QGU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O32 | S3 | doub | 1.42Å | 1.42Å | |
| O31 | S3 | doub | 1.42Å | 1.41Å | |
| F9 | C4 | sing | 1.35Å | 1.35Å | |
| S3 | C6 | sing | 1.82Å | 1.82Å | |
| S3 | C1 | sing | 1.76Å | 1.78Å | |
| C6 | C11 | sing | 1.50Å | 1.51Å | |
| C4 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| C37 | N17 | sing | 1.47Å | 1.48Å | |
| C37 | C36 | sing | 1.53Å | 1.54Å | |
| O16 | C15 | doub | 1.22Å | 1.22Å | |
| N17 | C15 | sing | 1.35Å | 1.36Å | |
| N17 | C33 | sing | 1.47Å | 1.48Å | |
| C15 | C12 | sing | 1.48Å | 1.50Å | |
| C11 | C12 | sing | 1.40Å | 1.42Å | Aromatic |
| C11 | C10 | doub | 1.37Å | 1.38Å | Aromatic |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | N13 | doub | 1.32Å | 1.32Å | Aromatic |
| C2 | C10 | sing | 1.48Å | 1.49Å | |
| C2 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C36 | O35 | sing | 1.43Å | 1.44Å | |
| C10 | N14 | sing | 1.36Å | 1.37Å | Aromatic |
| O35 | C34 | sing | 1.43Å | 1.43Å | |
| N13 | N14 | sing | 1.29Å | 1.28Å | Aromatic |
| C8 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| N14 | C18 | sing | 1.40Å | 1.40Å | |
| C19 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | O28 | sing | 1.43Å | 1.45Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| O28 | C27 | sing | 1.43Å | 1.44Å | |
| C30 | N25 | sing | 1.47Å | 1.48Å | |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C24 | sing | 1.51Å | 1.51Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C26 | N25 | sing | 1.47Å | 1.48Å | |
| N25 | C24 | sing | 1.47Å | 1.47Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C19 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C27 | H9 | sing | 1.09Å | 1.10Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C30 | H11 | sing | 1.09Å | 1.10Å | |
| C30 | H12 | sing | 1.09Å | 1.10Å | |
| C33 | H13 | sing | 1.09Å | 1.10Å | |
| C33 | H14 | sing | 1.09Å | 1.10Å | |
| C34 | H15 | sing | 1.09Å | 1.10Å | |
| C34 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H17 | sing | 1.08Å | 1.08Å | |
| C6 | H18 | sing | 1.09Å | 1.10Å | |
| C6 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C36 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H26 | sing | 1.09Å | 1.10Å | |
| C37 | H27 | sing | 1.09Å | 1.10Å | |
| C37 | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O32 | S3 | O31 | 119.4° | 121.1° |
| O32 | S3 | C6 | 110.1° | 110.5° |
| O32 | S3 | C1 | 107.1° | 104.3° |
| O31 | S3 | C6 | 112.1° | 110.6° |
| O31 | S3 | C1 | 105.3° | 104.3° |
| F9 | C4 | C1 | 121.0° | 119.9° |
| F9 | C4 | C7 | 118.3° | 120.0° |
| C6 | S3 | C1 | 101.0° | 104.4° |
| S3 | C6 | C11 | 107.0° | 108.4° |
| S3 | C6 | H18 | 110.1° | 109.7° |
| S3 | C6 | H19 | 110.1° | 109.7° |
| S3 | C1 | C4 | 121.9° | 119.9° |
| S3 | C1 | C2 | 118.9° | 120.3° |
| C6 | C11 | C12 | 130.1° | 129.1° |
| C6 | C11 | C10 | 122.9° | 124.9° |
| C11 | C6 | H18 | 110.1° | 109.7° |
| C11 | C6 | H19 | 110.1° | 109.7° |
| C1 | C4 | C7 | 120.7° | 120.1° |
| C4 | C1 | C2 | 119.2° | 119.8° |
| C4 | C7 | C8 | 120.2° | 120.3° |
| C4 | C7 | H1 | 119.8° | 119.8° |
| C1 | C2 | C10 | 119.6° | 120.1° |
| C1 | C2 | C5 | 119.0° | 119.8° |
| N17 | C37 | C36 | 108.8° | 108.4° |
| C37 | N17 | C15 | 119.8° | 121.0° |
| C37 | N17 | C33 | 117.6° | 118.0° |
| N17 | C37 | H27 | 109.7° | 109.7° |
| N17 | C37 | H28 | 109.6° | 109.7° |
| C37 | C36 | O35 | 108.9° | 109.2° |
| C37 | C36 | H25 | 109.6° | 109.5° |
| C37 | C36 | H26 | 109.6° | 109.6° |
| C36 | C37 | H27 | 109.7° | 109.7° |
| C36 | C37 | H28 | 109.6° | 109.7° |
| O16 | C15 | N17 | 118.8° | 120.0° |
| O16 | C15 | C12 | 119.5° | 120.0° |
| C15 | N17 | C33 | 122.5° | 121.0° |
| N17 | C15 | C12 | 121.6° | 120.0° |
| N17 | C33 | C34 | 108.4° | 108.4° |
| N17 | C33 | H13 | 109.7° | 109.7° |
| N17 | C33 | H14 | 109.8° | 109.7° |
| C15 | C12 | C11 | 128.9° | 126.5° |
| C15 | C12 | N13 | 125.7° | 126.5° |
| C12 | C11 | C10 | 107.0° | 106.0° |
| C11 | C12 | N13 | 105.3° | 107.0° |
| C11 | C10 | C2 | 123.0° | 124.7° |
| C11 | C10 | N14 | 105.8° | 106.6° |
| C33 | C34 | O35 | 107.5° | 109.2° |
| C34 | C33 | H13 | 109.7° | 109.7° |
| C34 | C33 | H14 | 109.7° | 109.7° |
| C33 | C34 | H15 | 110.0° | 109.5° |
| C33 | C34 | H16 | 110.0° | 109.5° |
| C7 | C8 | C5 | 119.9° | 120.2° |
| C8 | C7 | H1 | 119.9° | 119.9° |
| C7 | C8 | H2 | 120.0° | 119.9° |
| C12 | N13 | N14 | 112.4° | 110.4° |
| C10 | C2 | C5 | 121.3° | 120.2° |
| C2 | C10 | N14 | 131.2° | 128.7° |
| C2 | C5 | C8 | 120.8° | 119.9° |
| C2 | C5 | H17 | 119.6° | 120.1° |
| C36 | O35 | C34 | 117.4° | 114.2° |
| O35 | C36 | H25 | 109.6° | 109.5° |
| O35 | C36 | H26 | 109.6° | 109.5° |
| C10 | N14 | N13 | 109.4° | 109.9° |
| C10 | N14 | C18 | 129.7° | 125.0° |
| O35 | C34 | H15 | 109.9° | 109.5° |
| O35 | C34 | H16 | 109.9° | 109.6° |
| N13 | N14 | C18 | 120.6° | 125.1° |
| C5 | C8 | H2 | 120.0° | 119.9° |
| C8 | C5 | H17 | 119.6° | 120.1° |
| N14 | C18 | C19 | 118.7° | 120.1° |
| N14 | C18 | C23 | 119.7° | 120.1° |
| C18 | C19 | C20 | 119.9° | 119.9° |
| C19 | C18 | C23 | 120.8° | 119.9° |
| C18 | C19 | H3 | 120.1° | 120.0° |
| C19 | C20 | C21 | 119.2° | 120.1° |
| C20 | C19 | H3 | 120.1° | 120.0° |
| C19 | C20 | H4 | 120.4° | 120.0° |
| C18 | C23 | C22 | 118.8° | 119.9° |
| C18 | C23 | H20 | 120.6° | 120.1° |
| C20 | C21 | C22 | 121.2° | 120.2° |
| C20 | C21 | C24 | 119.0° | 119.9° |
| C21 | C20 | H4 | 120.4° | 119.9° |
| O28 | C29 | C30 | 110.7° | 109.3° |
| C29 | O28 | C27 | 117.5° | 113.8° |
| O28 | C29 | H23 | 109.2° | 109.5° |
| O28 | C29 | H24 | 109.2° | 109.5° |
| C29 | C30 | N25 | 109.5° | 109.3° |
| C29 | C30 | H11 | 109.5° | 109.5° |
| C29 | C30 | H12 | 109.5° | 109.6° |
| C30 | C29 | H23 | 109.2° | 109.5° |
| C30 | C29 | H24 | 109.2° | 109.5° |
| O28 | C27 | C26 | 108.7° | 109.3° |
| O28 | C27 | H9 | 109.7° | 109.5° |
| O28 | C27 | H10 | 109.7° | 109.6° |
| C30 | N25 | C26 | 115.9° | 110.7° |
| C30 | N25 | C24 | 114.2° | 111.0° |
| N25 | C30 | H11 | 109.5° | 109.5° |
| N25 | C30 | H12 | 109.5° | 109.5° |
| C23 | C22 | C21 | 119.8° | 120.0° |
| C23 | C22 | H5 | 120.1° | 119.9° |
| C22 | C23 | H20 | 120.6° | 120.0° |
| C22 | C21 | C24 | 119.8° | 119.9° |
| C21 | C22 | H5 | 120.1° | 120.0° |
| C21 | C24 | N25 | 112.2° | 109.4° |
| C21 | C24 | H6 | 108.8° | 109.5° |
| C21 | C24 | H7 | 108.8° | 109.4° |
| C27 | C26 | N25 | 108.2° | 109.2° |
| C26 | C27 | H9 | 109.7° | 109.5° |
| C26 | C27 | H10 | 109.7° | 109.5° |
| C27 | C26 | H21 | 109.8° | 109.5° |
| C27 | C26 | H22 | 109.8° | 109.5° |
| C26 | N25 | C24 | 115.3° | 111.0° |
| N25 | C26 | H21 | 109.8° | 109.6° |
| N25 | C26 | H22 | 109.8° | 109.5° |
| N25 | C24 | H6 | 108.8° | 109.5° |
| N25 | C24 | H7 | 108.8° | 109.5° |
| H6 | C24 | H7 | 109.5° | 109.5° |
| H9 | C27 | H10 | 109.5° | 109.5° |
| H11 | C30 | H12 | 109.4° | 109.5° |
| H13 | C33 | H14 | 109.5° | 109.7° |
| H15 | C34 | H16 | 109.5° | 109.5° |
| H18 | C6 | H19 | 109.5° | 109.7° |
| H21 | C26 | H22 | 109.5° | 109.6° |
| H23 | C29 | H24 | 109.5° | 109.5° |
| H25 | C36 | H26 | 109.5° | 109.5° |
| H27 | C37 | H28 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O32 | S3 | O31 | C6 | 130.8° | 131.6° |
| O32 | S3 | O31 | C1 | 120.3° | 116.8° |
| O32 | S3 | C6 | C1 | 113.0° | 111.6° |
| O32 | S3 | C6 | C11 | 167.0° | 155.2° |
| O32 | S3 | C1 | C4 | 26.2° | 33.2° |
| O32 | S3 | C1 | C2 | 152.0° | 147.0° |
| O32 | S3 | C6 | H18 | 73.4° | 35.5° |
| O32 | S3 | C6 | H19 | 47.4° | 85.1° |
| O31 | S3 | C6 | C1 | 111.6° | 111.6° |
| O31 | S3 | C6 | C11 | 57.6° | 68.0° |
| O31 | S3 | C1 | C4 | 101.9° | 94.7° |
| O31 | S3 | C1 | C2 | 79.9° | 85.1° |
| O31 | S3 | C6 | H18 | 62.0° | 172.3° |
| O31 | S3 | C6 | H19 | 177.3° | 51.7° |
| F9 | C4 | C1 | S3 | 2.5° | 0.9° |
| F9 | C4 | C1 | C7 | 178.1° | 179.9° |
| F9 | C4 | C1 | C2 | 179.3° | 179.3° |
| F9 | C4 | C7 | C8 | 179.2° | 180.0° |
| F9 | C4 | C7 | H1 | 0.8° | 0.0° |
| S3 | C6 | C11 | H18 | 119.6° | 119.7° |
| S3 | C6 | C11 | H19 | 119.6° | 119.7° |
| C6 | S3 | C1 | C4 | 141.4° | 149.3° |
| C6 | S3 | C1 | C2 | 36.8° | 31.0° |
| S3 | C6 | C11 | C12 | 135.7° | 147.0° |
| S3 | C6 | C11 | C10 | 40.8° | 33.8° |
| S3 | C6 | H18 | H19 | 121.1° | 120.5° |
| C1 | S3 | C6 | C11 | 54.0° | 43.6° |
| S3 | C1 | C4 | C2 | 178.2° | 179.8° |
| S3 | C1 | C4 | C7 | 179.4° | 179.1° |
| S3 | C1 | C2 | C10 | 0.4° | 1.7° |
| S3 | C1 | C2 | C5 | 176.4° | 178.7° |
| C1 | S3 | C6 | H18 | 173.6° | 76.1° |
| C1 | S3 | C6 | H19 | 65.6° | 163.3° |
| C6 | C11 | C12 | C15 | 4.6° | 2.1° |
| C6 | C11 | C12 | C10 | 176.9° | 179.3° |
| C6 | C11 | C12 | N13 | 179.0° | 178.0° |
| C6 | C11 | C10 | C2 | 1.5° | 1.1° |
| C6 | C11 | C10 | N14 | 178.6° | 177.3° |
| C11 | C6 | H18 | H19 | 121.2° | 120.6° |
| C1 | C4 | C7 | C8 | 2.7° | 0.0° |
| C4 | C1 | C2 | C10 | 178.7° | 178.6° |
| C4 | C1 | C2 | C5 | 1.8° | 1.0° |
| C1 | C4 | C7 | H1 | 177.3° | 180.0° |
| C7 | C4 | C1 | C2 | 1.2° | 0.7° |
| C4 | C7 | C8 | H1 | 180.0° | 180.0° |
| C4 | C7 | C8 | C5 | 1.1° | 0.3° |
| C4 | C7 | C8 | H2 | 178.9° | 179.7° |
| C1 | C2 | C10 | C11 | 26.3° | 18.5° |
| C1 | C2 | C10 | C5 | 176.8° | 179.6° |
| C1 | C2 | C10 | N14 | 153.9° | 163.5° |
| C1 | C2 | C5 | C8 | 3.5° | 0.7° |
| C1 | C2 | C5 | H17 | 176.5° | 179.3° |
| N17 | C37 | C36 | H27 | 119.9° | 119.7° |
| N17 | C37 | C36 | H28 | 119.9° | 119.7° |
| C37 | N17 | C15 | O16 | 0.8° | 173.9° |
| C37 | N17 | C15 | C33 | 179.1° | 179.9° |
| C37 | N17 | C15 | C12 | 179.4° | 6.2° |
| C37 | N17 | C33 | C34 | 53.6° | 50.5° |
| N17 | C37 | C36 | O35 | 49.3° | 52.3° |
| C37 | N17 | C33 | H13 | 173.4° | 69.3° |
| C37 | N17 | C33 | H14 | 66.3° | 170.3° |
| N17 | C37 | C36 | H25 | 169.2° | 67.7° |
| N17 | C37 | C36 | H26 | 70.6° | 172.2° |
| N17 | C37 | H27 | H28 | 120.3° | 120.5° |
| C36 | C37 | N17 | C15 | 129.5° | 129.4° |
| C36 | C37 | N17 | C33 | 51.4° | 50.5° |
| C37 | C36 | O35 | H25 | 119.9° | 119.9° |
| C37 | C36 | O35 | H26 | 119.9° | 120.0° |
| C37 | C36 | O35 | C34 | 59.9° | 62.6° |
| C37 | C36 | H25 | H26 | 120.3° | 120.1° |
| C36 | C37 | H27 | H28 | 120.3° | 120.6° |
| O16 | C15 | N17 | C12 | 178.5° | 179.9° |
| O16 | C15 | N17 | C33 | 179.9° | 6.0° |
| O16 | C15 | C12 | C11 | 33.2° | 6.3° |
| O16 | C15 | C12 | N13 | 142.4° | 173.8° |
| N17 | C15 | C12 | C11 | 148.2° | 173.8° |
| C15 | N17 | C33 | C34 | 127.4° | 129.4° |
| N17 | C15 | C12 | N13 | 36.1° | 6.1° |
| C15 | N17 | C33 | H13 | 7.6° | 110.8° |
| C15 | N17 | C33 | H14 | 112.8° | 9.7° |
| C15 | N17 | C37 | H27 | 110.6° | 110.8° |
| C15 | N17 | C37 | H28 | 9.7° | 9.7° |
| C33 | N17 | C15 | C12 | 1.6° | 173.9° |
| N17 | C33 | C34 | H13 | 119.8° | 119.7° |
| N17 | C33 | C34 | H14 | 119.8° | 119.7° |
| N17 | C33 | C34 | O35 | 53.2° | 52.3° |
| N17 | C33 | H13 | H14 | 120.5° | 120.5° |
| N17 | C33 | C34 | H15 | 66.5° | 67.6° |
| N17 | C33 | C34 | H16 | 172.8° | 172.3° |
| C33 | N17 | C37 | H27 | 68.6° | 69.2° |
| C33 | N17 | C37 | H28 | 171.2° | 170.3° |
| C15 | C12 | C11 | N13 | 176.3° | 179.9° |
| C15 | C12 | C11 | C10 | 178.5° | 178.6° |
| C15 | C12 | N13 | N14 | 178.6° | 179.9° |
| C12 | C11 | C10 | C2 | 178.7° | 179.6° |
| C12 | C11 | C10 | N14 | 1.5° | 2.0° |
| C11 | C12 | N13 | N14 | 2.1° | 0.0° |
| C12 | C11 | C6 | H18 | 16.1° | 93.3° |
| C12 | C11 | C6 | H19 | 104.6° | 27.3° |
| C10 | C11 | C12 | N13 | 2.1° | 1.3° |
| C11 | C10 | C2 | N14 | 179.8° | 178.0° |
| C11 | C10 | C2 | C5 | 150.5° | 161.1° |
| C11 | C10 | N14 | N13 | 0.2° | 2.1° |
| C11 | C10 | N14 | C18 | 174.7° | 177.9° |
| C10 | C11 | C6 | H18 | 160.3° | 85.9° |
| C10 | C11 | C6 | H19 | 78.9° | 153.5° |
| C33 | C34 | O35 | C36 | 61.7° | 62.6° |
| C33 | C34 | O35 | H15 | 119.7° | 119.9° |
| C33 | C34 | O35 | H16 | 119.7° | 120.0° |
| C34 | C33 | H13 | H14 | 120.5° | 120.6° |
| C33 | C34 | H15 | H16 | 121.0° | 120.1° |
| C7 | C8 | C5 | C2 | 2.0° | 0.0° |
| C7 | C8 | C5 | H2 | 180.0° | 180.0° |
| C7 | C8 | C5 | H17 | 178.0° | 180.0° |
| C12 | N13 | N14 | C10 | 1.2° | 1.3° |
| C12 | N13 | N14 | C18 | 173.9° | 178.7° |
| C2 | C10 | N14 | N13 | 179.9° | 179.6° |
| C10 | C2 | C5 | C8 | 179.7° | 178.9° |
| C2 | C10 | N14 | C18 | 5.4° | 0.4° |
| C10 | C2 | C5 | H17 | 0.3° | 1.1° |
| C5 | C2 | C10 | N14 | 29.3° | 17.0° |
| C2 | C5 | C8 | H17 | 180.0° | 180.0° |
| C2 | C5 | C8 | H2 | 178.0° | 180.0° |
| C36 | O35 | C34 | H15 | 58.0° | 57.3° |
| C36 | O35 | C34 | H16 | 178.6° | 177.5° |
| O35 | C36 | H25 | H26 | 120.3° | 120.1° |
| O35 | C36 | C37 | H27 | 70.6° | 67.4° |
| O35 | C36 | C37 | H28 | 169.2° | 172.0° |
| C10 | N14 | N13 | C18 | 175.1° | 180.0° |
| C10 | N14 | C18 | C19 | 57.0° | 130.6° |
| C10 | N14 | C18 | C23 | 132.8° | 49.5° |
| O35 | C34 | C33 | H13 | 173.0° | 67.4° |
| O35 | C34 | C33 | H14 | 66.7° | 172.0° |
| O35 | C34 | H15 | H16 | 120.9° | 120.2° |
| C34 | O35 | C36 | H25 | 179.8° | 57.4° |
| C34 | O35 | C36 | H26 | 60.0° | 177.5° |
| N13 | N14 | C18 | C19 | 117.0° | 49.4° |
| N13 | N14 | C18 | C23 | 53.3° | 130.5° |
| C5 | C8 | C7 | H1 | 179.0° | 179.7° |
| N14 | C18 | C19 | C23 | 170.2° | 179.9° |
| N14 | C18 | C19 | C20 | 175.7° | 180.0° |
| N14 | C18 | C23 | C22 | 175.6° | 179.9° |
| N14 | C18 | C19 | H3 | 4.3° | 0.3° |
| N14 | C18 | C23 | H20 | 4.4° | 0.0° |
| C18 | C19 | C20 | H3 | 180.0° | 179.7° |
| C18 | C19 | C20 | C21 | 4.0° | 0.1° |
| C19 | C18 | C23 | C22 | 5.5° | 0.0° |
| C18 | C19 | C20 | H4 | 175.9° | 180.0° |
| C19 | C18 | C23 | H20 | 174.5° | 180.0° |
| C20 | C19 | C18 | C23 | 5.5° | 0.0° |
| C19 | C20 | C21 | H4 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 2.7° | 0.1° |
| C19 | C20 | C21 | C24 | 179.8° | 180.0° |
| C18 | C23 | C22 | H20 | 180.0° | 180.0° |
| C18 | C23 | C22 | C21 | 4.1° | 0.0° |
| C23 | C18 | C19 | H3 | 174.4° | 179.8° |
| C18 | C23 | C22 | H5 | 175.8° | 180.0° |
| C20 | C21 | C22 | C23 | 2.8° | 0.0° |
| C20 | C21 | C22 | C24 | 177.0° | 180.0° |
| C20 | C21 | C24 | N25 | 79.3° | 90.0° |
| C21 | C20 | C19 | H3 | 175.9° | 179.8° |
| C20 | C21 | C22 | H5 | 177.2° | 180.0° |
| C20 | C21 | C24 | H6 | 160.3° | 150.0° |
| C20 | C21 | C24 | H7 | 41.1° | 30.0° |
| O28 | C29 | C30 | H23 | 120.2° | 120.0° |
| O28 | C29 | C30 | H24 | 120.2° | 119.9° |
| O28 | C29 | C30 | N25 | 47.2° | 56.9° |
| C29 | O28 | C27 | C26 | 57.8° | 58.7° |
| C29 | O28 | C27 | H9 | 62.1° | 61.3° |
| C29 | O28 | C27 | H10 | 177.7° | 178.6° |
| O28 | C29 | C30 | H11 | 72.8° | 176.8° |
| O28 | C29 | C30 | H12 | 167.2° | 63.1° |
| O28 | C29 | H23 | H24 | 119.5° | 120.1° |
| C30 | C29 | O28 | C27 | 54.0° | 58.7° |
| C29 | C30 | N25 | H11 | 120.0° | 119.9° |
| C29 | C30 | N25 | H12 | 120.0° | 120.0° |
| C29 | C30 | N25 | C26 | 52.7° | 58.6° |
| C29 | C30 | N25 | C24 | 169.6° | 177.6° |
| C29 | C30 | H11 | H12 | 120.0° | 120.1° |
| C30 | C29 | H23 | H24 | 119.4° | 120.1° |
| O28 | C27 | C26 | H9 | 119.9° | 119.9° |
| O28 | C27 | C26 | H10 | 119.9° | 120.0° |
| O28 | C27 | C26 | N25 | 55.0° | 56.9° |
| O28 | C27 | H9 | H10 | 120.4° | 120.1° |
| O28 | C27 | C26 | H21 | 174.8° | 63.1° |
| O28 | C27 | C26 | H22 | 64.7° | 176.8° |
| C27 | O28 | C29 | H23 | 174.2° | 178.6° |
| C27 | O28 | C29 | H24 | 66.2° | 61.3° |
| C30 | N25 | C24 | C21 | 88.3° | 170.0° |
| C30 | N25 | C26 | C27 | 56.8° | 58.6° |
| C30 | N25 | C26 | C24 | 137.2° | 123.7° |
| C30 | N25 | C24 | H6 | 151.3° | 50.0° |
| C30 | N25 | C24 | H7 | 32.1° | 70.0° |
| N25 | C30 | H11 | H12 | 120.0° | 120.1° |
| C30 | N25 | C26 | H21 | 176.6° | 61.3° |
| C30 | N25 | C26 | H22 | 63.0° | 178.5° |
| N25 | C30 | C29 | H23 | 167.4° | 176.8° |
| N25 | C30 | C29 | H24 | 73.0° | 63.1° |
| C23 | C22 | C21 | H5 | 180.0° | 179.9° |
| C23 | C22 | C21 | C24 | 179.9° | 180.0° |
| C22 | C21 | C24 | N25 | 103.6° | 90.0° |
| C22 | C21 | C20 | H4 | 177.2° | 180.0° |
| C22 | C21 | C24 | H6 | 16.8° | 30.0° |
| C22 | C21 | C24 | H7 | 136.0° | 150.0° |
| C21 | C22 | C23 | H20 | 175.8° | 180.0° |
| C21 | C24 | N25 | C26 | 49.7° | 66.4° |
| C21 | C24 | N25 | H6 | 120.4° | 120.0° |
| C21 | C24 | N25 | H7 | 120.4° | 119.9° |
| C24 | C21 | C20 | H4 | 0.2° | 0.0° |
| C24 | C21 | C22 | H5 | 0.1° | 0.0° |
| C21 | C24 | H6 | H7 | 118.8° | 120.0° |
| C27 | C26 | N25 | H21 | 119.8° | 119.9° |
| C27 | C26 | N25 | H22 | 119.8° | 119.9° |
| C27 | C26 | N25 | C24 | 165.9° | 177.6° |
| C26 | C27 | H9 | H10 | 120.4° | 120.1° |
| C27 | C26 | H21 | H22 | 120.6° | 120.1° |
| C26 | N25 | C24 | H6 | 70.7° | 173.6° |
| C26 | N25 | C24 | H7 | 170.1° | 53.6° |
| N25 | C26 | C27 | H9 | 64.8° | 63.0° |
| N25 | C26 | C27 | H10 | 174.9° | 176.8° |
| C26 | N25 | C30 | H11 | 67.3° | 178.6° |
| C26 | N25 | C30 | H12 | 172.7° | 61.4° |
| N25 | C26 | H21 | H22 | 120.6° | 120.2° |
| N25 | C24 | H6 | H7 | 118.7° | 120.0° |
| C24 | N25 | C30 | H11 | 70.4° | 57.7° |
| C24 | N25 | C30 | H12 | 49.5° | 62.4° |
| C24 | N25 | C26 | H21 | 46.1° | 62.5° |
| C24 | N25 | C26 | H22 | 74.3° | 57.7° |
| H1 | C7 | C8 | H2 | 1.1° | 0.3° |
| H2 | C8 | C5 | H17 | 2.0° | 0.0° |
| H3 | C19 | C20 | H4 | 4.1° | 0.3° |
| H5 | C22 | C23 | H20 | 4.2° | 0.0° |
| H9 | C27 | C26 | H21 | 55.0° | 177.0° |
| H9 | C27 | C26 | H22 | 175.4° | 56.9° |
| H10 | C27 | C26 | H21 | 65.3° | 56.9° |
| H10 | C27 | C26 | H22 | 55.1° | 63.2° |
| H11 | C30 | C29 | H23 | 47.4° | 63.3° |
| H11 | C30 | C29 | H24 | 167.0° | 56.8° |
| H12 | C30 | C29 | H23 | 72.6° | 56.8° |
| H12 | C30 | C29 | H24 | 47.0° | 176.9° |
| H13 | C33 | C34 | H15 | 53.3° | 172.7° |
| H13 | C33 | C34 | H16 | 67.4° | 52.5° |
| H14 | C33 | C34 | H15 | 173.7° | 52.1° |
| H14 | C33 | C34 | H16 | 53.0° | 68.0° |
| H25 | C36 | C37 | H27 | 49.3° | 172.6° |
| H25 | C36 | C37 | H28 | 70.9° | 52.1° |
| H26 | C36 | C37 | H27 | 169.5° | 52.5° |
| H26 | C36 | C37 | H28 | 49.3° | 68.0° |
