FQ4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | sing | 1.42Å | 1.43Å | |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| O01 | C27 | sing | 1.43Å | 1.44Å | |
| C27 | C31 | sing | 1.54Å | 1.54Å | |
| C27 | O28 | sing | 1.45Å | 1.43Å | |
| C31 | C30 | sing | 1.54Å | 1.53Å | |
| C31 | C24 | sing | 1.51Å | 1.56Å | |
| O28 | C29 | sing | 1.44Å | 1.43Å | |
| C01 | C24 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.54Å | 1.55Å | |
| C24 | O23 | sing | 1.45Å | 1.44Å | |
| O23 | C21 | sing | 1.35Å | 1.36Å | |
| C21 | O22 | doub | 1.22Å | 1.23Å | |
| C21 | N20 | sing | 1.35Å | 1.39Å | |
| F01 | C35 | sing | 1.35Å | 1.30Å | |
| C34 | C35 | doub | 1.38Å | 1.42Å | Aromatic |
| C34 | C08 | sing | 1.38Å | 1.40Å | Aromatic |
| N20 | C19 | sing | 1.47Å | 1.46Å | |
| C35 | C33 | sing | 1.38Å | 1.42Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.42Å | Aromatic |
| C15 | C13 | sing | 1.53Å | 1.53Å | |
| C33 | C06 | doub | 1.38Å | 1.41Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.41Å | Aromatic |
| C07 | C32 | sing | 1.51Å | 1.54Å | |
| C19 | C17 | sing | 1.53Å | 1.59Å | |
| C19 | C32 | sing | 1.53Å | 1.57Å | |
| O18 | C17 | sing | 1.43Å | 1.38Å | |
| C17 | C16 | sing | 1.53Å | 1.58Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C13 | C12 | sing | 1.53Å | 1.58Å | |
| C12 | N11 | sing | 1.47Å | 1.51Å | |
| C16 | N11 | sing | 1.46Å | 1.53Å | |
| N11 | S8 | sing | 1.66Å | 1.75Å | |
| O10 | S8 | doub | 1.42Å | 1.42Å | |
| O9 | S8 | doub | 1.42Å | 1.43Å | |
| S8 | C5 | sing | 1.76Å | 1.82Å | |
| C5 | C4 | doub | 1.38Å | 1.42Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C7 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | O03 | sing | 1.36Å | 1.36Å | |
| O03 | C04 | sing | 1.43Å | 1.43Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C02 | H16 | sing | 1.09Å | 1.10Å | |
| C02 | H17 | sing | 1.09Å | 1.10Å | |
| C04 | H18 | sing | 1.09Å | 1.10Å | |
| C04 | H19 | sing | 1.09Å | 1.10Å | |
| C04 | H20 | sing | 1.09Å | 1.10Å | |
| C06 | H21 | sing | 1.08Å | 1.08Å | |
| C08 | H22 | sing | 1.08Å | 1.08Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.08Å | 1.08Å | |
| C34 | H35 | sing | 1.08Å | 1.08Å | |
| C6 | H36 | sing | 1.08Å | 1.08Å | |
| C7 | H37 | sing | 1.08Å | 1.08Å | |
| N20 | H38 | sing | 0.97Å | 1.00Å | |
| O18 | H39 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C01 | 114.2° | 108.4° |
| C02 | O01 | C27 | 117.0° | 115.9° |
| O01 | C02 | H16 | 108.3° | 109.7° |
| O01 | C02 | H17 | 108.3° | 109.7° |
| C02 | C01 | C24 | 112.1° | 108.0° |
| C02 | C01 | H14 | 108.8° | 109.7° |
| C02 | C01 | H15 | 108.8° | 109.7° |
| C01 | C02 | H16 | 108.3° | 109.6° |
| C01 | C02 | H17 | 108.3° | 109.7° |
| O01 | C27 | C31 | 111.5° | 110.7° |
| O01 | C27 | O28 | 111.9° | 106.3° |
| O01 | C27 | H26 | 109.9° | 112.6° |
| C31 | C27 | O28 | 104.7° | 102.2° |
| C27 | C31 | C30 | 102.5° | 102.6° |
| C27 | C31 | C24 | 111.6° | 112.5° |
| C31 | C27 | H26 | 108.6° | 112.2° |
| C27 | C31 | H31 | 110.5° | 109.8° |
| C27 | O28 | C29 | 109.9° | 106.5° |
| O28 | C27 | H26 | 110.1° | 112.3° |
| C30 | C31 | C24 | 111.5° | 112.0° |
| C31 | C30 | C29 | 105.2° | 103.6° |
| C31 | C30 | H29 | 110.5° | 110.6° |
| C31 | C30 | H30 | 110.5° | 110.8° |
| C30 | C31 | H31 | 110.5° | 109.8° |
| C31 | C24 | C01 | 108.4° | 110.8° |
| C31 | C24 | O23 | 109.6° | 109.2° |
| C31 | C24 | H13 | 109.3° | 109.3° |
| C24 | C31 | H31 | 110.1° | 109.9° |
| O28 | C29 | C30 | 105.9° | 107.1° |
| O28 | C29 | H27 | 110.4° | 109.9° |
| O28 | C29 | H28 | 110.3° | 110.0° |
| C01 | C24 | O23 | 109.0° | 109.2° |
| C01 | C24 | H13 | 109.6° | 109.2° |
| C24 | C01 | H14 | 108.8° | 109.8° |
| C24 | C01 | H15 | 108.8° | 109.8° |
| C30 | C29 | H27 | 110.4° | 109.9° |
| C30 | C29 | H28 | 110.4° | 109.9° |
| C29 | C30 | H29 | 110.5° | 110.6° |
| C29 | C30 | H30 | 110.5° | 110.6° |
| C24 | O23 | C21 | 121.4° | 117.0° |
| O23 | C24 | H13 | 111.0° | 109.2° |
| O23 | C21 | O22 | 118.9° | 120.0° |
| O23 | C21 | N20 | 119.6° | 120.0° |
| O22 | C21 | N20 | 121.5° | 120.0° |
| C21 | N20 | C19 | 124.4° | 120.0° |
| C21 | N20 | H38 | 117.8° | 120.0° |
| F01 | C35 | C34 | 122.4° | 120.0° |
| F01 | C35 | C33 | 118.9° | 120.0° |
| C35 | C34 | C08 | 120.2° | 120.0° |
| C34 | C35 | C33 | 118.6° | 119.9° |
| C35 | C34 | H35 | 119.9° | 120.0° |
| C34 | C08 | C07 | 122.3° | 120.0° |
| C34 | C08 | H22 | 118.9° | 120.0° |
| C08 | C34 | H35 | 119.9° | 120.0° |
| N20 | C19 | C17 | 108.0° | 109.4° |
| N20 | C19 | C32 | 110.2° | 109.5° |
| N20 | C19 | H12 | 109.8° | 109.5° |
| C19 | N20 | H38 | 117.8° | 120.0° |
| C35 | C33 | C06 | 119.7° | 120.0° |
| C35 | C33 | H34 | 120.1° | 120.0° |
| C08 | C07 | C06 | 116.7° | 120.0° |
| C08 | C07 | C32 | 124.3° | 120.0° |
| C07 | C08 | H22 | 118.8° | 120.0° |
| C15 | C13 | C14 | 109.9° | 109.5° |
| C15 | C13 | C12 | 111.2° | 109.4° |
| C15 | C13 | H5 | 108.1° | 109.4° |
| C13 | C15 | H6 | 109.5° | 109.5° |
| C13 | C15 | H7 | 109.4° | 109.5° |
| C13 | C15 | H8 | 109.4° | 109.5° |
| C33 | C06 | C07 | 122.4° | 120.0° |
| C33 | C06 | H21 | 118.8° | 120.0° |
| C06 | C33 | H34 | 120.1° | 120.0° |
| C06 | C07 | C32 | 119.0° | 120.0° |
| C07 | C06 | H21 | 118.8° | 120.0° |
| C07 | C32 | C19 | 110.6° | 109.5° |
| C07 | C32 | H32 | 109.2° | 109.5° |
| C07 | C32 | H33 | 109.2° | 109.4° |
| C17 | C19 | C32 | 112.5° | 109.5° |
| C19 | C17 | O18 | 107.1° | 109.5° |
| C19 | C17 | C16 | 111.4° | 109.4° |
| C19 | C17 | H11 | 108.7° | 109.5° |
| C17 | C19 | H12 | 108.1° | 109.5° |
| C32 | C19 | H12 | 108.3° | 109.5° |
| C19 | C32 | H32 | 109.2° | 109.5° |
| C19 | C32 | H33 | 109.2° | 109.5° |
| O18 | C17 | C16 | 109.2° | 109.5° |
| O18 | C17 | H11 | 111.7° | 109.5° |
| C17 | O18 | H39 | 109.5° | 114.0° |
| C17 | C16 | N11 | 111.9° | 109.5° |
| C17 | C16 | H9 | 108.9° | 109.5° |
| C17 | C16 | H10 | 108.9° | 109.5° |
| C16 | C17 | H11 | 108.8° | 109.4° |
| C14 | C13 | C12 | 112.2° | 109.5° |
| C14 | C13 | H5 | 107.9° | 109.5° |
| C13 | C14 | H23 | 109.5° | 109.5° |
| C13 | C14 | H24 | 109.4° | 109.5° |
| C13 | C14 | H25 | 109.5° | 109.4° |
| C13 | C12 | N11 | 116.5° | 109.5° |
| C13 | C12 | H3 | 107.7° | 109.5° |
| C13 | C12 | H4 | 107.7° | 109.5° |
| C12 | C13 | H5 | 107.5° | 109.5° |
| C12 | N11 | C16 | 113.5° | 120.0° |
| C12 | N11 | S8 | 124.9° | 120.0° |
| N11 | C12 | H3 | 107.7° | 109.5° |
| N11 | C12 | H4 | 107.7° | 109.5° |
| C16 | N11 | S8 | 120.1° | 120.0° |
| N11 | C16 | H9 | 108.9° | 109.5° |
| N11 | C16 | H10 | 108.9° | 109.4° |
| N11 | S8 | O10 | 109.0° | 106.4° |
| N11 | S8 | O9 | 110.4° | 106.4° |
| N11 | S8 | C5 | 106.6° | 107.2° |
| O10 | S8 | O9 | 113.3° | 123.1° |
| O10 | S8 | C5 | 109.7° | 106.4° |
| O9 | S8 | C5 | 107.6° | 106.4° |
| S8 | C5 | C4 | 123.8° | 119.9° |
| S8 | C5 | C6 | 121.6° | 120.0° |
| C4 | C5 | C6 | 114.6° | 120.1° |
| C5 | C4 | C3 | 123.6° | 120.1° |
| C5 | C4 | H2 | 118.2° | 119.9° |
| C5 | C6 | C7 | 123.7° | 120.1° |
| C5 | C6 | H36 | 118.1° | 119.9° |
| C4 | C3 | C2 | 120.0° | 119.9° |
| C4 | C3 | H1 | 120.0° | 120.0° |
| C3 | C4 | H2 | 118.2° | 120.0° |
| C6 | C7 | C2 | 119.4° | 119.9° |
| C7 | C6 | H36 | 118.2° | 120.0° |
| C6 | C7 | H37 | 120.3° | 120.0° |
| C3 | C2 | C7 | 118.7° | 119.9° |
| C3 | C2 | O03 | 121.3° | 120.1° |
| C2 | C3 | H1 | 119.9° | 120.0° |
| C7 | C2 | O03 | 120.0° | 120.0° |
| C2 | C7 | H37 | 120.3° | 120.1° |
| C2 | O03 | C04 | 115.7° | 117.0° |
| O03 | C04 | H18 | 109.5° | 109.5° |
| O03 | C04 | H19 | 109.5° | 109.5° |
| O03 | C04 | H20 | 109.5° | 109.5° |
| H3 | C12 | H4 | 109.5° | 109.4° |
| H6 | C15 | H7 | 109.5° | 109.4° |
| H6 | C15 | H8 | 109.5° | 109.5° |
| H7 | C15 | H8 | 109.5° | 109.5° |
| H9 | C16 | H10 | 109.4° | 109.5° |
| H14 | C01 | H15 | 109.5° | 109.7° |
| H16 | C02 | H17 | 109.5° | 109.8° |
| H18 | C04 | H19 | 109.5° | 109.4° |
| H18 | C04 | H20 | 109.5° | 109.5° |
| H19 | C04 | H20 | 109.4° | 109.5° |
| H23 | C14 | H24 | 109.5° | 109.5° |
| H23 | C14 | H25 | 109.5° | 109.4° |
| H24 | C14 | H25 | 109.5° | 109.5° |
| H27 | C29 | H28 | 109.5° | 109.9° |
| H29 | C30 | H30 | 109.5° | 110.5° |
| H32 | C32 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C01 | H16 | 120.7° | 119.7° |
| O01 | C02 | C01 | H17 | 120.7° | 119.7° |
| C02 | O01 | C27 | C31 | 24.7° | 54.9° |
| C02 | O01 | C27 | O28 | 141.6° | 165.2° |
| O01 | C02 | C01 | C24 | 24.8° | 61.2° |
| O01 | C02 | C01 | H14 | 95.6° | 179.1° |
| O01 | C02 | C01 | H15 | 145.2° | 58.5° |
| O01 | C02 | H16 | H17 | 117.8° | 120.6° |
| C02 | O01 | C27 | H26 | 95.8° | 71.5° |
| C01 | C02 | O01 | C27 | 57.6° | 62.9° |
| C02 | C01 | C24 | C31 | 31.4° | 56.7° |
| C02 | C01 | C24 | H14 | 120.4° | 119.6° |
| C02 | C01 | C24 | H15 | 120.4° | 119.6° |
| C02 | C01 | C24 | O23 | 87.8° | 177.0° |
| C02 | C01 | C24 | H13 | 150.6° | 63.7° |
| C02 | C01 | H14 | H15 | 118.8° | 120.7° |
| C01 | C02 | H16 | H17 | 117.9° | 120.5° |
| O01 | C27 | C31 | O28 | 121.1° | 112.8° |
| O01 | C27 | C31 | H26 | 121.2° | 126.6° |
| O01 | C27 | O28 | H26 | 122.5° | 123.5° |
| O01 | C27 | C31 | C30 | 154.5° | 73.4° |
| O01 | C27 | C31 | C24 | 35.1° | 47.1° |
| O01 | C27 | O28 | C29 | 154.4° | 74.1° |
| C27 | O01 | C02 | H16 | 178.3° | 56.8° |
| C27 | O01 | C02 | H17 | 63.1° | 177.4° |
| O01 | C27 | C31 | H31 | 87.7° | 169.8° |
| C31 | C27 | O28 | H26 | 116.6° | 120.4° |
| C27 | C31 | C30 | C24 | 119.5° | 120.9° |
| C27 | C31 | C30 | H31 | 117.7° | 116.7° |
| C27 | C31 | C24 | H31 | 123.0° | 122.7° |
| C31 | C27 | O28 | C29 | 33.5° | 42.0° |
| C27 | C31 | C24 | C01 | 63.2° | 50.3° |
| C27 | C31 | C30 | C29 | 21.8° | 22.8° |
| C27 | C31 | C24 | O23 | 55.5° | 170.6° |
| C27 | C31 | C24 | H13 | 177.3° | 70.1° |
| C27 | C31 | C30 | H29 | 141.1° | 141.3° |
| C27 | C31 | C30 | H30 | 97.5° | 95.8° |
| O28 | C27 | C31 | C30 | 33.4° | 39.4° |
| O28 | C27 | C31 | C24 | 86.0° | 159.9° |
| C27 | O28 | C29 | C30 | 19.0° | 27.6° |
| C27 | O28 | C29 | H27 | 100.4° | 91.8° |
| C27 | O28 | C29 | H28 | 138.5° | 147.0° |
| O28 | C27 | C31 | H31 | 151.2° | 77.3° |
| C30 | C31 | C24 | H31 | 123.0° | 122.4° |
| C31 | C30 | C29 | O28 | 3.2° | 1.7° |
| C30 | C31 | C24 | C01 | 177.2° | 64.7° |
| C31 | C30 | C29 | H29 | 119.3° | 118.5° |
| C31 | C30 | C29 | H30 | 119.3° | 118.7° |
| C30 | C31 | C24 | O23 | 58.4° | 55.6° |
| C30 | C31 | C24 | H13 | 63.4° | 175.0° |
| C30 | C31 | C27 | H26 | 84.3° | 160.0° |
| C31 | C30 | C29 | H27 | 122.6° | 117.7° |
| C31 | C30 | C29 | H28 | 116.3° | 121.2° |
| C31 | C30 | H29 | H30 | 122.0° | 123.1° |
| C31 | C24 | C01 | O23 | 119.2° | 120.3° |
| C31 | C24 | C01 | H13 | 119.2° | 120.4° |
| C24 | C31 | C30 | C29 | 97.7° | 143.6° |
| C31 | C24 | O23 | H13 | 120.8° | 119.4° |
| C31 | C24 | O23 | C21 | 147.3° | 149.4° |
| C31 | C24 | C01 | H14 | 151.8° | 176.4° |
| C31 | C24 | C01 | H15 | 89.0° | 62.9° |
| C24 | C31 | C27 | H26 | 156.3° | 79.5° |
| C24 | C31 | C30 | H29 | 21.6° | 97.9° |
| C24 | C31 | C30 | H30 | 143.0° | 25.0° |
| O28 | C29 | C30 | H27 | 119.4° | 119.4° |
| O28 | C29 | C30 | H28 | 119.4° | 119.5° |
| C29 | O28 | C27 | H26 | 83.1° | 162.4° |
| O28 | C29 | H27 | H28 | 121.6° | 121.2° |
| O28 | C29 | C30 | H29 | 122.5° | 116.8° |
| O28 | C29 | C30 | H30 | 116.1° | 120.4° |
| C01 | C24 | O23 | H13 | 120.8° | 119.3° |
| C01 | C24 | O23 | C21 | 94.3° | 89.3° |
| C24 | C01 | H14 | H15 | 118.8° | 120.8° |
| C24 | C01 | C02 | H16 | 145.5° | 58.5° |
| C24 | C01 | C02 | H17 | 95.9° | 179.1° |
| C01 | C24 | C31 | H31 | 59.8° | 173.0° |
| C30 | C29 | H27 | H28 | 121.7° | 121.1° |
| C29 | C30 | H29 | H30 | 121.9° | 122.8° |
| C29 | C30 | C31 | H31 | 139.5° | 94.0° |
| C24 | O23 | C21 | O22 | 5.5° | 0.0° |
| C24 | O23 | C21 | N20 | 174.3° | 180.0° |
| O23 | C24 | C01 | H14 | 32.6° | 63.3° |
| O23 | C24 | C01 | H15 | 151.8° | 57.4° |
| O23 | C24 | C31 | H31 | 178.6° | 66.8° |
| O23 | C21 | O22 | N20 | 179.8° | 179.9° |
| O23 | C21 | N20 | C19 | 164.0° | 180.0° |
| C21 | O23 | C24 | H13 | 26.5° | 30.0° |
| O23 | C21 | N20 | H38 | 16.0° | 0.0° |
| O22 | C21 | N20 | C19 | 15.9° | 0.0° |
| O22 | C21 | N20 | H38 | 164.1° | 180.0° |
| C21 | N20 | C19 | H38 | 180.0° | 180.0° |
| C21 | N20 | C19 | C17 | 130.4° | 155.0° |
| C21 | N20 | C19 | C32 | 106.4° | 85.1° |
| C21 | N20 | C19 | H12 | 12.8° | 35.0° |
| F01 | C35 | C34 | C33 | 179.8° | 179.7° |
| F01 | C35 | C34 | C08 | 179.5° | 180.0° |
| F01 | C35 | C33 | C06 | 179.5° | 179.8° |
| F01 | C35 | C33 | H34 | 0.5° | 0.3° |
| F01 | C35 | C34 | H35 | 0.5° | 0.3° |
| C35 | C34 | C08 | H35 | 180.0° | 179.7° |
| C35 | C34 | C08 | C07 | 0.8° | 0.3° |
| C34 | C35 | C33 | C06 | 0.3° | 0.0° |
| C35 | C34 | C08 | H22 | 179.2° | 179.7° |
| C34 | C35 | C33 | H34 | 179.7° | 180.0° |
| C08 | C34 | C35 | C33 | 0.3° | 0.3° |
| C34 | C08 | C07 | H22 | 180.0° | 180.0° |
| C34 | C08 | C07 | C06 | 1.3° | 0.0° |
| C34 | C08 | C07 | C32 | 179.3° | 180.0° |
| N20 | C19 | C32 | C07 | 50.8° | 65.0° |
| N20 | C19 | C17 | C32 | 121.8° | 119.9° |
| N20 | C19 | C17 | H12 | 118.7° | 120.0° |
| N20 | C19 | C32 | H12 | 120.1° | 120.0° |
| N20 | C19 | C17 | O18 | 74.4° | 65.0° |
| N20 | C19 | C17 | C16 | 166.2° | 175.0° |
| N20 | C19 | C17 | H11 | 46.3° | 55.1° |
| N20 | C19 | C32 | H32 | 171.0° | 55.0° |
| N20 | C19 | C32 | H33 | 69.3° | 175.0° |
| C35 | C33 | C06 | H34 | 180.0° | 179.9° |
| C35 | C33 | C06 | C07 | 0.9° | 0.2° |
| C35 | C33 | C06 | H21 | 179.1° | 180.0° |
| C33 | C35 | C34 | H35 | 179.7° | 180.0° |
| C08 | C07 | C06 | C33 | 1.4° | 0.2° |
| C08 | C07 | C06 | C32 | 178.0° | 180.0° |
| C08 | C07 | C32 | C19 | 105.7° | 90.0° |
| C08 | C07 | C06 | H21 | 178.6° | 180.0° |
| C08 | C07 | C32 | H32 | 134.1° | 150.0° |
| C08 | C07 | C32 | H33 | 14.4° | 30.0° |
| C07 | C08 | C34 | H35 | 179.2° | 180.0° |
| C15 | C13 | C14 | C12 | 124.2° | 120.0° |
| C15 | C13 | C14 | H5 | 117.6° | 119.9° |
| C15 | C13 | C12 | H5 | 118.1° | 120.0° |
| C15 | C13 | C12 | N11 | 107.1° | 62.6° |
| C15 | C13 | C12 | H3 | 13.9° | 177.4° |
| C15 | C13 | C12 | H4 | 131.9° | 57.4° |
| C13 | C15 | H6 | H7 | 120.0° | 120.0° |
| C13 | C15 | H6 | H8 | 120.0° | 120.0° |
| C13 | C15 | H7 | H8 | 120.0° | 120.0° |
| C15 | C13 | C14 | H23 | 180.0° | 180.0° |
| C15 | C13 | C14 | H24 | 60.0° | 60.0° |
| C15 | C13 | C14 | H25 | 60.0° | 60.0° |
| C33 | C06 | C07 | H21 | 180.0° | 179.8° |
| C33 | C06 | C07 | C32 | 179.4° | 179.8° |
| C06 | C07 | C32 | C19 | 72.1° | 90.0° |
| C06 | C07 | C08 | H22 | 178.7° | 180.0° |
| C06 | C07 | C32 | H32 | 48.0° | 30.0° |
| C06 | C07 | C32 | H33 | 167.7° | 150.0° |
| C07 | C06 | C33 | H34 | 179.1° | 179.7° |
| C07 | C32 | C19 | C17 | 171.4° | 175.0° |
| C07 | C32 | C19 | H32 | 120.2° | 120.0° |
| C07 | C32 | C19 | H33 | 120.1° | 119.9° |
| C07 | C32 | C19 | H12 | 69.3° | 55.0° |
| C32 | C07 | C06 | H21 | 0.6° | 0.0° |
| C32 | C07 | C08 | H22 | 0.7° | 0.0° |
| C07 | C32 | H32 | H33 | 119.5° | 119.9° |
| C17 | C19 | C32 | H12 | 119.4° | 120.1° |
| C19 | C17 | O18 | C16 | 120.7° | 120.0° |
| C19 | C17 | O18 | H11 | 118.9° | 120.1° |
| C19 | C17 | C16 | H11 | 119.8° | 119.9° |
| C19 | C17 | C16 | N11 | 59.1° | 175.8° |
| C19 | C17 | C16 | H9 | 61.3° | 55.8° |
| C19 | C17 | C16 | H10 | 179.5° | 64.2° |
| C17 | C19 | C32 | H32 | 68.4° | 65.0° |
| C17 | C19 | C32 | H33 | 51.2° | 55.1° |
| C17 | C19 | N20 | H38 | 49.7° | 25.0° |
| C19 | C17 | O18 | H39 | 180.0° | 60.0° |
| C32 | C19 | C17 | O18 | 47.4° | 55.0° |
| C32 | C19 | C17 | C16 | 72.0° | 65.1° |
| C32 | C19 | C17 | H11 | 168.1° | 175.0° |
| C19 | C32 | H32 | H33 | 119.5° | 120.1° |
| C32 | C19 | N20 | H38 | 73.6° | 95.0° |
| O18 | C17 | C16 | H11 | 122.1° | 120.0° |
| O18 | C17 | C16 | N11 | 177.2° | 64.2° |
| O18 | C17 | C16 | H9 | 56.8° | 175.8° |
| O18 | C17 | C16 | H10 | 62.4° | 55.8° |
| O18 | C17 | C19 | H12 | 166.9° | 175.0° |
| C17 | C16 | N11 | C12 | 82.0° | 80.4° |
| C17 | C16 | N11 | H9 | 120.4° | 120.0° |
| C17 | C16 | N11 | H10 | 120.4° | 120.0° |
| C17 | C16 | N11 | S8 | 111.3° | 99.5° |
| C17 | C16 | H9 | H10 | 118.9° | 120.0° |
| C16 | C17 | C19 | H12 | 47.5° | 55.0° |
| C16 | C17 | O18 | H39 | 59.2° | 60.0° |
| C14 | C13 | C12 | H5 | 118.4° | 120.0° |
| C14 | C13 | C12 | N11 | 129.4° | 177.4° |
| C14 | C13 | C12 | H3 | 109.6° | 57.4° |
| C14 | C13 | C12 | H4 | 8.4° | 62.6° |
| C14 | C13 | C15 | H6 | 180.0° | 55.6° |
| C14 | C13 | C15 | H7 | 60.0° | 64.4° |
| C14 | C13 | C15 | H8 | 60.0° | 175.6° |
| C13 | C14 | H23 | H24 | 120.0° | 120.1° |
| C13 | C14 | H23 | H25 | 120.0° | 119.9° |
| C13 | C14 | H24 | H25 | 120.0° | 120.0° |
| C13 | C12 | N11 | H3 | 121.0° | 120.0° |
| C13 | C12 | N11 | H4 | 121.0° | 120.0° |
| C13 | C12 | N11 | C16 | 127.2° | 64.1° |
| C13 | C12 | N11 | S8 | 66.8° | 115.9° |
| C13 | C12 | H3 | H4 | 116.8° | 120.0° |
| C12 | C13 | C15 | H6 | 55.2° | 64.5° |
| C12 | C13 | C15 | H7 | 175.2° | 175.5° |
| C12 | C13 | C15 | H8 | 64.9° | 55.6° |
| C12 | C13 | C14 | H23 | 55.8° | 60.0° |
| C12 | C13 | C14 | H24 | 64.2° | 180.0° |
| C12 | C13 | C14 | H25 | 175.8° | 60.0° |
| C12 | N11 | C16 | S8 | 166.7° | 180.0° |
| C12 | N11 | S8 | O10 | 40.0° | 23.6° |
| C12 | N11 | S8 | O9 | 165.0° | 156.4° |
| C12 | N11 | S8 | C5 | 78.3° | 90.0° |
| N11 | C12 | H3 | H4 | 116.8° | 120.0° |
| N11 | C12 | C13 | H5 | 11.0° | 57.4° |
| C12 | N11 | C16 | H9 | 157.6° | 39.6° |
| C12 | N11 | C16 | H10 | 38.3° | 159.6° |
| C16 | N11 | S8 | O10 | 154.9° | 156.4° |
| C16 | N11 | S8 | O9 | 29.9° | 23.5° |
| C16 | N11 | S8 | C5 | 86.7° | 90.0° |
| C16 | N11 | C12 | H3 | 6.2° | 55.9° |
| C16 | N11 | C12 | H4 | 111.8° | 175.8° |
| N11 | C16 | H9 | H10 | 118.9° | 119.9° |
| N11 | C16 | C17 | H11 | 60.7° | 55.9° |
| N11 | S8 | O10 | O9 | 123.3° | 122.9° |
| N11 | S8 | O10 | C5 | 116.4° | 114.1° |
| N11 | S8 | O9 | C5 | 116.0° | 114.1° |
| N11 | S8 | C5 | C4 | 86.7° | 90.0° |
| N11 | S8 | C5 | C6 | 92.2° | 90.0° |
| S8 | N11 | C12 | H3 | 172.2° | 124.1° |
| S8 | N11 | C12 | H4 | 54.2° | 4.2° |
| S8 | N11 | C16 | H9 | 9.1° | 140.4° |
| S8 | N11 | C16 | H10 | 128.4° | 20.5° |
| O10 | S8 | O9 | C5 | 121.4° | 123.0° |
| O10 | S8 | C5 | C4 | 31.2° | 156.4° |
| O10 | S8 | C5 | C6 | 149.9° | 23.5° |
| O9 | S8 | C5 | C4 | 154.9° | 23.5° |
| O9 | S8 | C5 | C6 | 26.3° | 156.4° |
| S8 | C5 | C4 | C6 | 178.9° | 180.0° |
| S8 | C5 | C4 | C3 | 179.3° | 180.0° |
| S8 | C5 | C6 | C7 | 179.1° | 179.7° |
| S8 | C5 | C4 | H2 | 0.7° | 0.0° |
| S8 | C5 | C6 | H36 | 0.8° | 0.0° |
| C5 | C4 | C3 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.2° | 0.3° |
| C5 | C4 | C3 | C2 | 0.7° | 0.1° |
| C5 | C4 | C3 | H1 | 179.3° | 180.0° |
| C4 | C5 | C6 | H36 | 179.8° | 180.0° |
| C6 | C5 | C4 | C3 | 0.4° | 0.0° |
| C5 | C6 | C7 | H36 | 180.0° | 179.7° |
| C5 | C6 | C7 | C2 | 0.2° | 0.6° |
| C6 | C5 | C4 | H2 | 179.6° | 180.0° |
| C5 | C6 | C7 | H37 | 179.7° | 180.0° |
| C4 | C3 | C2 | H1 | 180.0° | 179.9° |
| C4 | C3 | C2 | C7 | 0.7° | 0.3° |
| C4 | C3 | C2 | O03 | 178.8° | 180.0° |
| C6 | C7 | C2 | C3 | 0.5° | 0.6° |
| C6 | C7 | C2 | H37 | 180.0° | 179.4° |
| C6 | C7 | C2 | O03 | 178.6° | 179.7° |
| C3 | C2 | C7 | O03 | 178.1° | 179.6° |
| C3 | C2 | O03 | C04 | 37.4° | 179.9° |
| C2 | C3 | C4 | H2 | 179.3° | 179.9° |
| C3 | C2 | C7 | H37 | 179.5° | 180.0° |
| C7 | C2 | O03 | C04 | 140.7° | 0.3° |
| C7 | C2 | C3 | H1 | 179.3° | 179.7° |
| C2 | C7 | C6 | H36 | 179.7° | 179.7° |
| O03 | C2 | C3 | H1 | 1.2° | 0.1° |
| C2 | O03 | C04 | H18 | 180.0° | 180.0° |
| C2 | O03 | C04 | H19 | 60.0° | 60.0° |
| C2 | O03 | C04 | H20 | 60.0° | 60.0° |
| O03 | C2 | C7 | H37 | 1.3° | 0.3° |
| O03 | C04 | H18 | H19 | 120.0° | 120.0° |
| O03 | C04 | H18 | H20 | 120.0° | 120.0° |
| O03 | C04 | H19 | H20 | 120.0° | 120.0° |
| H1 | C3 | C4 | H2 | 0.7° | 0.0° |
| H3 | C12 | C13 | H5 | 132.0° | 62.7° |
| H4 | C12 | C13 | H5 | 110.0° | 177.4° |
| H5 | C13 | C15 | H6 | 62.6° | 175.5° |
| H5 | C13 | C15 | H7 | 57.4° | 55.5° |
| H5 | C13 | C15 | H8 | 177.4° | 64.4° |
| H5 | C13 | C14 | H23 | 62.4° | 60.1° |
| H5 | C13 | C14 | H24 | 177.6° | 60.0° |
| H5 | C13 | C14 | H25 | 57.6° | 180.0° |
| H6 | C15 | H7 | H8 | 120.0° | 120.0° |
| H9 | C16 | C17 | H11 | 178.9° | 64.2° |
| H10 | C16 | C17 | H11 | 59.7° | 175.8° |
| H11 | C17 | C19 | H12 | 72.3° | 64.9° |
| H11 | C17 | O18 | H39 | 61.2° | 180.0° |
| H12 | C19 | C32 | H32 | 50.9° | 175.0° |
| H12 | C19 | C32 | H33 | 170.6° | 65.0° |
| H12 | C19 | N20 | H38 | 167.3° | 145.0° |
| H13 | C24 | C01 | H14 | 89.1° | 56.0° |
| H13 | C24 | C01 | H15 | 30.2° | 176.7° |
| H13 | C24 | C31 | H31 | 59.6° | 52.6° |
| H14 | C01 | C02 | H16 | 25.1° | 61.1° |
| H14 | C01 | C02 | H17 | 143.7° | 59.4° |
| H15 | C01 | C02 | H16 | 94.1° | 178.2° |
| H15 | C01 | C02 | H17 | 24.5° | 61.2° |
| H18 | C04 | H19 | H20 | 120.0° | 120.0° |
| H21 | C06 | C33 | H34 | 0.9° | 0.0° |
| H22 | C08 | C34 | H35 | 0.8° | 0.0° |
| H23 | C14 | H24 | H25 | 120.0° | 120.0° |
| H26 | C27 | C31 | H31 | 33.5° | 43.2° |
| H27 | C29 | C30 | H29 | 118.0° | 123.8° |
| H27 | C29 | C30 | H30 | 3.3° | 1.0° |
| H28 | C29 | C30 | H29 | 3.1° | 2.7° |
| H28 | C29 | C30 | H30 | 124.4° | 120.1° |
| H29 | C30 | C31 | H31 | 101.2° | 24.5° |
| H30 | C30 | C31 | H31 | 20.2° | 147.4° |
| H36 | C6 | C7 | H37 | 0.3° | 0.3° |
