2CA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S1 | O1 | doub | 1.42Å | 1.45Å | |
| S1 | O2 | doub | 1.42Å | 1.44Å | |
| S1 | C23 | sing | 1.76Å | 1.84Å | |
| S1 | N05 | sing | 1.66Å | 1.63Å | |
| O4 | C8 | doub | 1.21Å | 1.25Å | |
| O5 | C14 | doub | 1.22Å | 1.24Å | |
| O6 | C15 | sing | 1.35Å | 1.38Å | Aromatic |
| O6 | C21 | sing | 1.35Å | 1.34Å | Aromatic |
| N2 | C8 | sing | 1.35Å | 1.33Å | |
| N2 | C01 | sing | 1.46Å | 1.58Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| N3 | C9 | sing | 1.47Å | 1.47Å | |
| N3 | C14 | sing | 1.35Å | 1.37Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| N4 | C23 | doub | 1.32Å | 1.37Å | Aromatic |
| N4 | C27 | sing | 1.32Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.56Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | HC9 | sing | 1.09Å | 1.12Å | |
| C10 | C11 | sing | 1.53Å | 1.56Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C11 | C13 | sing | 1.53Å | 1.51Å | |
| C11 | H11 | sing | 1.09Å | 1.11Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C12 | H123 | sing | 1.09Å | 1.11Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C13 | H133 | sing | 1.09Å | 1.11Å | |
| C14 | C15 | sing | 1.47Å | 1.47Å | |
| C15 | C16 | doub | 1.36Å | 1.33Å | Aromatic |
| C16 | C22 | sing | 1.46Å | 1.44Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | doub | 1.37Å | 1.43Å | Aromatic |
| C17 | C22 | sing | 1.40Å | 1.43Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | sing | 1.39Å | 1.44Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | doub | 1.38Å | 1.42Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | sing | 1.39Å | 1.46Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | C22 | doub | 1.41Å | 1.41Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.44Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.43Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | C26 | sing | 1.39Å | 1.42Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C26 | C27 | doub | 1.38Å | 1.42Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C01 | C02 | sing | 1.53Å | 1.58Å | |
| C01 | C07 | sing | 1.49Å | 1.56Å | |
| C01 | H01 | sing | 1.09Å | 1.11Å | |
| C02 | C03 | sing | 1.48Å | 1.54Å | |
| C02 | H021 | sing | 1.09Å | 1.12Å | |
| C02 | H022 | sing | 1.09Å | 1.12Å | |
| C03 | C04 | sing | 1.53Å | 1.55Å | |
| C03 | H031 | sing | 1.09Å | 1.12Å | |
| C03 | H032 | sing | 1.09Å | 1.11Å | |
| C04 | N05 | sing | 1.45Å | 1.50Å | |
| C04 | H041 | sing | 1.09Å | 1.11Å | |
| C04 | H042 | sing | 1.09Å | 1.12Å | |
| N05 | C06 | sing | 1.48Å | 1.49Å | |
| C06 | C07 | sing | 1.52Å | 1.55Å | |
| C06 | H061 | sing | 1.09Å | 1.12Å | |
| C06 | H062 | sing | 1.09Å | 1.11Å | |
| O08 | C07 | doub | 1.21Å | 1.42Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | S1 | O2 | 116.1° | 125.3° |
| O1 | S1 | C23 | 109.3° | 105.8° |
| O1 | S1 | N05 | 107.4° | 105.8° |
| O2 | S1 | C23 | 109.7° | 105.8° |
| O2 | S1 | N05 | 105.7° | 105.8° |
| C23 | S1 | N05 | 108.4° | 107.4° |
| S1 | C23 | N4 | 114.7° | 119.6° |
| S1 | C23 | C24 | 123.0° | 119.6° |
| S1 | N05 | C04 | 112.2° | 119.9° |
| S1 | N05 | C06 | 112.7° | 120.0° |
| O4 | C8 | N2 | 122.1° | 120.1° |
| O4 | C8 | C9 | 122.7° | 120.0° |
| O5 | C14 | N3 | 125.2° | 120.0° |
| O5 | C14 | C15 | 120.5° | 120.0° |
| C15 | O6 | C21 | 106.3° | 110.9° |
| O6 | C15 | C14 | 116.1° | 125.2° |
| O6 | C15 | C16 | 112.1° | 109.7° |
| O6 | C21 | C20 | 126.2° | 133.3° |
| O6 | C21 | C22 | 110.3° | 107.6° |
| C8 | N2 | C01 | 118.4° | 119.9° |
| C8 | N2 | HN2 | 112.6° | 120.1° |
| N2 | C8 | C9 | 115.2° | 120.0° |
| C01 | N2 | HN2 | 129.0° | 120.0° |
| N2 | C01 | C02 | 110.6° | 109.3° |
| N2 | C01 | C07 | 107.5° | 109.3° |
| N2 | C01 | H01 | 113.2° | 109.3° |
| C9 | N3 | C14 | 125.6° | 120.0° |
| C9 | N3 | HN3 | 121.0° | 120.0° |
| N3 | C9 | C8 | 104.3° | 109.5° |
| N3 | C9 | C10 | 111.0° | 109.4° |
| N3 | C9 | HC9 | 111.4° | 109.5° |
| C14 | N3 | HN3 | 113.4° | 120.0° |
| N3 | C14 | C15 | 114.3° | 120.0° |
| C23 | N4 | C27 | 118.0° | 121.7° |
| N4 | C23 | C24 | 122.3° | 120.8° |
| N4 | C27 | C26 | 122.7° | 120.8° |
| N4 | C27 | H27 | 118.3° | 119.6° |
| C8 | C9 | C10 | 108.2° | 109.5° |
| C8 | C9 | HC9 | 114.1° | 109.5° |
| C10 | C9 | HC9 | 107.8° | 109.4° |
| C9 | C10 | C11 | 122.3° | 109.5° |
| C9 | C10 | H101 | 107.7° | 109.5° |
| C9 | C10 | H102 | 107.7° | 109.5° |
| C11 | C10 | H101 | 107.6° | 109.5° |
| C11 | C10 | H102 | 107.6° | 109.5° |
| C10 | C11 | C12 | 110.4° | 109.5° |
| C10 | C11 | C13 | 112.1° | 109.5° |
| C10 | C11 | H11 | 105.7° | 109.5° |
| H101 | C10 | H102 | 102.2° | 109.4° |
| C12 | C11 | C13 | 105.2° | 109.5° |
| C12 | C11 | H11 | 112.6° | 109.4° |
| C11 | C12 | H121 | 111.8° | 109.4° |
| C11 | C12 | H122 | 110.4° | 109.5° |
| C11 | C12 | H123 | 111.9° | 109.5° |
| C13 | C11 | H11 | 110.9° | 109.4° |
| C11 | C13 | H131 | 111.2° | 109.4° |
| C11 | C13 | H132 | 112.1° | 109.4° |
| C11 | C13 | H133 | 111.3° | 109.5° |
| H121 | C12 | H122 | 111.9° | 109.5° |
| H121 | C12 | H123 | 98.5° | 109.5° |
| H122 | C12 | H123 | 111.8° | 109.5° |
| H131 | C13 | H132 | 111.2° | 109.5° |
| H131 | C13 | H133 | 99.1° | 109.5° |
| H132 | C13 | H133 | 111.2° | 109.5° |
| C14 | C15 | C16 | 131.8° | 125.1° |
| C15 | C16 | C22 | 106.1° | 106.1° |
| C15 | C16 | H16 | 123.9° | 127.0° |
| C22 | C16 | H16 | 130.0° | 126.9° |
| C16 | C22 | C17 | 135.9° | 134.2° |
| C16 | C22 | C21 | 104.7° | 105.7° |
| C18 | C17 | C22 | 118.7° | 119.7° |
| C18 | C17 | H17 | 120.7° | 120.2° |
| C17 | C18 | C19 | 120.9° | 120.4° |
| C17 | C18 | H18 | 119.3° | 119.8° |
| C22 | C17 | H17 | 120.6° | 120.1° |
| C17 | C22 | C21 | 119.4° | 120.1° |
| C19 | C18 | H18 | 119.9° | 119.8° |
| C18 | C19 | C20 | 121.8° | 120.8° |
| C18 | C19 | H19 | 119.7° | 119.6° |
| C20 | C19 | H19 | 118.4° | 119.6° |
| C19 | C20 | C21 | 115.3° | 119.8° |
| C19 | C20 | H20 | 121.0° | 120.1° |
| C21 | C20 | H20 | 123.7° | 120.1° |
| C20 | C21 | C22 | 123.5° | 119.2° |
| C23 | C24 | C25 | 117.3° | 119.1° |
| C23 | C24 | H24 | 121.6° | 120.4° |
| C25 | C24 | H24 | 121.1° | 120.4° |
| C24 | C25 | C26 | 119.8° | 118.4° |
| C24 | C25 | H25 | 120.5° | 120.8° |
| C26 | C25 | H25 | 119.7° | 120.8° |
| C25 | C26 | C27 | 118.1° | 119.2° |
| C25 | C26 | H26 | 121.0° | 120.4° |
| C27 | C26 | H26 | 120.9° | 120.4° |
| C26 | C27 | H27 | 119.0° | 119.6° |
| C02 | C01 | C07 | 117.3° | 110.5° |
| C02 | C01 | H01 | 102.3° | 109.2° |
| C01 | C02 | C03 | 117.3° | 112.3° |
| C01 | C02 | H021 | 109.4° | 108.9° |
| C01 | C02 | H022 | 109.4° | 108.9° |
| C07 | C01 | H01 | 105.9° | 109.3° |
| C01 | C07 | C06 | 116.6° | 120.6° |
| C01 | C07 | O08 | 108.7° | 119.7° |
| C03 | C02 | H021 | 109.4° | 109.0° |
| C03 | C02 | H022 | 109.4° | 108.9° |
| C02 | C03 | C04 | 117.7° | 113.1° |
| C02 | C03 | H031 | 109.2° | 108.7° |
| C02 | C03 | H032 | 109.2° | 108.8° |
| H021 | C02 | H022 | 100.8° | 108.8° |
| C04 | C03 | H031 | 109.2° | 108.7° |
| C04 | C03 | H032 | 109.3° | 108.8° |
| C03 | C04 | N05 | 120.4° | 110.8° |
| C03 | C04 | H041 | 108.3° | 109.2° |
| C03 | C04 | H042 | 108.3° | 109.2° |
| H031 | C03 | H032 | 100.9° | 108.6° |
| N05 | C04 | H041 | 108.3° | 109.2° |
| N05 | C04 | H042 | 108.3° | 109.2° |
| C04 | N05 | C06 | 114.6° | 120.1° |
| H041 | C04 | H042 | 101.7° | 109.2° |
| N05 | C06 | C07 | 107.5° | 110.6° |
| N05 | C06 | H061 | 113.0° | 109.3° |
| N05 | C06 | H062 | 112.9° | 109.2° |
| C07 | C06 | H061 | 112.9° | 109.3° |
| C07 | C06 | H062 | 113.0° | 109.2° |
| C06 | C07 | O08 | 109.4° | 119.7° |
| H061 | C06 | H062 | 97.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | S1 | O2 | C23 | 124.5° | 123.1° |
| O1 | S1 | O2 | N05 | 118.9° | 123.1° |
| O1 | S1 | C23 | N05 | 116.8° | 112.6° |
| O1 | S1 | C23 | N4 | 46.2° | 22.3° |
| O1 | S1 | C23 | C24 | 135.6° | 157.4° |
| O1 | S1 | N05 | C04 | 162.7° | 22.6° |
| O1 | S1 | N05 | C06 | 31.5° | 157.3° |
| O2 | S1 | C23 | N05 | 114.9° | 112.6° |
| O2 | S1 | C23 | N4 | 174.5° | 157.1° |
| O2 | S1 | C23 | C24 | 7.3° | 22.6° |
| O2 | S1 | N05 | C04 | 72.7° | 157.3° |
| O2 | S1 | N05 | C06 | 156.0° | 22.6° |
| S1 | C23 | N4 | C24 | 178.2° | 179.7° |
| S1 | C23 | N4 | C27 | 169.4° | 179.7° |
| S1 | C23 | C24 | C25 | 162.3° | 180.0° |
| S1 | C23 | C24 | H24 | 17.7° | 0.1° |
| C23 | S1 | N05 | C04 | 44.8° | 90.0° |
| C23 | S1 | N05 | C06 | 86.4° | 90.1° |
| N05 | S1 | C23 | N4 | 70.5° | 90.3° |
| N05 | S1 | C23 | C24 | 107.6° | 90.0° |
| S1 | N05 | C04 | C03 | 168.3° | 90.6° |
| S1 | N05 | C04 | C06 | 130.2° | 179.9° |
| S1 | N05 | C04 | H041 | 66.4° | 29.7° |
| S1 | N05 | C04 | H042 | 43.1° | 149.1° |
| S1 | N05 | C06 | C07 | 137.6° | 140.0° |
| S1 | N05 | C06 | H061 | 97.2° | 19.6° |
| S1 | N05 | C06 | H062 | 12.3° | 99.8° |
| O4 | C8 | N2 | C9 | 179.0° | 180.0° |
| O4 | C8 | N2 | C01 | 1.3° | 0.0° |
| O4 | C8 | N2 | HN2 | 178.7° | 179.9° |
| O4 | C8 | C9 | N3 | 39.1° | 0.0° |
| O4 | C8 | C9 | C10 | 79.2° | 120.0° |
| O4 | C8 | C9 | HC9 | 160.9° | 120.0° |
| O5 | C14 | C15 | O6 | 12.2° | 180.0° |
| O5 | C14 | N3 | C9 | 16.3° | 0.0° |
| O5 | C14 | N3 | C15 | 179.6° | 180.0° |
| O5 | C14 | N3 | HN3 | 163.7° | 180.0° |
| O5 | C14 | C15 | C16 | 167.0° | 0.3° |
| O6 | C15 | C14 | N3 | 167.4° | 0.0° |
| O6 | C15 | C14 | C16 | 179.2° | 179.7° |
| O6 | C15 | C16 | C22 | 8.1° | 0.4° |
| O6 | C15 | C16 | H16 | 171.9° | 179.8° |
| C15 | O6 | C21 | C20 | 177.5° | 180.0° |
| C15 | O6 | C21 | C22 | 3.0° | 0.0° |
| C21 | O6 | C15 | C14 | 173.6° | 180.0° |
| C21 | O6 | C15 | C16 | 7.1° | 0.3° |
| O6 | C21 | C22 | C16 | 1.7° | 0.2° |
| O6 | C21 | C22 | C17 | 178.5° | 179.9° |
| O6 | C21 | C20 | C19 | 176.2° | 180.0° |
| O6 | C21 | C20 | C22 | 179.5° | 180.0° |
| O6 | C21 | C20 | H20 | 3.8° | 0.0° |
| C8 | N2 | C01 | HN2 | 180.0° | 179.9° |
| N2 | C8 | C9 | N3 | 139.9° | 180.0° |
| N2 | C8 | C9 | C10 | 101.9° | 60.0° |
| N2 | C8 | C9 | HC9 | 18.1° | 60.0° |
| C8 | N2 | C01 | C02 | 111.3° | 154.5° |
| C8 | N2 | C01 | C07 | 119.5° | 84.5° |
| C8 | N2 | C01 | H01 | 2.9° | 35.0° |
| C01 | N2 | C8 | C9 | 179.7° | 180.0° |
| N2 | C01 | C02 | C07 | 123.7° | 120.2° |
| N2 | C01 | C02 | H01 | 120.9° | 119.5° |
| N2 | C01 | C07 | H01 | 121.3° | 119.5° |
| N2 | C01 | C02 | C03 | 56.4° | 165.6° |
| N2 | C01 | C02 | H021 | 68.8° | 44.8° |
| N2 | C01 | C02 | H022 | 178.3° | 73.7° |
| N2 | C01 | C07 | C06 | 67.9° | 153.1° |
| N2 | C01 | C07 | O08 | 167.9° | 26.8° |
| HN2 | N2 | C8 | C9 | 0.3° | 0.1° |
| HN2 | N2 | C01 | C02 | 68.7° | 25.5° |
| HN2 | N2 | C01 | C07 | 60.6° | 95.4° |
| HN2 | N2 | C01 | H01 | 177.1° | 145.0° |
| C9 | N3 | C14 | HN3 | 180.0° | 180.0° |
| N3 | C9 | C8 | C10 | 118.2° | 120.0° |
| N3 | C9 | C8 | HC9 | 121.8° | 120.1° |
| N3 | C9 | C10 | HC9 | 122.3° | 120.0° |
| N3 | C9 | C10 | C11 | 88.0° | 65.0° |
| N3 | C9 | C10 | H101 | 146.8° | 175.0° |
| N3 | C9 | C10 | H102 | 37.3° | 55.0° |
| C9 | N3 | C14 | C15 | 163.3° | 180.0° |
| C14 | N3 | C9 | C8 | 52.8° | 155.0° |
| C14 | N3 | C9 | C10 | 169.0° | 85.0° |
| C14 | N3 | C9 | HC9 | 70.8° | 34.9° |
| N3 | C14 | C15 | C16 | 13.4° | 179.7° |
| HN3 | N3 | C9 | C8 | 127.2° | 25.0° |
| HN3 | N3 | C9 | C10 | 11.0° | 95.0° |
| HN3 | N3 | C9 | HC9 | 109.2° | 145.1° |
| HN3 | N3 | C14 | C15 | 16.7° | 0.0° |
| N4 | C23 | C24 | C25 | 15.7° | 0.3° |
| N4 | C23 | C24 | H24 | 164.3° | 179.8° |
| C23 | N4 | C27 | C26 | 0.8° | 0.6° |
| C23 | N4 | C27 | H27 | 179.2° | 179.7° |
| C27 | N4 | C23 | C24 | 8.8° | 0.6° |
| N4 | C27 | C26 | C25 | 0.3° | 0.3° |
| N4 | C27 | C26 | H27 | 180.0° | 179.7° |
| N4 | C27 | C26 | H26 | 179.7° | 179.7° |
| C8 | C9 | C10 | HC9 | 123.9° | 120.0° |
| C8 | C9 | C10 | C11 | 158.2° | 175.0° |
| C8 | C9 | C10 | H101 | 33.0° | 55.0° |
| C8 | C9 | C10 | H102 | 76.5° | 65.0° |
| C9 | C10 | C11 | H101 | 125.3° | 120.0° |
| C9 | C10 | C11 | H102 | 125.3° | 120.0° |
| C9 | C10 | H101 | H102 | 113.2° | 120.0° |
| C9 | C10 | C11 | C12 | 123.9° | 175.0° |
| C9 | C10 | C11 | C13 | 6.9° | 65.0° |
| C9 | C10 | C11 | H11 | 114.1° | 55.0° |
| HC9 | C9 | C10 | C11 | 34.3° | 55.0° |
| HC9 | C9 | C10 | H101 | 90.9° | 65.0° |
| HC9 | C9 | C10 | H102 | 159.6° | 175.0° |
| C11 | C10 | H101 | H102 | 113.2° | 119.9° |
| C10 | C11 | C12 | C13 | 121.2° | 120.1° |
| C10 | C11 | C12 | H11 | 117.9° | 120.0° |
| C10 | C11 | C13 | H11 | 117.9° | 120.0° |
| C10 | C11 | C12 | H121 | 54.7° | 180.0° |
| C10 | C11 | C12 | H122 | 180.0° | 60.0° |
| C10 | C11 | C12 | H123 | 54.7° | 60.0° |
| C10 | C11 | C13 | H131 | 54.8° | 60.0° |
| C10 | C11 | C13 | H132 | 180.0° | 60.0° |
| C10 | C11 | C13 | H133 | 54.8° | 180.0° |
| H101 | C10 | C11 | C12 | 110.8° | 65.0° |
| H101 | C10 | C11 | C13 | 132.2° | 55.0° |
| H101 | C10 | C11 | H11 | 11.2° | 175.0° |
| H102 | C10 | C11 | C12 | 1.4° | 54.9° |
| H102 | C10 | C11 | C13 | 118.4° | 175.0° |
| H102 | C10 | C11 | H11 | 120.7° | 65.0° |
| C12 | C11 | C13 | H11 | 122.0° | 120.0° |
| C11 | C12 | H121 | H122 | 124.5° | 120.0° |
| C11 | C12 | H121 | H123 | 117.8° | 120.0° |
| C11 | C12 | H122 | H123 | 125.2° | 120.0° |
| C12 | C11 | C13 | H131 | 65.3° | 60.1° |
| C12 | C11 | C13 | H132 | 59.9° | 180.0° |
| C12 | C11 | C13 | H133 | 174.8° | 60.0° |
| C13 | C11 | C12 | H121 | 175.9° | 60.0° |
| C13 | C11 | C12 | H122 | 58.8° | 179.9° |
| C13 | C11 | C12 | H123 | 66.5° | 60.0° |
| C11 | C13 | H131 | H132 | 125.8° | 119.9° |
| C11 | C13 | H131 | H133 | 117.2° | 120.0° |
| C11 | C13 | H132 | H133 | 125.3° | 120.0° |
| H11 | C11 | C12 | H121 | 63.2° | 60.0° |
| H11 | C11 | C12 | H122 | 62.1° | 60.0° |
| H11 | C11 | C12 | H123 | 172.7° | 180.0° |
| H11 | C11 | C13 | H131 | 172.7° | 180.0° |
| H11 | C11 | C13 | H132 | 62.1° | 60.0° |
| H11 | C11 | C13 | H133 | 63.2° | 60.0° |
| H121 | C12 | H122 | H123 | 109.5° | 120.0° |
| H131 | C13 | H132 | H133 | 109.5° | 120.1° |
| C14 | C15 | C16 | C22 | 172.7° | 179.9° |
| C14 | C15 | C16 | H16 | 7.3° | 0.0° |
| C15 | C16 | C22 | H16 | 180.0° | 179.8° |
| C15 | C16 | C22 | C17 | 174.5° | 179.8° |
| C15 | C16 | C22 | C21 | 5.8° | 0.4° |
| C16 | C22 | C17 | C18 | 175.9° | 179.7° |
| C16 | C22 | C17 | C21 | 179.7° | 179.8° |
| C16 | C22 | C17 | H17 | 4.2° | 0.3° |
| C16 | C22 | C21 | C20 | 177.8° | 179.8° |
| H16 | C16 | C22 | C17 | 5.5° | 0.0° |
| H16 | C16 | C22 | C21 | 174.2° | 179.8° |
| C18 | C17 | C22 | H17 | 180.0° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 4.9° | 0.0° |
| C17 | C18 | C19 | H19 | 175.1° | 180.0° |
| C18 | C17 | C22 | C21 | 3.8° | 0.1° |
| C22 | C17 | C18 | C19 | 0.5° | 0.0° |
| C22 | C17 | C18 | H18 | 179.5° | 179.9° |
| C17 | C22 | C21 | C20 | 1.9° | 0.1° |
| H17 | C17 | C18 | C19 | 179.5° | 179.9° |
| H17 | C17 | C18 | H18 | 0.5° | 0.0° |
| H17 | C17 | C22 | C21 | 176.2° | 179.9° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 6.6° | 0.0° |
| C18 | C19 | C20 | H20 | 173.4° | 180.0° |
| H18 | C18 | C19 | C20 | 175.1° | 179.9° |
| H18 | C18 | C19 | H19 | 4.9° | 0.1° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 3.2° | 0.1° |
| H19 | C19 | C20 | C21 | 173.4° | 180.0° |
| H19 | C19 | C20 | H20 | 6.6° | 0.0° |
| H20 | C20 | C21 | C22 | 176.8° | 180.0° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 14.7° | 0.0° |
| C23 | C24 | C25 | H25 | 165.3° | 180.0° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 7.5° | 0.0° |
| C24 | C25 | C26 | H26 | 172.5° | 180.0° |
| H24 | C24 | C25 | C26 | 165.3° | 179.9° |
| H24 | C24 | C25 | H25 | 14.7° | 0.1° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | H27 | 179.7° | 180.0° |
| H25 | C25 | C26 | C27 | 172.5° | 180.0° |
| H25 | C25 | C26 | H26 | 7.5° | 0.0° |
| H26 | C26 | C27 | H27 | 0.3° | 0.0° |
| C02 | C01 | C07 | H01 | 113.4° | 120.2° |
| C01 | C02 | C03 | H021 | 125.2° | 120.7° |
| C01 | C02 | C03 | H022 | 125.3° | 120.8° |
| C01 | C02 | H021 | H022 | 115.1° | 118.6° |
| C01 | C02 | C03 | C04 | 64.4° | 63.9° |
| C01 | C02 | C03 | H031 | 60.9° | 57.0° |
| C01 | C02 | C03 | H032 | 170.3° | 175.1° |
| C02 | C01 | C07 | C06 | 57.4° | 86.6° |
| C02 | C01 | C07 | O08 | 66.8° | 93.4° |
| C07 | C01 | C02 | C03 | 67.3° | 74.2° |
| C07 | C01 | C02 | H021 | 167.4° | 165.0° |
| C07 | C01 | C02 | H022 | 58.0° | 46.5° |
| C01 | C07 | C06 | N05 | 71.5° | 40.4° |
| C01 | C07 | C06 | O08 | 123.9° | 179.9° |
| C01 | C07 | C06 | H061 | 53.8° | 79.9° |
| C01 | C07 | C06 | H062 | 163.3° | 160.7° |
| H01 | C01 | C02 | C03 | 177.3° | 46.0° |
| H01 | C01 | C02 | H021 | 52.0° | 74.7° |
| H01 | C01 | C02 | H022 | 57.4° | 166.8° |
| H01 | C01 | C07 | C06 | 170.8° | 33.6° |
| H01 | C01 | C07 | O08 | 46.6° | 146.3° |
| C03 | C02 | H021 | H022 | 115.2° | 118.6° |
| C02 | C03 | C04 | H031 | 125.3° | 120.9° |
| C02 | C03 | C04 | H032 | 125.3° | 121.0° |
| C02 | C03 | H031 | H032 | 114.9° | 118.2° |
| C02 | C03 | C04 | N05 | 12.8° | 78.3° |
| C02 | C03 | C04 | H041 | 138.0° | 161.4° |
| C02 | C03 | C04 | H042 | 112.5° | 42.0° |
| H021 | C02 | C03 | C04 | 170.4° | 175.4° |
| H021 | C02 | C03 | H031 | 64.4° | 63.7° |
| H021 | C02 | C03 | H032 | 45.1° | 54.4° |
| H022 | C02 | C03 | C04 | 60.9° | 56.9° |
| H022 | C02 | C03 | H031 | 173.9° | 177.8° |
| H022 | C02 | C03 | H032 | 64.4° | 64.1° |
| C04 | C03 | H031 | H032 | 115.0° | 118.2° |
| C03 | C04 | N05 | H041 | 125.3° | 120.3° |
| C03 | C04 | N05 | H042 | 125.3° | 120.3° |
| C03 | C04 | H041 | H042 | 113.9° | 119.4° |
| C03 | C04 | N05 | C06 | 61.5° | 89.3° |
| H031 | C03 | C04 | N05 | 112.5° | 42.6° |
| H031 | C03 | C04 | H041 | 12.8° | 77.7° |
| H031 | C03 | C04 | H042 | 122.2° | 162.9° |
| H032 | C03 | C04 | N05 | 138.0° | 160.8° |
| H032 | C03 | C04 | H041 | 96.7° | 40.4° |
| H032 | C03 | C04 | H042 | 12.8° | 78.9° |
| N05 | C04 | H041 | H042 | 113.9° | 119.3° |
| C04 | N05 | C06 | C07 | 92.4° | 39.9° |
| C04 | N05 | C06 | H061 | 32.8° | 160.3° |
| C04 | N05 | C06 | H062 | 142.3° | 80.3° |
| H041 | C04 | N05 | C06 | 63.8° | 150.4° |
| H042 | C04 | N05 | C06 | 173.3° | 31.0° |
| N05 | C06 | C07 | H061 | 125.3° | 120.3° |
| N05 | C06 | C07 | H062 | 125.2° | 120.2° |
| N05 | C06 | H061 | H062 | 118.9° | 119.4° |
| N05 | C06 | C07 | O08 | 52.4° | 139.7° |
| C07 | C06 | H061 | H062 | 118.9° | 119.4° |
| H061 | C06 | C07 | O08 | 177.7° | 100.0° |
| H062 | C06 | C07 | O08 | 72.8° | 19.4° |
