A1AIZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O05 | C31 | sing | 1.36Å | 1.37Å | |
| C31 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| C32 | C15 | sing | 1.40Å | 1.37Å | Aromatic |
| C30 | C29 | doub | 1.36Å | 1.36Å | Aromatic |
| C15 | S01 | sing | 1.76Å | 1.55Å | Aromatic |
| C15 | C28 | doub | 1.40Å | 1.36Å | Aromatic |
| S01 | C02 | sing | 1.75Å | 1.56Å | Aromatic |
| C29 | C28 | sing | 1.41Å | 1.37Å | Aromatic |
| C28 | C04 | sing | 1.45Å | 1.35Å | Aromatic |
| C02 | C04 | doub | 1.33Å | 1.39Å | Aromatic |
| C02 | C07 | sing | 1.48Å | 1.39Å | |
| C04 | O03 | sing | 1.36Å | 1.39Å | |
| C10 | C07 | doub | 1.40Å | 1.34Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.35Å | Aromatic |
| C07 | C14 | sing | 1.40Å | 1.35Å | Aromatic |
| O03 | C17 | sing | 1.36Å | 1.35Å | |
| C21 | C17 | doub | 1.39Å | 1.37Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.35Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.35Å | Aromatic |
| C17 | C03 | sing | 1.39Å | 1.36Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.35Å | Aromatic |
| C20 | C19 | doub | 1.39Å | 1.34Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.32Å | Aromatic |
| C12 | O01 | sing | 1.36Å | 1.37Å | |
| C03 | C18 | doub | 1.38Å | 1.34Å | Aromatic |
| C01 | C05 | sing | 1.53Å | 1.53Å | |
| C01 | C23 | sing | 1.53Å | 1.53Å | |
| O04 | C22 | doub | 1.21Å | 1.21Å | |
| F03 | C27 | sing | 1.40Å | 1.32Å | |
| C05 | C08 | sing | 1.53Å | 1.54Å | |
| C19 | C18 | sing | 1.39Å | 1.37Å | Aromatic |
| C19 | O02 | sing | 1.36Å | 1.38Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C26 | C06 | sing | 1.53Å | 1.54Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C22 | C06 | sing | 1.51Å | 1.53Å | |
| C22 | N01 | sing | 1.35Å | 1.37Å | |
| C24 | C27 | sing | 1.53Å | 1.47Å | |
| C24 | C16 | sing | 1.53Å | 1.54Å | |
| O02 | C08 | sing | 1.43Å | 1.39Å | |
| C27 | F02 | sing | 1.40Å | 1.30Å | |
| C27 | F01 | sing | 1.40Å | 1.31Å | |
| C23 | N01 | sing | 1.46Å | 1.48Å | |
| C06 | C09 | sing | 1.53Å | 1.53Å | |
| C09 | C16 | sing | 1.53Å | 1.53Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H07 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H05 | sing | 1.08Å | 1.08Å | |
| C24 | H02 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C03 | H18 | sing | 1.08Å | 1.08Å | |
| C05 | H09 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C06 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H23 | sing | 1.09Å | 1.10Å | |
| C09 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H08 | sing | 1.08Å | 1.08Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H03 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H06 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.08Å | 1.08Å | |
| C30 | H27 | sing | 1.08Å | 1.08Å | |
| C32 | H29 | sing | 1.08Å | 1.08Å | |
| N01 | H24 | sing | 0.97Å | 1.00Å | |
| O01 | H04 | sing | 0.97Å | 0.95Å | |
| O05 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O05 | C31 | C32 | 124.1° | 120.0° |
| O05 | C31 | C30 | 118.9° | 119.9° |
| C31 | O05 | H28 | 109.5° | 114.0° |
| C32 | C31 | C30 | 117.0° | 120.1° |
| C31 | C32 | C15 | 122.7° | 120.1° |
| C31 | C32 | H29 | 118.6° | 120.0° |
| C31 | C30 | C29 | 121.4° | 120.5° |
| C31 | C30 | H27 | 119.3° | 119.8° |
| C32 | C15 | S01 | 129.2° | 130.3° |
| C32 | C15 | C28 | 117.8° | 119.8° |
| C15 | C32 | H29 | 118.6° | 119.9° |
| C30 | C29 | C28 | 119.2° | 120.5° |
| C30 | C29 | H26 | 120.4° | 119.7° |
| C29 | C30 | H27 | 119.3° | 119.7° |
| S01 | C15 | C28 | 113.0° | 109.9° |
| C15 | S01 | C02 | 94.6° | 92.3° |
| C15 | C28 | C29 | 121.8° | 118.9° |
| C15 | C28 | C04 | 110.9° | 111.9° |
| S01 | C02 | C04 | 112.5° | 111.2° |
| S01 | C02 | C07 | 123.5° | 124.4° |
| C29 | C28 | C04 | 127.3° | 129.1° |
| C28 | C29 | H26 | 120.4° | 119.7° |
| C28 | C04 | C02 | 109.0° | 114.6° |
| C28 | C04 | O03 | 122.0° | 122.7° |
| C04 | C02 | C07 | 123.9° | 124.4° |
| C02 | C04 | O03 | 129.0° | 122.7° |
| C02 | C07 | C10 | 122.8° | 120.1° |
| C02 | C07 | C14 | 125.3° | 120.1° |
| C04 | O03 | C17 | 120.0° | 118.0° |
| C07 | C10 | C11 | 124.4° | 119.9° |
| C10 | C07 | C14 | 111.8° | 119.8° |
| C07 | C10 | H10 | 117.8° | 120.0° |
| C10 | C11 | C12 | 121.6° | 120.1° |
| C11 | C10 | H10 | 117.8° | 120.1° |
| C10 | C11 | H11 | 119.2° | 120.0° |
| C07 | C14 | C13 | 125.2° | 119.9° |
| C07 | C14 | H08 | 117.4° | 120.0° |
| O03 | C17 | C21 | 120.0° | 120.0° |
| O03 | C17 | C03 | 122.2° | 120.0° |
| C17 | C21 | C20 | 120.0° | 120.0° |
| C21 | C17 | C03 | 117.8° | 120.0° |
| C17 | C21 | H05 | 120.0° | 120.0° |
| C21 | C20 | C19 | 122.0° | 120.0° |
| C21 | C20 | H20 | 119.0° | 120.0° |
| C20 | C21 | H05 | 120.0° | 120.0° |
| C11 | C12 | C13 | 115.5° | 120.2° |
| C11 | C12 | O01 | 121.5° | 119.9° |
| C12 | C11 | H11 | 119.2° | 119.9° |
| C17 | C03 | C18 | 121.5° | 120.0° |
| C17 | C03 | H18 | 119.2° | 120.0° |
| C14 | C13 | C12 | 121.3° | 120.1° |
| C14 | C13 | H07 | 119.3° | 119.9° |
| C13 | C14 | H08 | 117.4° | 120.0° |
| C20 | C19 | C18 | 118.3° | 120.0° |
| C20 | C19 | O02 | 121.5° | 119.9° |
| C19 | C20 | H20 | 119.0° | 120.1° |
| C13 | C12 | O01 | 122.9° | 119.9° |
| C12 | C13 | H07 | 119.4° | 120.0° |
| C12 | O01 | H04 | 109.5° | 114.0° |
| C03 | C18 | C19 | 120.3° | 120.0° |
| C18 | C03 | H18 | 119.3° | 120.0° |
| C03 | C18 | H03 | 119.8° | 120.0° |
| C05 | C01 | C23 | 107.1° | 109.5° |
| C01 | C05 | C08 | 110.5° | 109.5° |
| C05 | C01 | H01 | 110.1° | 109.5° |
| C05 | C01 | H12 | 110.1° | 109.4° |
| C01 | C05 | H09 | 109.2° | 109.4° |
| C01 | C05 | H13 | 109.2° | 109.5° |
| C01 | C23 | N01 | 109.7° | 109.5° |
| C23 | C01 | H01 | 110.1° | 109.5° |
| C23 | C01 | H12 | 110.1° | 109.5° |
| C01 | C23 | H19 | 109.4° | 109.5° |
| C01 | C23 | H21 | 109.4° | 109.5° |
| O04 | C22 | C06 | 120.3° | 120.0° |
| O04 | C22 | N01 | 117.1° | 120.0° |
| F03 | C27 | C24 | 110.8° | 109.5° |
| F03 | C27 | F02 | 107.8° | 109.5° |
| F03 | C27 | F01 | 108.4° | 109.5° |
| C05 | C08 | O02 | 103.8° | 109.4° |
| C08 | C05 | H09 | 109.2° | 109.4° |
| C08 | C05 | H13 | 109.2° | 109.5° |
| C05 | C08 | H17 | 110.9° | 109.5° |
| C05 | C08 | H16 | 110.9° | 109.5° |
| C18 | C19 | O02 | 120.0° | 120.0° |
| C19 | C18 | H03 | 119.8° | 120.0° |
| C19 | O02 | C08 | 121.1° | 116.9° |
| C25 | C26 | C06 | 114.7° | 109.5° |
| C26 | C25 | C24 | 111.7° | 109.5° |
| C25 | C26 | H32 | 108.2° | 109.4° |
| C25 | C26 | H31 | 108.1° | 109.5° |
| C26 | C25 | H06 | 108.9° | 109.5° |
| C26 | C25 | H30 | 108.9° | 109.5° |
| C26 | C06 | C22 | 108.0° | 109.5° |
| C26 | C06 | C09 | 111.7° | 109.5° |
| C06 | C26 | H32 | 108.1° | 109.5° |
| C06 | C26 | H31 | 108.1° | 109.5° |
| C26 | C06 | H14 | 108.2° | 109.5° |
| C25 | C24 | C27 | 113.5° | 109.5° |
| C25 | C24 | C16 | 109.4° | 109.5° |
| C25 | C24 | H02 | 106.3° | 109.4° |
| C24 | C25 | H06 | 108.9° | 109.4° |
| C24 | C25 | H30 | 108.9° | 109.4° |
| C06 | C22 | N01 | 122.5° | 120.0° |
| C22 | C06 | C09 | 112.0° | 109.5° |
| C22 | C06 | H14 | 108.4° | 109.5° |
| C22 | N01 | C23 | 123.7° | 120.0° |
| C22 | N01 | H24 | 118.2° | 120.0° |
| C27 | C24 | C16 | 113.6° | 109.5° |
| C24 | C27 | F02 | 112.3° | 109.5° |
| C24 | C27 | F01 | 110.7° | 109.5° |
| C27 | C24 | H02 | 107.0° | 109.5° |
| C24 | C16 | C09 | 113.4° | 109.5° |
| C16 | C24 | H02 | 106.3° | 109.5° |
| C24 | C16 | H25 | 108.5° | 109.5° |
| C24 | C16 | H15 | 108.5° | 109.5° |
| O02 | C08 | H17 | 110.9° | 109.5° |
| O02 | C08 | H16 | 110.9° | 109.5° |
| F02 | C27 | F01 | 106.6° | 109.5° |
| N01 | C23 | H19 | 109.4° | 109.5° |
| N01 | C23 | H21 | 109.4° | 109.5° |
| C23 | N01 | H24 | 118.2° | 120.0° |
| C06 | C09 | C16 | 112.8° | 109.5° |
| C09 | C06 | H14 | 108.4° | 109.4° |
| C06 | C09 | H23 | 108.6° | 109.5° |
| C06 | C09 | H22 | 108.7° | 109.4° |
| C16 | C09 | H23 | 108.6° | 109.5° |
| C16 | C09 | H22 | 108.6° | 109.4° |
| C09 | C16 | H25 | 108.5° | 109.5° |
| C09 | C16 | H15 | 108.5° | 109.5° |
| H32 | C26 | H31 | 109.5° | 109.5° |
| H01 | C01 | H12 | 109.5° | 109.4° |
| H09 | C05 | H13 | 109.4° | 109.6° |
| H17 | C08 | H16 | 109.5° | 109.5° |
| H23 | C09 | H22 | 109.5° | 109.5° |
| H25 | C16 | H15 | 109.5° | 109.4° |
| H19 | C23 | H21 | 109.5° | 109.4° |
| H06 | C25 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O05 | C31 | C32 | C30 | 179.1° | 179.6° |
| O05 | C31 | C32 | C15 | 179.8° | 180.0° |
| O05 | C31 | C30 | C29 | 178.6° | 179.7° |
| O05 | C31 | C30 | H27 | 1.5° | 0.2° |
| O05 | C31 | C32 | H29 | 0.2° | 0.4° |
| C31 | C32 | C15 | H29 | 180.0° | 179.6° |
| C32 | C31 | C30 | C29 | 0.6° | 0.2° |
| C31 | C32 | C15 | S01 | 178.6° | 179.9° |
| C31 | C32 | C15 | C28 | 2.4° | 0.4° |
| C32 | C31 | C30 | H27 | 179.4° | 179.8° |
| C32 | C31 | O05 | H28 | 180.0° | 89.9° |
| C30 | C31 | C32 | C15 | 1.2° | 0.4° |
| C31 | C30 | C29 | H27 | 180.0° | 180.0° |
| C31 | C30 | C29 | C28 | 1.0° | 0.0° |
| C31 | C30 | C29 | H26 | 179.0° | 179.9° |
| C30 | C31 | C32 | H29 | 178.8° | 180.0° |
| C30 | C31 | O05 | H28 | 1.0° | 89.6° |
| C32 | C15 | S01 | C28 | 179.1° | 179.7° |
| C32 | C15 | S01 | C02 | 176.8° | 179.7° |
| C32 | C15 | C28 | C29 | 1.9° | 0.2° |
| C32 | C15 | C28 | C04 | 178.4° | 179.7° |
| C30 | C29 | C28 | C15 | 0.2° | 0.0° |
| C30 | C29 | C28 | H26 | 180.0° | 180.0° |
| C30 | C29 | C28 | C04 | 180.0° | 180.0° |
| S01 | C15 | C28 | C29 | 179.0° | 179.9° |
| S01 | C15 | C28 | C04 | 0.8° | 0.0° |
| C15 | S01 | C02 | C04 | 3.0° | 0.0° |
| C15 | S01 | C02 | C07 | 179.1° | 180.0° |
| S01 | C15 | C32 | H29 | 1.4° | 0.3° |
| C28 | C15 | S01 | C02 | 2.2° | 0.0° |
| C15 | C28 | C29 | C04 | 179.7° | 180.0° |
| C15 | C28 | C04 | C02 | 1.3° | 0.0° |
| C15 | C28 | C04 | O03 | 178.0° | 180.0° |
| C15 | C28 | C29 | H26 | 179.8° | 180.0° |
| C28 | C15 | C32 | H29 | 177.7° | 180.0° |
| S01 | C02 | C04 | C28 | 2.9° | 0.0° |
| S01 | C02 | C04 | C07 | 177.9° | 180.0° |
| S01 | C02 | C04 | O03 | 176.3° | 180.0° |
| S01 | C02 | C07 | C10 | 23.6° | 46.2° |
| S01 | C02 | C07 | C14 | 160.9° | 133.7° |
| C29 | C28 | C04 | C02 | 178.9° | 180.0° |
| C29 | C28 | C04 | O03 | 1.7° | 0.1° |
| C28 | C29 | C30 | H27 | 179.0° | 180.0° |
| C28 | C04 | C02 | O03 | 179.3° | 180.0° |
| C28 | C04 | C02 | C07 | 179.2° | 180.0° |
| C28 | C04 | O03 | C17 | 93.5° | 90.0° |
| C04 | C28 | C29 | H26 | 0.0° | 0.0° |
| C04 | C02 | C07 | C10 | 158.8° | 133.7° |
| C04 | C02 | C07 | C14 | 16.8° | 46.3° |
| C02 | C04 | O03 | C17 | 87.3° | 90.0° |
| C07 | C02 | C04 | O03 | 1.6° | 0.0° |
| C02 | C07 | C10 | C14 | 176.1° | 180.0° |
| C02 | C07 | C10 | C11 | 178.2° | 180.0° |
| C02 | C07 | C14 | C13 | 178.4° | 180.0° |
| C02 | C07 | C10 | H10 | 1.9° | 0.3° |
| C02 | C07 | C14 | H08 | 1.6° | 0.0° |
| C04 | O03 | C17 | C21 | 2.7° | 0.3° |
| C04 | O03 | C17 | C03 | 178.8° | 180.0° |
| C07 | C10 | C11 | H10 | 180.0° | 179.7° |
| C07 | C10 | C11 | C12 | 0.9° | 0.0° |
| C10 | C07 | C14 | C13 | 2.4° | 0.0° |
| C07 | C10 | C11 | H11 | 179.1° | 179.9° |
| C10 | C07 | C14 | H08 | 177.6° | 180.0° |
| C11 | C10 | C07 | C14 | 2.0° | 0.0° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.1° | 0.1° |
| C10 | C11 | C12 | O01 | 178.5° | 180.0° |
| C07 | C14 | C13 | H08 | 180.0° | 179.9° |
| C07 | C14 | C13 | C12 | 1.7° | 0.0° |
| C14 | C07 | C10 | H10 | 178.0° | 179.8° |
| C07 | C14 | C13 | H07 | 178.3° | 180.0° |
| O03 | C17 | C21 | C03 | 178.5° | 179.7° |
| O03 | C17 | C21 | C20 | 179.3° | 179.7° |
| O03 | C17 | C03 | C18 | 178.6° | 179.7° |
| O03 | C17 | C21 | H05 | 0.7° | 0.4° |
| O03 | C17 | C03 | H18 | 1.4° | 0.2° |
| C17 | C21 | C20 | H05 | 180.0° | 179.9° |
| C17 | C21 | C20 | C19 | 0.2° | 0.0° |
| C21 | C17 | C03 | C18 | 0.1° | 0.0° |
| C17 | C21 | C20 | H20 | 179.7° | 179.9° |
| C21 | C17 | C03 | H18 | 179.9° | 179.9° |
| C20 | C21 | C17 | C03 | 0.8° | 0.0° |
| C21 | C20 | C19 | H20 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 2.0° | 0.1° |
| C21 | C20 | C19 | O02 | 177.9° | 180.0° |
| C11 | C12 | C13 | C14 | 0.3° | 0.0° |
| C11 | C12 | C13 | O01 | 178.5° | 179.9° |
| C12 | C11 | C10 | H10 | 179.1° | 179.7° |
| C11 | C12 | C13 | H07 | 179.8° | 180.0° |
| C11 | C12 | O01 | H04 | 180.0° | 89.9° |
| C17 | C03 | C18 | H18 | 180.0° | 179.9° |
| C17 | C03 | C18 | C19 | 1.7° | 0.1° |
| C03 | C17 | C21 | H05 | 179.2° | 179.9° |
| C17 | C03 | C18 | H03 | 178.4° | 180.0° |
| C14 | C13 | C12 | H07 | 180.0° | 180.0° |
| C14 | C13 | C12 | O01 | 178.8° | 180.0° |
| C20 | C19 | C18 | C03 | 2.7° | 0.1° |
| C20 | C19 | C18 | O02 | 176.0° | 179.9° |
| C20 | C19 | O02 | C08 | 115.3° | 179.9° |
| C19 | C20 | C21 | H05 | 179.8° | 179.9° |
| C20 | C19 | C18 | H03 | 177.3° | 180.0° |
| C13 | C12 | C11 | H11 | 179.9° | 180.0° |
| C12 | C13 | C14 | H08 | 178.3° | 180.0° |
| C13 | C12 | O01 | H04 | 1.5° | 90.0° |
| O01 | C12 | C13 | H07 | 1.2° | 0.1° |
| O01 | C12 | C11 | H11 | 1.6° | 0.1° |
| C03 | C18 | C19 | H03 | 180.0° | 179.9° |
| C03 | C18 | C19 | O02 | 178.6° | 180.0° |
| C05 | C01 | C23 | H01 | 119.6° | 120.1° |
| C05 | C01 | C23 | H12 | 119.6° | 120.0° |
| C01 | C05 | C08 | H09 | 120.2° | 119.9° |
| C01 | C05 | C08 | H13 | 120.2° | 120.0° |
| C01 | C05 | C08 | O02 | 164.0° | 180.0° |
| C05 | C01 | C23 | N01 | 49.5° | 180.0° |
| C05 | C01 | H01 | H12 | 121.1° | 120.0° |
| C01 | C05 | H09 | H13 | 119.5° | 120.0° |
| C01 | C05 | C08 | H17 | 44.9° | 60.1° |
| C01 | C05 | C08 | H16 | 76.9° | 60.0° |
| C05 | C01 | C23 | H19 | 70.5° | 59.9° |
| C05 | C01 | C23 | H21 | 169.5° | 60.0° |
| C23 | C01 | C05 | C08 | 51.5° | 180.0° |
| C01 | C23 | N01 | C22 | 61.5° | 180.0° |
| C01 | C23 | N01 | H19 | 120.0° | 120.1° |
| C01 | C23 | N01 | H21 | 120.0° | 120.0° |
| C23 | C01 | H01 | H12 | 121.1° | 120.0° |
| C23 | C01 | C05 | H09 | 68.7° | 60.1° |
| C23 | C01 | C05 | H13 | 171.6° | 60.0° |
| C01 | C23 | H19 | H21 | 119.9° | 120.0° |
| C01 | C23 | N01 | H24 | 118.5° | 0.0° |
| O04 | C22 | C06 | C26 | 50.4° | 0.0° |
| O04 | C22 | C06 | N01 | 180.0° | 180.0° |
| O04 | C22 | N01 | C23 | 0.5° | 0.0° |
| O04 | C22 | C06 | C09 | 73.0° | 120.0° |
| O04 | C22 | C06 | H14 | 167.5° | 120.0° |
| O04 | C22 | N01 | H24 | 179.5° | 180.0° |
| F03 | C27 | C24 | C25 | 58.0° | 60.0° |
| F03 | C27 | C24 | F02 | 120.6° | 120.0° |
| F03 | C27 | C24 | F01 | 120.3° | 120.0° |
| F03 | C27 | C24 | C16 | 176.0° | 180.0° |
| F03 | C27 | F02 | F01 | 116.2° | 120.0° |
| F03 | C27 | C24 | H02 | 59.0° | 60.0° |
| C05 | C08 | O02 | C19 | 75.2° | 180.0° |
| C05 | C08 | O02 | H17 | 119.1° | 119.9° |
| C05 | C08 | O02 | H16 | 119.1° | 120.0° |
| C08 | C05 | C01 | H01 | 68.2° | 59.9° |
| C08 | C05 | C01 | H12 | 171.1° | 60.0° |
| C08 | C05 | H09 | H13 | 119.6° | 120.1° |
| C05 | C08 | H17 | H16 | 122.7° | 120.1° |
| C18 | C19 | O02 | C08 | 68.8° | 0.0° |
| C18 | C19 | C20 | H20 | 178.0° | 180.0° |
| C19 | C18 | C03 | H18 | 178.3° | 180.0° |
| O02 | C19 | C20 | H20 | 2.1° | 0.1° |
| C19 | O02 | C08 | H17 | 43.9° | 60.0° |
| C19 | O02 | C08 | H16 | 165.7° | 60.0° |
| O02 | C19 | C18 | H03 | 1.4° | 0.0° |
| C25 | C26 | C06 | H32 | 120.8° | 120.0° |
| C25 | C26 | C06 | H31 | 120.7° | 120.0° |
| C26 | C25 | C24 | H06 | 120.3° | 120.0° |
| C26 | C25 | C24 | H30 | 120.4° | 120.0° |
| C25 | C26 | C06 | C22 | 171.9° | 180.0° |
| C26 | C25 | C24 | C27 | 176.8° | 180.0° |
| C26 | C25 | C24 | C16 | 55.1° | 60.0° |
| C25 | C26 | C06 | C09 | 48.3° | 60.0° |
| C26 | C25 | C24 | H02 | 59.4° | 60.0° |
| C25 | C26 | H32 | H31 | 117.6° | 120.0° |
| C25 | C26 | C06 | H14 | 71.0° | 60.0° |
| C26 | C25 | H06 | H30 | 119.0° | 120.1° |
| C06 | C26 | C25 | C24 | 52.9° | 60.0° |
| C26 | C06 | C22 | C09 | 123.4° | 120.0° |
| C26 | C06 | C22 | H14 | 117.0° | 120.0° |
| C26 | C06 | C22 | N01 | 129.5° | 180.0° |
| C26 | C06 | C09 | H14 | 119.2° | 120.0° |
| C26 | C06 | C09 | C16 | 47.4° | 60.0° |
| C06 | C26 | H32 | H31 | 117.6° | 120.0° |
| C26 | C06 | C09 | H23 | 167.9° | 180.0° |
| C26 | C06 | C09 | H22 | 73.1° | 60.0° |
| C06 | C26 | C25 | H06 | 173.2° | 60.0° |
| C06 | C26 | C25 | H30 | 67.4° | 179.9° |
| C25 | C24 | C27 | C16 | 125.9° | 120.0° |
| C25 | C24 | C27 | H02 | 117.0° | 120.0° |
| C25 | C24 | C16 | H02 | 114.5° | 120.0° |
| C25 | C24 | C27 | F02 | 178.6° | 180.0° |
| C25 | C24 | C27 | F01 | 62.3° | 60.0° |
| C25 | C24 | C16 | C09 | 56.1° | 60.0° |
| C24 | C25 | C26 | H32 | 173.7° | 60.0° |
| C24 | C25 | C26 | H31 | 67.8° | 180.0° |
| C25 | C24 | C16 | H25 | 176.7° | 180.0° |
| C25 | C24 | C16 | H15 | 64.4° | 60.0° |
| C24 | C25 | H06 | H30 | 119.0° | 120.0° |
| C06 | C22 | N01 | C23 | 179.5° | 180.0° |
| C22 | C06 | C09 | H14 | 119.5° | 120.0° |
| C22 | C06 | C09 | C16 | 168.7° | 180.0° |
| C22 | C06 | C26 | H32 | 67.3° | 60.0° |
| C22 | C06 | C26 | H31 | 51.2° | 60.0° |
| C22 | C06 | C09 | H23 | 70.8° | 60.0° |
| C22 | C06 | C09 | H22 | 48.2° | 60.0° |
| C06 | C22 | N01 | H24 | 0.5° | 0.0° |
| C22 | N01 | C23 | H24 | 180.0° | 180.0° |
| N01 | C22 | C06 | C09 | 107.1° | 60.0° |
| N01 | C22 | C06 | H14 | 12.5° | 59.9° |
| C22 | N01 | C23 | H19 | 178.4° | 60.0° |
| C22 | N01 | C23 | H21 | 58.5° | 60.0° |
| C27 | C24 | C16 | H02 | 117.5° | 120.0° |
| C24 | C27 | F02 | F01 | 121.5° | 120.0° |
| C27 | C24 | C16 | C09 | 175.8° | 180.0° |
| C27 | C24 | C16 | H25 | 55.2° | 60.0° |
| C27 | C24 | C16 | H15 | 63.6° | 60.0° |
| C27 | C24 | C25 | H06 | 56.5° | 60.0° |
| C27 | C24 | C25 | H30 | 62.8° | 60.0° |
| C16 | C24 | C27 | F02 | 55.4° | 60.0° |
| C16 | C24 | C27 | F01 | 63.7° | 60.0° |
| C24 | C16 | C09 | C06 | 53.2° | 60.0° |
| C24 | C16 | C09 | H25 | 120.6° | 120.0° |
| C24 | C16 | C09 | H15 | 120.6° | 120.1° |
| C24 | C16 | C09 | H23 | 173.6° | 180.0° |
| C24 | C16 | C09 | H22 | 67.3° | 60.0° |
| C24 | C16 | H25 | H15 | 118.2° | 120.0° |
| C16 | C24 | C25 | H06 | 175.4° | 60.0° |
| C16 | C24 | C25 | H30 | 65.3° | 180.0° |
| O02 | C08 | C05 | H09 | 75.8° | 60.1° |
| O02 | C08 | C05 | H13 | 43.8° | 60.0° |
| O02 | C08 | H17 | H16 | 122.7° | 120.0° |
| F02 | C27 | C24 | H02 | 61.6° | 60.0° |
| F01 | C27 | C24 | H02 | 179.3° | 180.0° |
| N01 | C23 | C01 | H01 | 169.1° | 60.0° |
| N01 | C23 | C01 | H12 | 70.1° | 60.0° |
| N01 | C23 | H19 | H21 | 119.9° | 120.0° |
| C06 | C09 | C16 | H23 | 120.5° | 120.0° |
| C06 | C09 | C16 | H22 | 120.5° | 120.0° |
| C09 | C06 | C26 | H32 | 169.1° | 60.0° |
| C09 | C06 | C26 | H31 | 72.4° | 180.0° |
| C06 | C09 | H23 | H22 | 118.5° | 120.0° |
| C06 | C09 | C16 | H25 | 173.7° | 180.0° |
| C06 | C09 | C16 | H15 | 67.4° | 60.1° |
| C09 | C16 | C24 | H02 | 58.4° | 60.0° |
| C16 | C09 | C06 | H14 | 71.8° | 60.0° |
| C16 | C09 | H23 | H22 | 118.5° | 120.0° |
| C09 | C16 | H25 | H15 | 118.2° | 120.0° |
| H10 | C10 | C11 | H11 | 0.9° | 0.2° |
| H07 | C13 | C14 | H08 | 1.6° | 0.0° |
| H20 | C20 | C21 | H05 | 0.3° | 0.0° |
| H02 | C24 | C16 | H25 | 62.2° | 60.0° |
| H02 | C24 | C16 | H15 | 178.9° | 180.0° |
| H02 | C24 | C25 | H06 | 61.0° | 180.0° |
| H02 | C24 | C25 | H30 | 179.7° | 60.0° |
| H32 | C26 | C06 | H14 | 49.8° | 180.0° |
| H32 | C26 | C25 | H06 | 66.0° | 180.0° |
| H32 | C26 | C25 | H30 | 53.4° | 59.9° |
| H31 | C26 | C06 | H14 | 168.3° | 60.0° |
| H31 | C26 | C25 | H06 | 52.5° | 60.1° |
| H31 | C26 | C25 | H30 | 171.8° | 60.0° |
| H01 | C01 | C05 | H09 | 171.7° | 60.0° |
| H01 | C01 | C05 | H13 | 52.0° | 180.0° |
| H01 | C01 | C23 | H19 | 49.1° | 180.0° |
| H01 | C01 | C23 | H21 | 70.8° | 60.0° |
| H12 | C01 | C05 | H09 | 50.9° | 179.9° |
| H12 | C01 | C05 | H13 | 68.7° | 60.0° |
| H12 | C01 | C23 | H19 | 169.9° | 60.0° |
| H12 | C01 | C23 | H21 | 49.9° | 180.0° |
| H18 | C03 | C18 | H03 | 1.7° | 0.1° |
| H09 | C05 | C08 | H17 | 165.1° | 180.0° |
| H09 | C05 | C08 | H16 | 43.3° | 59.9° |
| H13 | C05 | C08 | H17 | 75.2° | 59.9° |
| H13 | C05 | C08 | H16 | 162.9° | NaN° |
| H14 | C06 | C09 | H23 | 48.7° | 60.0° |
| H14 | C06 | C09 | H22 | 167.7° | 180.0° |
| H23 | C09 | C16 | H25 | 65.8° | 60.0° |
| H23 | C09 | C16 | H15 | 53.1° | 60.0° |
| H22 | C09 | C16 | H25 | 53.2° | 60.0° |
| H22 | C09 | C16 | H15 | 172.1° | 180.0° |
| H19 | C23 | N01 | H24 | 1.6° | 120.1° |
| H21 | C23 | N01 | H24 | 121.5° | 120.0° |
| H26 | C29 | C30 | H27 | 1.0° | 0.0° |
