | 65.4° | 178.9° |
| C9 | C72 | C75 | H40 | 175.2° | 61.0° |
| C9 | C16 | C17 | C15 | 179.4° | 180.0° |
| C9 | C16 | C17 | C19 | 178.8° | 179.7° |
| C16 | C9 | C10 | N13 | 17.5° | 25.2° |
| C9 | C16 | C15 | N13 | 1.2° | 0.4° |
| C9 | C16 | C15 | C22 | 178.7° | 179.6° |
| C16 | C9 | C6 | H3 | 156.0° | 58.4° |
| C16 | C9 | C6 | H4 | 38.0° | 61.6° |
| C16 | C9 | C10 | H5 | 136.7° | 143.4° |
| C16 | C9 | C10 | H6 | 101.6° | 93.1° |
| C9 | C16 | C17 | H8 | 1.3° | 0.2° |
| C16 | C9 | C72 | H37 | 44.8° | 58.3° |
| C16 | C9 | C72 | H38 | 163.4° | 61.6° |
| C10 | C9 | C16 | C17 | 168.6° | 164.1° |
| C10 | C9 | C16 | C15 | 11.9° | 16.0° |
| C9 | C10 | N13 | H5 | 119.1° | 118.2° |
| C9 | C10 | N13 | H6 | 119.2° | 118.3° |
| C9 | C10 | N13 | C15 | 18.8° | 26.6° |
| C10 | C9 | C6 | H3 | 43.1° | 55.5° |
| C10 | C9 | C6 | H4 | 74.9° | 175.4° |
| C9 | C10 | H5 | H6 | 122.5° | 123.5° |
| C9 | C10 | N13 | H7 | 101.5° | 95.3° |
| C10 | C9 | C72 | H37 | 64.6° | 55.6° |
| C10 | C9 | C72 | H38 | 54.0° | 175.5° |
| C16 | C17 | C19 | H8 | 180.0° | 179.9° |
| C16 | C17 | C19 | C24 | 179.2° | 180.0° |
| C16 | C17 | C19 | C20 | 0.2° | 0.0° |
| C17 | C16 | C15 | N13 | 179.2° | 179.5° |
| C17 | C16 | C15 | C22 | 0.9° | 0.4° |
| C19 | C17 | C16 | C15 | 0.7° | 0.3° |
| C17 | C19 | C24 | C20 | 179.4° | 180.0° |
| C17 | C19 | C24 | C27 | 103.0° | 90.0° |
| C17 | C19 | C20 | C22 | 0.1° | 0.1° |
| C17 | C19 | C20 | H9 | 179.9° | 179.9° |
| C17 | C19 | C24 | H10 | 136.3° | 150.0° |
| C17 | C19 | C24 | H11 | 17.6° | 30.0° |
| C16 | C15 | N13 | C10 | 11.6° | 17.7° |
| C16 | C15 | N13 | C22 | 179.9° | 180.0° |
| C16 | C15 | C22 | C20 | 0.6° | 0.3° |
| C16 | C15 | C22 | F23 | 179.3° | 179.8° |
| C16 | C15 | N13 | H7 | 108.7° | 104.1° |
| C15 | C16 | C17 | H8 | 179.3° | 179.8° |
| C19 | C24 | C27 | H10 | 120.6° | 120.0° |
| C19 | C24 | C27 | H11 | 120.6° | 120.0° |
| C19 | C24 | C27 | C37 | 53.9° | 64.8° |
| C19 | C24 | C27 | C29 | 177.6° | 174.8° |
| C24 | C19 | C20 | C22 | 179.5° | 179.9° |
| C24 | C19 | C17 | H8 | 0.8° | 0.1° |
| C24 | C19 | C20 | H9 | 0.5° | 0.1° |
| C19 | C24 | H10 | H11 | 118.0° | 120.0° |
| C19 | C24 | C27 | H12 | 62.1° | 55.0° |
| C24 | C27 | C37 | C29 | 129.2° | 120.1° |
| C24 | C27 | C37 | H12 | 116.0° | 119.8° |
| C24 | C27 | C37 | S36 | 161.7° | 176.1° |
| C24 | C27 | C29 | O70 | 58.3° | 49.6° |
| C24 | C27 | C29 | H12 | 120.3° | 119.8° |
| C24 | C27 | C29 | C31 | 174.2° | 169.9° |
| C27 | C24 | C19 | C20 | 76.4° | 90.0° |
| C27 | C24 | H10 | H11 | 118.1° | 120.0° |
| C24 | C27 | C29 | H13 | 65.6° | 69.9° |
| C24 | C27 | C37 | H17 | 78.5° | 64.0° |
| C24 | C27 | C37 | H18 | 41.9° | 56.4° |
| C27 | C37 | S36 | H17 | 119.8° | 119.9° |
| C27 | C37 | S36 | H18 | 119.8° | 119.8° |
| C37 | C27 | C29 | O70 | 176.9° | 169.7° |
| C37 | C27 | C29 | H12 | 114.8° | 120.1° |
| C37 | C27 | C29 | C31 | 60.9° | 70.0° |
| C27 | C37 | S36 | C33 | 67.2° | 54.4° |
| C27 | C37 | S36 | O41 | 179.4° | 168.8° |
| C27 | C37 | S36 | O40 | 49.6° | 59.9° |
| C37 | C27 | C24 | H10 | 174.5° | 175.2° |
| C37 | C27 | C24 | H11 | 66.7° | 55.2° |
| C37 | C27 | C29 | H13 | 59.2° | 50.2° |
| C27 | C37 | H17 | H18 | 120.5° | 120.3° |
| S36 | C37 | C27 | C29 | 69.1° | 63.8° |
| C37 | S36 | C33 | C31 | 60.2° | 54.3° |
| C37 | S36 | C33 | O41 | 113.9° | 114.4° |
| C37 | S36 | C33 | O40 | 114.5° | 114.4° |
| C37 | S36 | O41 | O40 | 125.8° | 125.4° |
| S36 | C37 | C27 | H12 | 45.8° | 56.3° |
| C37 | S36 | C33 | H15 | 179.9° | 174.2° |
| C37 | S36 | C33 | H16 | 59.4° | 65.5° |
| S36 | C37 | H17 | H18 | 120.5° | 120.2° |
| O70 | C29 | C27 | C31 | 115.9° | 120.3° |
| O70 | C29 | C27 | H13 | 123.9° | 119.5° |
| O70 | C29 | C31 | H13 | 117.0° | 119.5° |
| O70 | C29 | C31 | C33 | 177.9° | 169.7° |
| O70 | C29 | C31 | N42 | 49.2° | 49.7° |
| O70 | C29 | C27 | H12 | 62.0° | 70.2° |
| O70 | C29 | C31 | H14 | 66.4° | 70.1° |
| C27 | C29 | C31 | H13 | 120.1° | 120.2° |
| C27 | C29 | C31 | C33 | 59.2° | 70.0° |
| C27 | C29 | C31 | N42 | 172.2° | 170.0° |
| C29 | C27 | C24 | H10 | 61.8° | 54.8° |
| C29 | C27 | C24 | H11 | 57.0° | 65.2° |
| C27 | C29 | C31 | H14 | 56.6° | 50.2° |
| C29 | C27 | C37 | H17 | 50.7° | 56.2° |
| C29 | C27 | C37 | H18 | 171.1° | 176.5° |
| C27 | C29 | O70 | H36 | 180.0° | 174.0° |
| C29 | C31 | C33 | N42 | 129.7° | 120.1° |
| C29 | C31 | C33 | H14 | 115.7° | 120.2° |
| C29 | C31 | C33 | S36 | 60.7° | 63.7° |
| C29 | C31 | N42 | H14 | 115.1° | 119.7° |
| C29 | C31 | N42 | C44 | 164.7° | 63.4° |
| C31 | C29 | C27 | H12 | 53.9° | 50.1° |
| C29 | C31 | C33 | H15 | 179.7° | 176.5° |
| C29 | C31 | C33 | H16 | 58.9° | 56.2° |
| C29 | C31 | N42 | H19 | 43.0° | 172.7° |
| C31 | C29 | O70 | H36 | 58.7° | 64.9° |
| C10 | N13 | C15 | H7 | 120.3° | 121.9° |
| C10 | N13 | C15 | C22 | 168.4° | 162.3° |
| N13 | C10 | H5 | H6 | 122.5° | 123.5° |
| C19 | C20 | C22 | C15 | 0.1° | 0.0° |
| C19 | C20 | C22 | H9 | 180.0° | 180.0° |
| C19 | C20 | C22 | F23 | 179.8° | 180.0° |
| C20 | C19 | C17 | H8 | 179.8° | 179.9° |
| C20 | C19 | C24 | H10 | 44.2° | 30.0° |
| C20 | C19 | C24 | H11 | 162.9° | 150.0° |
| C31 | C33 | S36 | H15 | 119.6° | 119.9° |
| C31 | C33 | S36 | H16 | 119.6° | 119.9° |
| C33 | C31 | N42 | H14 | 114.1° | 119.8° |
| C33 | C31 | N42 | C44 | 64.5° | 57.1° |
| C31 | C33 | S36 | O41 | 174.1° | 168.7° |
| C31 | C33 | S36 | O40 | 54.2° | 60.0° |
| C33 | C31 | C29 | H13 | 60.9° | 50.2° |
| C31 | C33 | H15 | H16 | 121.0° | 120.3° |
| C33 | C31 | N42 | H19 | 173.7° | 66.8° |
| S36 | C33 | C31 | N42 | 169.6° | 176.3° |
| C33 | S36 | O41 | O40 | 128.0° | 125.2° |
| S36 | C33 | C31 | H14 | 55.0° | 56.5° |
| S36 | C33 | H15 | H16 | 121.1° | 120.2° |
| C33 | S36 | C37 | H17 | 52.6° | 65.5° |
| C33 | S36 | C37 | H18 | 173.0° | 174.2° |
| C31 | N42 | C44 | H19 | 121.8° | 123.9° |
| C31 | N42 | C44 | C47 | 61.9° | 180.0° |
| N42 | C31 | C29 | H13 | 67.7° | 69.8° |
| N42 | C31 | C33 | H15 | 50.0° | 56.4° |
| N42 | C31 | C33 | H16 | 70.7° | 63.9° |
| C31 | N42 | C44 | H21 | 178.4° | 60.0° |
| C31 | N42 | C44 | H22 | 57.8° | 59.9° |
| N42 | C44 | C47 | H21 | 119.7° | 120.0° |
| N42 | C44 | C47 | H22 | 119.7° | 120.1° |
| N42 | C44 | C47 | C48 | 66.2° | 90.0° |
| N42 | C44 | C47 | C55 | 113.6° | 90.3° |
| C44 | N42 | C31 | H14 | 49.6° | 176.8° |
| N42 | C44 | H21 | H22 | 120.9° | 120.0° |
| O41 | S36 | C33 | H15 | 66.3° | 71.4° |
| O41 | S36 | C33 | H16 | 54.5° | 48.9° |
| O41 | S36 | C37 | H17 | 59.5° | 48.9° |
| O41 | S36 | C37 | H18 | 60.8° | 71.4° |
| O40 | S36 | C33 | H15 | 65.4° | 59.8° |
| O40 | S36 | C33 | H16 | 173.8° | 179.9° |
| O40 | S36 | C37 | H17 | 169.4° | 179.8° |
| O40 | S36 | C37 | H18 | 70.3° | 59.9° |
| N13 | C15 | C22 | C20 | 179.5° | 179.7° |
| N13 | C15 | C22 | F23 | 0.6° | 0.3° |
| C15 | N13 | C10 | H5 | 137.9° | 144.8° |
| C15 | N13 | C10 | H6 | 100.4° | 91.7° |
| C15 | C22 | C20 | F23 | 179.9° | 180.0° |
| C22 | C15 | N13 | H7 | 71.2° | 75.8° |
| C15 | C22 | C20 | H9 | 179.9° | 180.0° |
| C44 | C47 | C48 | C55 | 179.8° | 179.7° |
| C44 | C47 | C48 | C50 | 180.0° | 180.0° |
| C44 | C47 | C55 | C53 | 179.8° | 179.7° |
| C47 | C44 | N42 | H19 | 59.9° | 56.2° |
| C47 | C44 | H21 | H22 | 120.8° | 120.0° |
| C44 | C47 | C48 | H23 | 0.0° | 0.1° |
| C44 | C47 | C55 | H26 | 0.2° | 0.0° |
| F23 | C22 | C20 | H9 | 0.2° | 0.0° |
| C47 | C48 | C50 | H23 | 180.0° | 179.9° |
| C48 | C47 | C55 | C53 | 0.0° | 0.6° |
| C47 | C48 | C50 | C57 | 179.6° | 180.0° |
| C47 | C48 | C50 | C51 | 0.4° | 0.0° |
| C48 | C47 | C44 | H21 | 53.5° | 30.0° |
| C48 | C47 | C44 | H22 | 174.0° | 149.9° |
| C48 | C47 | C55 | H26 | 180.0° | 179.7° |
| C55 | C47 | C48 | C50 | 0.2° | 0.3° |
| C47 | C55 | C53 | H26 | 180.0° | 179.7° |
| C47 | C55 | C53 | C51 | 0.0° | 0.6° |
| C55 | C47 | C44 | H21 | 126.7° | 149.7° |
| C55 | C47 | C44 | H22 | 6.2° | 29.8° |
| C55 | C47 | C48 | H23 | 179.8° | 179.8° |
| C47 | C55 | C53 | H25 | 180.0° | 179.6° |
| C48 | C50 | C57 | C66 | 64.0° | 180.0° |
| C48 | C50 | C57 | C51 | 180.0° | 180.0° |
| C48 | C50 | C57 | C58 | 57.1° | 60.0° |
| C48 | C50 | C57 | C62 | 176.9° | 60.0° |
| C48 | C50 | C51 | C53 | 0.4° | 0.0° |
| C48 | C50 | C51 | H24 | 179.6° | 179.9° |
| C55 | C53 | C51 | C50 | 0.2° | 0.3° |
| C55 | C53 | C51 | H25 | 180.0° | 179.8° |
| C55 | C53 | C51 | H24 | 179.8° | 179.8° |
| C66 | C57 | C50 | C58 | 121.1° | 120.0° |
| C66 | C57 | C50 | C62 | 119.1° | 120.0° |
| C66 | C57 | C50 | C51 | 116.0° | 0.0° |
| C66 | C57 | C58 | C62 | 113.6° | 120.0° |
| C66 | C57 | C58 | H27 | 180.0° | 180.0° |
| C66 | C57 | C58 | H28 | 60.0° | 60.0° |
| C66 | C57 | C58 | H29 | 60.0° | 60.0° |
| C66 | C57 | C62 | H30 | 180.0° | 60.0° |
| C66 | C57 | C62 | H31 | 60.0° | 60.0° |
| C66 | C57 | C62 | H32 | 60.0° | 180.0° |
| C57 | C66 | H33 | H34 | 120.0° | 120.0° |
| C57 | C66 | H33 | H35 | 120.0° | 120.0° |
| C57 | C66 | H34 | H35 | 120.0° | 120.0° |
| C50 | C57 | C58 | C62 | 123.6° | 120.0° |
| C57 | C50 | C51 | C53 | 179.6° | 180.0° |
| C57 | C50 | C48 | H23 | 0.4° | 0.0° |
| C57 | C50 | C51 | H24 | 0.4° | 0.0° |
| C50 | C57 | C58 | H27 | 57.3° | 60.0° |
| C50 | C57 | C58 | H28 | 177.2° | 180.0° |
| C50 | C57 | C58 | H29 | 62.7° | 60.0° |
| C50 | C57 | C62 | H30 | 56.6° | 60.0° |
| C50 | C57 | C62 | H31 | 63.4° | 180.0° |
| C50 | C57 | C62 | H32 | 176.6° | 60.0° |
| C50 | C57 | C66 | H33 | 180.0° | 60.0° |
| C50 | C57 | C66 | H34 | 60.0° | 180.0° |
| C50 | C57 | C66 | H35 | 60.0° | 60.0° |
| C51 | C50 | C57 | C58 | 122.9° | 120.0° |
| C51 | C50 | C57 | C62 | 3.1° | 120.0° |
| C50 | C51 | C53 | H24 | 180.0° | 180.0° |
| C51 | C50 | C48 | H23 | 179.6° | 179.9° |
| C50 | C51 | C53 | H25 | 179.8° | 179.9° |
| C57 | C58 | H27 | H28 | 120.0° | 120.0° |
| C57 | C58 | H27 | H29 | 120.0° | 120.0° |
| C57 | C58 | H28 | H29 | 120.0° | 120.0° |
| C58 | C57 | C62 | H30 | 63.1° | 180.0° |
| C58 | C57 | C62 | H31 | 176.9° | 60.0° |
| C58 | C57 | C62 | H32 | 56.9° | 60.1° |
| C58 | C57 | C66 | H33 | 60.1° | 60.0° |
| C58 | C57 | C66 | H34 | 179.9° | 60.0° |
| C58 | C57 | C66 | H35 | 59.9° | 180.0° |
| C62 | C57 | C58 | H27 | 66.4° | 60.0° |
| C62 | C57 | C58 | H28 | 53.6° | 60.0° |
| C62 | C57 | C58 | H29 | 173.6° | 180.0° |
| C57 | C62 | H30 | H31 | 120.0° | 120.1° |
| C57 | C62 | H30 | H32 | 120.0° | 119.9° |
| C57 | C62 | H31 | H32 | 120.0° | 120.0° |
| C62 | C57 | C66 | H33 | 55.6° | 180.0° |
| C62 | C57 | C66 | H34 | 64.4° | 60.0° |
| C62 | C57 | C66 | H35 | 175.6° | 60.0° |
| C51 | C53 | C55 | H26 | 180.0° | 179.8° |
| H1 | C3 | C6 | H3 | 37.6° | 58.9° |
| H1 | C3 | C6 | H4 | 80.4° | 178.9° |
| H2 | C3 | C6 | H3 | 155.8° | 61.2° |
| H2 | C3 | C6 | H4 | 37.8° | 58.8° |
| H5 | C10 | N13 | H7 | 17.6° | 23.0° |
| H6 | C10 | N13 | H7 | 139.3° | 146.5° |
| H10 | C24 | C27 | H12 | 58.5° | 65.0° |
| H11 | C24 | C27 | H12 | 177.3° | 175.0° |
| H12 | C27 | C29 | H13 | 174.1° | 170.3° |
| H12 | C27 | C37 | H17 | 165.6° | 176.3° |
| H12 | C27 | C37 | H18 | 74.0° | 63.4° |
| H13 | C29 | C31 | H14 | 176.7° | 170.5° |
| H13 | C29 | O70 | H36 | 57.0° | 54.5° |
| H14 | C31 | C33 | H15 | 64.6° | 63.4° |
| H14 | C31 | C33 | H16 | 174.7° | 176.3° |
| H14 | C31 | N42 | H19 | 72.2° | 52.9° |
| H19 | N42 | C44 | H21 | 59.8° | 176.1° |
| H19 | N42 | C44 | H22 | 179.6° | 63.9° |
| H24 | C51 | C53 | H25 | 0.2° | 0.0° |
| H25 | C53 | C55 | H26 | 0.0° | 0.0° |
| H27 | C58 | H28 | H29 | 120.0° | 120.0° |
| H30 | C62 | H31 | H32 | 120.0° | 120.0° |
| H33 | C66 | H34 | H35 | 120.0° | 120.0° |
| H37 | C72 | C75 | H39 | 55.3° | 61.0° |
| H37 | C72 | C75 | H40 | 64.1° | 59.0° |
| H38 | C72 | C75 | H39 | 173.9° | 58.8° |
| H38 | C72 | C75 | H40 | 54.5° | 178.9° |
