FQ1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C27 | sing | 1.43Å | 1.42Å | |
| O01 | C02 | sing | 1.42Å | 1.41Å | |
| C27 | O28 | sing | 1.45Å | 1.40Å | |
| C27 | C31 | sing | 1.54Å | 1.57Å | |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| O28 | C29 | sing | 1.43Å | 1.41Å | |
| C01 | C24 | sing | 1.53Å | 1.52Å | |
| C31 | C30 | sing | 1.54Å | 1.54Å | |
| C31 | C24 | sing | 1.51Å | 1.56Å | |
| C29 | C30 | sing | 1.55Å | 1.56Å | |
| C24 | O23 | sing | 1.45Å | 1.41Å | |
| O23 | C21 | sing | 1.35Å | 1.36Å | |
| F02 | C34 | sing | 1.35Å | 1.29Å | |
| C21 | O22 | doub | 1.22Å | 1.23Å | |
| C21 | N20 | sing | 1.35Å | 1.39Å | |
| C34 | C09 | doub | 1.38Å | 1.42Å | Aromatic |
| C34 | C08 | sing | 1.38Å | 1.41Å | Aromatic |
| N20 | C19 | sing | 1.47Å | 1.45Å | |
| C09 | C33 | sing | 1.38Å | 1.41Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | F01 | sing | 1.35Å | 1.29Å | |
| C33 | C06 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C13 | sing | 1.53Å | 1.54Å | |
| C07 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| C07 | C32 | sing | 1.51Å | 1.48Å | |
| C19 | C17 | sing | 1.53Å | 1.56Å | |
| C19 | C32 | sing | 1.53Å | 1.53Å | |
| O18 | C17 | sing | 1.43Å | 1.38Å | |
| C17 | C16 | sing | 1.53Å | 1.58Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.56Å | |
| C16 | N11 | sing | 1.46Å | 1.54Å | |
| N11 | C12 | sing | 1.46Å | 1.50Å | |
| N11 | S8 | sing | 1.66Å | 1.73Å | |
| O10 | S8 | doub | 1.42Å | 1.42Å | |
| O9 | S8 | doub | 1.42Å | 1.43Å | |
| S8 | C5 | sing | 1.76Å | 1.81Å | |
| C5 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C2 | doub | 1.39Å | 1.42Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | O03 | sing | 1.36Å | 1.35Å | |
| O03 | C04 | sing | 1.43Å | 1.43Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.08Å | 1.08Å | |
| C6 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C01 | H18 | sing | 1.09Å | 1.10Å | |
| C01 | H19 | sing | 1.09Å | 1.10Å | |
| C02 | H20 | sing | 1.09Å | 1.10Å | |
| C02 | H21 | sing | 1.09Å | 1.10Å | |
| C04 | H22 | sing | 1.09Å | 1.10Å | |
| C04 | H23 | sing | 1.09Å | 1.10Å | |
| C04 | H24 | sing | 1.09Å | 1.10Å | |
| C06 | H25 | sing | 1.08Å | 1.08Å | |
| C08 | H26 | sing | 1.08Å | 1.08Å | |
| C09 | H27 | sing | 1.08Å | 1.08Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| N20 | H37 | sing | 0.97Å | 1.00Å | |
| O18 | H38 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | O01 | C02 | 119.1° | 116.0° |
| O01 | C27 | O28 | 111.8° | 106.3° |
| O01 | C27 | C31 | 116.5° | 110.8° |
| O01 | C27 | H29 | 107.5° | 112.2° |
| O01 | C02 | C01 | 113.0° | 108.4° |
| O01 | C02 | H20 | 108.6° | 109.7° |
| O01 | C02 | H21 | 108.6° | 109.7° |
| O28 | C27 | C31 | 106.9° | 103.8° |
| C27 | O28 | C29 | 111.1° | 109.5° |
| O28 | C27 | H29 | 107.8° | 111.7° |
| C27 | C31 | C30 | 99.7° | 101.5° |
| C27 | C31 | C24 | 112.1° | 113.0° |
| C31 | C27 | H29 | 105.9° | 111.6° |
| C27 | C31 | H34 | 110.1° | 109.9° |
| C02 | C01 | C24 | 108.6° | 107.9° |
| C02 | C01 | H18 | 109.7° | 109.8° |
| C02 | C01 | H19 | 109.7° | 109.9° |
| C01 | C02 | H20 | 108.6° | 109.7° |
| C01 | C02 | H21 | 108.6° | 109.7° |
| O28 | C29 | C30 | 105.9° | 107.6° |
| O28 | C29 | H30 | 110.3° | 109.8° |
| O28 | C29 | H31 | 110.3° | 109.9° |
| C01 | C24 | C31 | 108.3° | 111.0° |
| C01 | C24 | O23 | 109.9° | 109.2° |
| C24 | C01 | H18 | 109.7° | 109.8° |
| C24 | C01 | H19 | 109.7° | 109.8° |
| C01 | C24 | H28 | 110.2° | 109.2° |
| C30 | C31 | C24 | 113.6° | 112.0° |
| C31 | C30 | C29 | 106.1° | 101.5° |
| C31 | C30 | H32 | 110.3° | 111.0° |
| C31 | C30 | H33 | 110.3° | 111.0° |
| C30 | C31 | H34 | 110.6° | 109.9° |
| C31 | C24 | O23 | 106.7° | 109.2° |
| C31 | C24 | H28 | 109.7° | 109.2° |
| C24 | C31 | H34 | 110.3° | 110.3° |
| C30 | C29 | H30 | 110.3° | 109.8° |
| C30 | C29 | H31 | 110.3° | 109.8° |
| C29 | C30 | H32 | 110.3° | 111.0° |
| C29 | C30 | H33 | 110.3° | 111.0° |
| C24 | O23 | C21 | 122.4° | 117.0° |
| O23 | C24 | H28 | 111.9° | 109.2° |
| O23 | C21 | O22 | 118.1° | 119.9° |
| O23 | C21 | N20 | 119.7° | 120.0° |
| F02 | C34 | C09 | 119.4° | 120.0° |
| F02 | C34 | C08 | 120.6° | 120.0° |
| O22 | C21 | N20 | 122.2° | 120.0° |
| C21 | N20 | C19 | 125.5° | 120.0° |
| C21 | N20 | H37 | 117.3° | 120.0° |
| C09 | C34 | C08 | 119.9° | 120.0° |
| C34 | C09 | C33 | 119.0° | 120.0° |
| C34 | C09 | H27 | 120.5° | 120.0° |
| C34 | C08 | C07 | 120.8° | 120.0° |
| C34 | C08 | H26 | 119.6° | 120.0° |
| N20 | C19 | C17 | 109.4° | 109.4° |
| N20 | C19 | C32 | 108.3° | 109.5° |
| N20 | C19 | H8 | 109.8° | 109.5° |
| C19 | N20 | H37 | 117.2° | 120.0° |
| C09 | C33 | F01 | 119.7° | 120.0° |
| C09 | C33 | C06 | 120.3° | 120.0° |
| C33 | C09 | H27 | 120.5° | 120.0° |
| C08 | C07 | C06 | 118.8° | 120.0° |
| C08 | C07 | C32 | 122.1° | 120.0° |
| C07 | C08 | H26 | 119.6° | 120.0° |
| F01 | C33 | C06 | 120.0° | 120.0° |
| C33 | C06 | C07 | 121.1° | 120.0° |
| C33 | C06 | H25 | 119.5° | 120.0° |
| C15 | C13 | C14 | 110.4° | 109.5° |
| C15 | C13 | C12 | 113.8° | 109.5° |
| C13 | C15 | H3 | 109.5° | 109.5° |
| C13 | C15 | H4 | 109.4° | 109.5° |
| C13 | C15 | H5 | 109.5° | 109.5° |
| C15 | C13 | H15 | 107.6° | 109.5° |
| C06 | C07 | C32 | 119.1° | 120.0° |
| C07 | C06 | H25 | 119.4° | 120.0° |
| C07 | C32 | C19 | 112.4° | 109.4° |
| C07 | C32 | H35 | 108.7° | 109.5° |
| C07 | C32 | H36 | 108.7° | 109.5° |
| C17 | C19 | C32 | 112.4° | 109.5° |
| C19 | C17 | O18 | 107.1° | 109.5° |
| C19 | C17 | C16 | 113.3° | 109.5° |
| C17 | C19 | H8 | 108.4° | 109.4° |
| C19 | C17 | H9 | 108.4° | 109.5° |
| C32 | C19 | H8 | 108.7° | 109.5° |
| C19 | C32 | H35 | 108.7° | 109.4° |
| C19 | C32 | H36 | 108.7° | 109.5° |
| O18 | C17 | C16 | 109.0° | 109.5° |
| O18 | C17 | H9 | 110.9° | 109.4° |
| C17 | O18 | H38 | 109.5° | 114.0° |
| C17 | C16 | N11 | 113.6° | 109.4° |
| C17 | C16 | H6 | 108.4° | 109.5° |
| C17 | C16 | H7 | 108.4° | 109.4° |
| C16 | C17 | H9 | 108.2° | 109.5° |
| C14 | C13 | C12 | 109.8° | 109.5° |
| C13 | C14 | H10 | 109.5° | 109.5° |
| C13 | C14 | H11 | 109.5° | 109.5° |
| C13 | C14 | H12 | 109.5° | 109.5° |
| C14 | C13 | H15 | 107.7° | 109.5° |
| C13 | C12 | N11 | 118.8° | 109.5° |
| C12 | C13 | H15 | 107.3° | 109.4° |
| C13 | C12 | H16 | 107.1° | 109.5° |
| C13 | C12 | H17 | 107.1° | 109.4° |
| C16 | N11 | C12 | 111.5° | 120.0° |
| C16 | N11 | S8 | 119.7° | 120.0° |
| N11 | C16 | H6 | 108.4° | 109.5° |
| N11 | C16 | H7 | 108.4° | 109.5° |
| C12 | N11 | S8 | 117.8° | 120.0° |
| N11 | C12 | H16 | 107.1° | 109.5° |
| N11 | C12 | H17 | 107.1° | 109.5° |
| N11 | S8 | O10 | 109.8° | 106.4° |
| N11 | S8 | O9 | 108.8° | 106.4° |
| N11 | S8 | C5 | 106.1° | 107.2° |
| O10 | S8 | O9 | 112.0° | 123.2° |
| O10 | S8 | C5 | 111.3° | 106.4° |
| O9 | S8 | C5 | 108.6° | 106.4° |
| S8 | C5 | C6 | 123.1° | 119.9° |
| S8 | C5 | C4 | 123.8° | 119.9° |
| C6 | C5 | C4 | 113.1° | 120.2° |
| C5 | C6 | C7 | 123.9° | 120.0° |
| C5 | C6 | H14 | 118.1° | 120.0° |
| C5 | C4 | C3 | 125.4° | 120.0° |
| C5 | C4 | H2 | 117.3° | 120.0° |
| C6 | C7 | C2 | 120.9° | 120.0° |
| C6 | C7 | H13 | 119.5° | 120.0° |
| C7 | C6 | H14 | 118.0° | 120.0° |
| C4 | C3 | C2 | 119.9° | 120.0° |
| C4 | C3 | H1 | 120.0° | 120.0° |
| C3 | C4 | H2 | 117.3° | 120.0° |
| C7 | C2 | C3 | 116.8° | 119.9° |
| C7 | C2 | O03 | 120.5° | 120.1° |
| C2 | C7 | H13 | 119.6° | 120.0° |
| C3 | C2 | O03 | 122.7° | 120.0° |
| C2 | C3 | H1 | 120.1° | 120.1° |
| C2 | O03 | C04 | 118.6° | 117.0° |
| O03 | C04 | H22 | 109.5° | 109.5° |
| O03 | C04 | H23 | 109.5° | 109.5° |
| O03 | C04 | H24 | 109.5° | 109.5° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H3 | C15 | H5 | 109.5° | 109.4° |
| H4 | C15 | H5 | 109.5° | 109.5° |
| H6 | C16 | H7 | 109.5° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H10 | C14 | H12 | 109.4° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.4° |
| H18 | C01 | H19 | 109.5° | 109.8° |
| H20 | C02 | H21 | 109.4° | 109.7° |
| H22 | C04 | H23 | 109.4° | 109.5° |
| H22 | C04 | H24 | 109.5° | 109.5° |
| H23 | C04 | H24 | 109.5° | 109.5° |
| H30 | C29 | H31 | 109.5° | 109.8° |
| H32 | C30 | H33 | 109.5° | 111.0° |
| H35 | C32 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C27 | O28 | C31 | 128.6° | 117.0° |
| O01 | C27 | O28 | H29 | 118.0° | 122.7° |
| O01 | C27 | C31 | H29 | 119.4° | 125.9° |
| C27 | O01 | C02 | C01 | 45.7° | 63.0° |
| O01 | C27 | O28 | C29 | 157.6° | 89.5° |
| O01 | C27 | C31 | C30 | 157.8° | 74.4° |
| O01 | C27 | C31 | C24 | 37.3° | 45.7° |
| C27 | O01 | C02 | H20 | 74.8° | 56.8° |
| C27 | O01 | C02 | H21 | 166.3° | 177.3° |
| O01 | C27 | C31 | H34 | 85.9° | 169.2° |
| C02 | O01 | C27 | O28 | 88.3° | 166.2° |
| C02 | O01 | C27 | C31 | 35.0° | 54.0° |
| O01 | C02 | C01 | H20 | 120.6° | 119.7° |
| O01 | C02 | C01 | H21 | 120.5° | 119.7° |
| O01 | C02 | C01 | C24 | 59.0° | 61.6° |
| O01 | C02 | C01 | H18 | 178.9° | 58.0° |
| O01 | C02 | C01 | H19 | 60.8° | 178.7° |
| O01 | C02 | H20 | H21 | 118.4° | 120.6° |
| C02 | O01 | C27 | H29 | 153.6° | 71.5° |
| O28 | C27 | C31 | H29 | 114.7° | 120.4° |
| O28 | C27 | C31 | C30 | 32.0° | 39.3° |
| O28 | C27 | C31 | C24 | 88.6° | 159.4° |
| C27 | O28 | C29 | C30 | 12.6° | 4.1° |
| C27 | O28 | C29 | H30 | 106.8° | 115.4° |
| C27 | O28 | C29 | H31 | 132.1° | 123.6° |
| O28 | C27 | C31 | H34 | 148.3° | 77.0° |
| C31 | C27 | O28 | C29 | 29.0° | 27.4° |
| C27 | C31 | C24 | C01 | 51.0° | 49.3° |
| C27 | C31 | C30 | C24 | 119.5° | 120.8° |
| C27 | C31 | C30 | H34 | 115.9° | 116.3° |
| C27 | C31 | C24 | H34 | 123.1° | 123.4° |
| C27 | C31 | C30 | C29 | 23.7° | 35.7° |
| C27 | C31 | C24 | O23 | 67.2° | 169.6° |
| C27 | C31 | C24 | H28 | 171.4° | 71.1° |
| C27 | C31 | C30 | H32 | 143.2° | 153.8° |
| C27 | C31 | C30 | H33 | 95.8° | 82.3° |
| C02 | C01 | C24 | H18 | 119.8° | 119.6° |
| C02 | C01 | C24 | H19 | 119.9° | 119.7° |
| C02 | C01 | C24 | C31 | 61.2° | 56.6° |
| C02 | C01 | C24 | O23 | 55.0° | 176.9° |
| C02 | C01 | H18 | H19 | 120.4° | 120.8° |
| C01 | C02 | H20 | H21 | 118.4° | 120.5° |
| C02 | C01 | C24 | H28 | 178.8° | 63.8° |
| O28 | C29 | C30 | C31 | 8.9° | 20.7° |
| O28 | C29 | C30 | H30 | 119.4° | 119.5° |
| O28 | C29 | C30 | H31 | 119.4° | 119.6° |
| C29 | O28 | C27 | H29 | 84.4° | 147.7° |
| O28 | C29 | H30 | H31 | 121.6° | 121.0° |
| O28 | C29 | C30 | H32 | 128.3° | 138.8° |
| O28 | C29 | C30 | H33 | 110.6° | 97.3° |
| C01 | C24 | C31 | C30 | 163.1° | 64.6° |
| C01 | C24 | C31 | O23 | 118.3° | 120.3° |
| C01 | C24 | C31 | H28 | 120.4° | 120.4° |
| C01 | C24 | O23 | H28 | 122.8° | 119.2° |
| C01 | C24 | O23 | C21 | 109.1° | 90.0° |
| C24 | C01 | H18 | H19 | 120.4° | 120.8° |
| C24 | C01 | C02 | H20 | 61.5° | 58.1° |
| C24 | C01 | C02 | H21 | 179.5° | 178.7° |
| C01 | C24 | C31 | H34 | 72.1° | 172.7° |
| C30 | C31 | C24 | H34 | 124.8° | 122.7° |
| C31 | C30 | C29 | H32 | 119.5° | 118.1° |
| C31 | C30 | C29 | H33 | 119.5° | 118.0° |
| C30 | C31 | C24 | O23 | 44.9° | 55.7° |
| C30 | C31 | C24 | H28 | 76.5° | 175.0° |
| C30 | C31 | C27 | H29 | 82.7° | 159.7° |
| C31 | C30 | C29 | H30 | 128.3° | 140.2° |
| C31 | C30 | C29 | H31 | 110.5° | 99.0° |
| C31 | C30 | H32 | H33 | 121.6° | 123.9° |
| C24 | C31 | C30 | C29 | 95.7° | 156.5° |
| C31 | C24 | O23 | H28 | 120.0° | 119.3° |
| C31 | C24 | O23 | C21 | 133.7° | 148.5° |
| C31 | C24 | C01 | H18 | 179.0° | 63.0° |
| C31 | C24 | C01 | H19 | 58.7° | 176.2° |
| C24 | C31 | C27 | H29 | 156.7° | 80.2° |
| C24 | C31 | C30 | H32 | 23.7° | 85.4° |
| C24 | C31 | C30 | H33 | 144.8° | 38.5° |
| C30 | C29 | H30 | H31 | 121.6° | 120.8° |
| C29 | C30 | H32 | H33 | 121.5° | 123.9° |
| C29 | C30 | C31 | H34 | 139.6° | 80.6° |
| C24 | O23 | C21 | O22 | 6.8° | 0.0° |
| C24 | O23 | C21 | N20 | 173.4° | 180.0° |
| O23 | C24 | C01 | H18 | 64.9° | 57.3° |
| O23 | C24 | C01 | H19 | 174.9° | 63.4° |
| O23 | C24 | C31 | H34 | 169.7° | 67.0° |
| O23 | C21 | O22 | N20 | 179.8° | 180.0° |
| O23 | C21 | N20 | C19 | 170.7° | 180.0° |
| C21 | O23 | C24 | H28 | 13.7° | 29.2° |
| O23 | C21 | N20 | H37 | 9.3° | 0.0° |
| F02 | C34 | C09 | C08 | 179.9° | 179.8° |
| F02 | C34 | C09 | C33 | 180.0° | 179.9° |
| F02 | C34 | C08 | C07 | 179.4° | 179.9° |
| F02 | C34 | C08 | H26 | 0.6° | 0.0° |
| F02 | C34 | C09 | H27 | 0.0° | 0.1° |
| O22 | C21 | N20 | C19 | 9.5° | 0.0° |
| O22 | C21 | N20 | H37 | 170.4° | 180.0° |
| C21 | N20 | C19 | H37 | 180.0° | 180.0° |
| C21 | N20 | C19 | C17 | 125.0° | 155.0° |
| C21 | N20 | C19 | C32 | 112.2° | 85.0° |
| C21 | N20 | C19 | H8 | 6.3° | 35.0° |
| C34 | C09 | C33 | H27 | 180.0° | 180.0° |
| C09 | C34 | C08 | C07 | 0.4° | 0.3° |
| C34 | C09 | C33 | F01 | 179.9° | 180.0° |
| C34 | C09 | C33 | C06 | 0.1° | NaN° |
| C09 | C34 | C08 | H26 | 179.5° | 179.7° |
| C08 | C34 | C09 | C33 | 0.1° | 0.3° |
| C34 | C08 | C07 | H26 | 180.0° | 180.0° |
| C34 | C08 | C07 | C06 | 1.0° | 0.0° |
| C34 | C08 | C07 | C32 | 179.1° | 180.0° |
| C08 | C34 | C09 | H27 | 179.9° | 179.7° |
| N20 | C19 | C32 | C07 | 52.3° | 65.0° |
| N20 | C19 | C17 | C32 | 120.2° | 120.0° |
| N20 | C19 | C17 | H8 | 119.6° | 120.0° |
| N20 | C19 | C32 | H8 | 119.2° | 120.0° |
| N20 | C19 | C17 | O18 | 75.8° | 65.0° |
| N20 | C19 | C17 | C16 | 164.0° | 175.0° |
| N20 | C19 | C17 | H9 | 44.0° | 55.0° |
| N20 | C19 | C32 | H35 | 172.7° | 55.0° |
| N20 | C19 | C32 | H36 | 68.2° | 175.0° |
| C09 | C33 | F01 | C06 | 180.0° | 180.0° |
| C09 | C33 | C06 | C07 | 0.5° | 0.3° |
| C09 | C33 | C06 | H25 | 179.5° | 180.0° |
| C08 | C07 | C06 | C33 | 1.0° | 0.3° |
| C08 | C07 | C06 | C32 | 178.2° | 179.9° |
| C08 | C07 | C32 | C19 | 103.9° | 90.0° |
| C08 | C07 | C06 | H25 | 179.0° | 180.0° |
| C08 | C07 | C32 | H35 | 135.7° | 150.0° |
| C08 | C07 | C32 | H36 | 16.5° | 29.9° |
| F01 | C33 | C06 | C07 | 179.6° | 179.8° |
| F01 | C33 | C06 | H25 | 0.5° | 0.0° |
| F01 | C33 | C09 | H27 | 0.1° | 0.0° |
| C33 | C06 | C07 | H25 | 180.0° | 179.7° |
| C33 | C06 | C07 | C32 | 179.2° | 179.8° |
| C06 | C33 | C09 | H27 | 179.9° | 180.0° |
| C15 | C13 | C14 | C12 | 126.2° | 120.0° |
| C15 | C13 | C14 | H15 | 117.2° | 120.1° |
| C15 | C13 | C12 | H15 | 118.9° | 120.0° |
| C15 | C13 | C12 | N11 | 8.8° | 65.0° |
| C13 | C15 | H3 | H4 | 120.0° | 120.0° |
| C13 | C15 | H3 | H5 | 120.0° | 120.0° |
| C13 | C15 | H4 | H5 | 120.0° | 120.0° |
| C15 | C13 | C14 | H10 | 180.0° | 60.0° |
| C15 | C13 | C14 | H11 | 60.0° | 180.0° |
| C15 | C13 | C14 | H12 | 60.0° | 60.0° |
| C15 | C13 | C12 | H16 | 112.6° | 175.0° |
| C15 | C13 | C12 | H17 | 130.1° | 55.0° |
| C06 | C07 | C32 | C19 | 74.2° | 90.0° |
| C06 | C07 | C08 | H26 | 179.0° | 180.0° |
| C06 | C07 | C32 | H35 | 46.2° | 29.9° |
| C06 | C07 | C32 | H36 | 165.3° | 150.0° |
| C07 | C32 | C19 | C17 | 173.1° | 175.0° |
| C07 | C32 | C19 | H35 | 120.4° | 120.0° |
| C07 | C32 | C19 | H36 | 120.4° | 120.0° |
| C07 | C32 | C19 | H8 | 66.9° | 55.0° |
| C32 | C07 | C06 | H25 | 0.8° | 0.0° |
| C32 | C07 | C08 | H26 | 0.9° | 0.0° |
| C07 | C32 | H35 | H36 | 118.7° | 120.1° |
| C17 | C19 | C32 | H8 | 119.9° | 120.0° |
| C19 | C17 | O18 | C16 | 122.9° | 120.0° |
| C19 | C17 | O18 | H9 | 118.1° | 120.0° |
| C19 | C17 | C16 | H9 | 120.2° | 120.0° |
| C19 | C17 | C16 | N11 | 59.9° | 172.8° |
| C19 | C17 | C16 | H6 | 60.7° | 52.8° |
| C19 | C17 | C16 | H7 | 179.4° | 67.2° |
| C17 | C19 | C32 | H35 | 66.4° | 65.0° |
| C17 | C19 | C32 | H36 | 52.7° | 55.0° |
| C17 | C19 | N20 | H37 | 54.9° | 25.0° |
| C19 | C17 | O18 | H38 | 180.0° | 56.0° |
| C32 | C19 | C17 | O18 | 44.4° | 55.0° |
| C32 | C19 | C17 | C16 | 75.7° | 65.0° |
| C32 | C19 | C17 | H9 | 164.2° | 175.0° |
| C19 | C32 | H35 | H36 | 118.6° | 120.0° |
| C32 | C19 | N20 | H37 | 67.8° | 95.0° |
| O18 | C17 | C16 | H9 | 120.7° | 120.0° |
| O18 | C17 | C16 | N11 | 179.0° | 67.2° |
| O18 | C17 | C16 | H6 | 58.4° | 172.8° |
| O18 | C17 | C16 | H7 | 60.4° | 52.8° |
| O18 | C17 | C19 | H8 | 164.6° | 175.0° |
| C17 | C16 | N11 | H6 | 120.6° | 120.0° |
| C17 | C16 | N11 | H7 | 120.6° | 120.0° |
| C17 | C16 | N11 | C12 | 105.8° | 76.9° |
| C17 | C16 | N11 | S8 | 110.9° | 103.2° |
| C17 | C16 | H6 | H7 | 118.1° | 120.0° |
| C16 | C17 | C19 | H8 | 44.4° | 55.0° |
| C16 | C17 | O18 | H38 | 57.1° | 63.9° |
| C14 | C13 | C12 | H15 | 116.8° | 120.0° |
| C14 | C13 | C12 | N11 | 133.0° | 175.0° |
| C14 | C13 | C15 | H3 | 180.0° | 60.0° |
| C14 | C13 | C15 | H4 | 60.0° | 60.0° |
| C14 | C13 | C15 | H5 | 60.0° | 180.0° |
| C13 | C14 | H10 | H11 | 120.0° | 120.0° |
| C13 | C14 | H10 | H12 | 120.0° | 120.0° |
| C13 | C14 | H11 | H12 | 120.0° | 120.0° |
| C14 | C13 | C12 | H16 | 11.7° | 54.9° |
| C14 | C13 | C12 | H17 | 105.7° | 65.0° |
| C13 | C12 | N11 | C16 | 105.9° | 85.0° |
| C13 | C12 | N11 | H16 | 121.4° | 120.0° |
| C13 | C12 | N11 | H17 | 121.3° | 120.0° |
| C13 | C12 | N11 | S8 | 110.1° | 95.0° |
| C12 | C13 | C15 | H3 | 56.1° | 60.0° |
| C12 | C13 | C15 | H4 | 176.1° | 180.0° |
| C12 | C13 | C15 | H5 | 63.9° | 60.0° |
| C12 | C13 | C14 | H10 | 53.8° | 60.0° |
| C12 | C13 | C14 | H11 | 66.2° | 60.0° |
| C12 | C13 | C14 | H12 | 173.8° | 180.0° |
| C13 | C12 | H16 | H17 | 115.8° | 119.9° |
| C16 | N11 | C12 | S8 | 144.0° | 179.9° |
| C16 | N11 | S8 | O10 | 154.2° | 30.7° |
| C16 | N11 | S8 | O9 | 31.2° | 163.6° |
| C16 | N11 | S8 | C5 | 85.5° | 82.8° |
| N11 | C16 | H6 | H7 | 118.1° | 120.1° |
| N11 | C16 | C17 | H9 | 60.3° | 52.8° |
| C16 | N11 | C12 | H16 | 15.5° | 35.1° |
| C16 | N11 | C12 | H17 | 132.8° | 155.0° |
| C12 | N11 | S8 | O10 | 64.8° | 149.2° |
| C12 | N11 | S8 | O9 | 172.2° | 16.3° |
| C12 | N11 | S8 | C5 | 55.6° | 97.2° |
| C12 | N11 | C16 | H6 | 133.5° | 43.1° |
| C12 | N11 | C16 | H7 | 14.8° | 163.1° |
| N11 | C12 | C13 | H15 | 110.1° | 55.1° |
| N11 | C12 | H16 | H17 | 115.7° | 120.0° |
| N11 | S8 | O10 | O9 | 121.0° | 122.9° |
| N11 | S8 | O10 | C5 | 117.2° | 114.1° |
| N11 | S8 | O9 | C5 | 115.1° | 114.1° |
| N11 | S8 | C5 | C6 | 88.7° | 83.1° |
| N11 | S8 | C5 | C4 | 88.7° | 96.6° |
| S8 | N11 | C16 | H6 | 9.7° | 136.9° |
| S8 | N11 | C16 | H7 | 128.5° | 16.8° |
| S8 | N11 | C12 | H16 | 128.6° | 145.0° |
| S8 | N11 | C12 | H17 | 11.3° | 25.0° |
| O10 | S8 | O9 | C5 | 123.3° | 123.0° |
| O10 | S8 | C5 | C6 | 30.7° | 163.4° |
| O10 | S8 | C5 | C4 | 151.9° | 17.0° |
| O9 | S8 | C5 | C6 | 154.5° | 30.4° |
| O9 | S8 | C5 | C4 | 28.2° | 149.9° |
| S8 | C5 | C6 | C4 | 177.6° | 179.6° |
| S8 | C5 | C6 | C7 | 178.8° | 180.0° |
| S8 | C5 | C4 | C3 | 178.4° | 179.7° |
| S8 | C5 | C4 | H2 | 1.6° | 0.3° |
| S8 | C5 | C6 | H14 | 1.2° | 0.3° |
| C5 | C6 | C7 | H14 | 180.0° | 179.7° |
| C6 | C5 | C4 | C3 | 0.9° | 0.1° |
| C5 | C6 | C7 | C2 | 1.0° | 0.6° |
| C6 | C5 | C4 | H2 | 179.2° | 180.0° |
| C5 | C6 | C7 | H13 | 179.0° | 179.7° |
| C4 | C5 | C6 | C7 | 1.2° | 0.3° |
| C5 | C4 | C3 | H2 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.4° | 0.0° |
| C5 | C4 | C3 | H1 | 179.6° | 180.0° |
| C4 | C5 | C6 | H14 | 178.8° | 180.0° |
| C6 | C7 | C2 | H13 | 180.0° | 179.7° |
| C6 | C7 | C2 | C3 | 0.4° | 0.5° |
| C6 | C7 | C2 | O03 | 179.2° | 179.7° |
| C4 | C3 | C2 | C7 | 0.1° | 0.3° |
| C4 | C3 | C2 | H1 | 180.0° | 180.0° |
| C4 | C3 | C2 | O03 | 178.9° | 179.9° |
| C7 | C2 | C3 | O03 | 178.7° | 179.8° |
| C7 | C2 | O03 | C04 | 38.1° | 0.2° |
| C7 | C2 | C3 | H1 | 179.9° | 179.8° |
| C2 | C7 | C6 | H14 | 179.0° | 179.7° |
| C3 | C2 | O03 | C04 | 140.6° | 180.0° |
| C2 | C3 | C4 | H2 | 179.6° | 180.0° |
| C3 | C2 | C7 | H13 | 179.6° | 179.8° |
| O03 | C2 | C3 | H1 | 1.1° | 0.0° |
| O03 | C2 | C7 | H13 | 0.8° | 0.0° |
| C2 | O03 | C04 | H22 | 180.0° | 60.1° |
| C2 | O03 | C04 | H23 | 60.0° | 60.0° |
| C2 | O03 | C04 | H24 | 60.0° | 179.9° |
| O03 | C04 | H22 | H23 | 120.0° | 120.0° |
| O03 | C04 | H22 | H24 | 120.0° | 120.0° |
| O03 | C04 | H23 | H24 | 120.0° | 120.0° |
| H1 | C3 | C4 | H2 | 0.4° | 0.0° |
| H3 | C15 | H4 | H5 | 120.0° | 120.0° |
| H3 | C15 | C13 | H15 | 62.7° | 180.0° |
| H4 | C15 | C13 | H15 | 57.3° | 60.0° |
| H5 | C15 | C13 | H15 | 177.3° | 60.0° |
| H6 | C16 | C17 | H9 | 179.1° | 67.2° |
| H7 | C16 | C17 | H9 | 60.3° | 172.8° |
| H8 | C19 | C17 | H9 | 75.6° | 65.0° |
| H8 | C19 | C32 | H35 | 53.5° | 175.0° |
| H8 | C19 | C32 | H36 | 172.6° | 65.0° |
| H8 | C19 | N20 | H37 | 173.7° | 145.0° |
| H9 | C17 | O18 | H38 | 61.9° | 176.0° |
| H10 | C14 | H11 | H12 | 120.0° | 120.0° |
| H10 | C14 | C13 | H15 | 62.8° | 180.0° |
| H11 | C14 | C13 | H15 | 177.2° | 59.9° |
| H12 | C14 | C13 | H15 | 57.2° | 60.0° |
| H13 | C7 | C6 | H14 | 1.0° | 0.1° |
| H15 | C13 | C12 | H16 | 128.5° | 65.0° |
| H15 | C13 | C12 | H17 | 11.2° | 175.1° |
| H18 | C01 | C02 | H20 | 58.3° | 177.7° |
| H18 | C01 | C02 | H21 | 60.6° | 61.8° |
| H18 | C01 | C24 | H28 | 58.9° | 176.6° |
| H19 | C01 | C02 | H20 | 178.6° | 61.5° |
| H19 | C01 | C02 | H21 | 59.7° | 59.0° |
| H19 | C01 | C24 | H28 | 61.4° | 55.9° |
| H22 | C04 | H23 | H24 | 120.0° | 120.0° |
| H28 | C24 | C31 | H34 | 48.3° | 52.3° |
| H29 | C27 | C31 | H34 | 33.6° | 43.4° |
| H30 | C29 | C30 | H32 | 112.2° | 101.7° |
| H30 | C29 | C30 | H33 | 8.8° | 22.2° |
| H31 | C29 | C30 | H32 | 8.9° | 19.1° |
| H31 | C29 | C30 | H33 | 130.0° | 143.0° |
| H32 | C30 | C31 | H34 | 100.9° | 37.5° |
| H33 | C30 | C31 | H34 | 20.2° | 161.4° |
