A7Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| CZ | OZ | sing | 1.43Å | 1.43Å | |
| C4 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C1 | OZ | sing | 1.36Å | 1.37Å | |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C7 | sing | 1.48Å | 1.48Å | |
| N1 | C7 | sing | 1.35Å | 1.39Å | Aromatic |
| N1 | C12 | doub | 1.30Å | 1.31Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | NZ | sing | 1.36Å | 1.35Å | Aromatic |
| C8 | NZ | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C13 | sing | 1.48Å | 1.48Å | |
| NZ | C9 | sing | 1.46Å | 1.47Å | |
| C24 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C23 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.47Å | 1.47Å | |
| C16 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | O1 | sing | 1.36Å | 1.42Å | |
| C10 | C11 | trip | 1.17Å | 1.18Å | |
| O1 | S | sing | 1.52Å | 1.61Å | |
| O2 | S | doub | 1.42Å | 1.42Å | |
| S | O3 | doub | 1.42Å | 1.42Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C23 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.05Å | 1.06Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| C4 | H12 | sing | 1.08Å | 1.08Å | |
| C5 | H13 | sing | 1.08Å | 1.08Å | |
| C6 | H14 | sing | 1.08Å | 1.08Å | |
| CZ | H15 | sing | 1.09Å | 1.10Å | |
| CZ | H16 | sing | 1.09Å | 1.10Å | |
| CZ | H17 | sing | 1.09Å | 1.10Å | |
| S | F1 | sing | 1.61Å | 1.60Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | C4 | 120.4° | 120.2° |
| C5 | C6 | C1 | 119.2° | 120.2° |
| C6 | C5 | H13 | 119.8° | 119.8° |
| C5 | C6 | H14 | 120.4° | 119.9° |
| C5 | C4 | C3 | 120.5° | 120.0° |
| C5 | C4 | H12 | 119.8° | 120.0° |
| C4 | C5 | H13 | 119.8° | 119.9° |
| C6 | C1 | OZ | 125.9° | 120.0° |
| C6 | C1 | C2 | 120.8° | 120.1° |
| C1 | C6 | H14 | 120.4° | 119.9° |
| CZ | OZ | C1 | 118.6° | 117.0° |
| OZ | CZ | H15 | 109.5° | 109.4° |
| OZ | CZ | H16 | 109.4° | 109.5° |
| OZ | CZ | H17 | 109.5° | 109.5° |
| C4 | C3 | C2 | 119.2° | 119.8° |
| C4 | C3 | C7 | 119.3° | 120.1° |
| C3 | C4 | H12 | 119.8° | 120.0° |
| OZ | C1 | C2 | 113.2° | 119.9° |
| C1 | C2 | C3 | 119.8° | 119.8° |
| C1 | C2 | H11 | 120.1° | 120.2° |
| C2 | C3 | C7 | 121.4° | 120.1° |
| C3 | C2 | H11 | 120.1° | 120.1° |
| C3 | C7 | N1 | 119.0° | 126.3° |
| C3 | C7 | C8 | 131.4° | 126.2° |
| C7 | N1 | C12 | 105.5° | 109.6° |
| N1 | C7 | C8 | 109.3° | 107.5° |
| N1 | C12 | NZ | 113.2° | 109.4° |
| N1 | C12 | H10 | 123.4° | 125.3° |
| C7 | C8 | NZ | 105.7° | 106.2° |
| C7 | C8 | C13 | 133.5° | 126.9° |
| C12 | NZ | C8 | 106.2° | 107.3° |
| C12 | NZ | C9 | 125.9° | 126.3° |
| NZ | C12 | H10 | 123.4° | 125.3° |
| NZ | C8 | C13 | 120.6° | 126.9° |
| C8 | NZ | C9 | 127.6° | 126.4° |
| C8 | C13 | C24 | 121.1° | 120.1° |
| C8 | C13 | C14 | 120.0° | 120.1° |
| NZ | C9 | C10 | 112.8° | 109.4° |
| NZ | C9 | H7 | 108.6° | 109.5° |
| NZ | C9 | H8 | 108.6° | 109.4° |
| C13 | C24 | C23 | 120.8° | 119.9° |
| C24 | C13 | C14 | 118.6° | 119.8° |
| C13 | C24 | H6 | 119.6° | 120.1° |
| C24 | C23 | C16 | 119.7° | 120.1° |
| C24 | C23 | H5 | 120.2° | 119.9° |
| C23 | C24 | H6 | 119.6° | 120.1° |
| C13 | C14 | C15 | 120.8° | 119.9° |
| C13 | C14 | H4 | 119.6° | 120.1° |
| C23 | C16 | C15 | 120.3° | 120.2° |
| C23 | C16 | O1 | 120.4° | 119.9° |
| C16 | C23 | H5 | 120.2° | 120.0° |
| C14 | C15 | C16 | 119.7° | 120.1° |
| C14 | C15 | H3 | 120.1° | 120.0° |
| C15 | C14 | H4 | 119.6° | 120.0° |
| C9 | C10 | C11 | 177.3° | 179.9° |
| C10 | C9 | H7 | 108.6° | 109.5° |
| C10 | C9 | H8 | 108.6° | 109.5° |
| C15 | C16 | O1 | 119.4° | 120.0° |
| C16 | C15 | H3 | 120.1° | 119.9° |
| C16 | O1 | S | 119.8° | 114.0° |
| C10 | C11 | H9 | 180.0° | 180.0° |
| O1 | S | O2 | 107.8° | 106.4° |
| O1 | S | O3 | 106.1° | 106.4° |
| O1 | S | F1 | 101.9° | 107.2° |
| O2 | S | O3 | 121.1° | 123.2° |
| O2 | S | F1 | 109.2° | 106.4° |
| O3 | S | F1 | 108.9° | 106.4° |
| H7 | C9 | H8 | 109.5° | 109.5° |
| H15 | CZ | H16 | 109.5° | 109.5° |
| H15 | CZ | H17 | 109.4° | 109.5° |
| H16 | CZ | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | C4 | H13 | 180.0° | 179.7° |
| C5 | C6 | C1 | H14 | 180.0° | 179.7° |
| C6 | C5 | C4 | C3 | 0.3° | 0.0° |
| C5 | C6 | C1 | OZ | 176.9° | 180.0° |
| C5 | C6 | C1 | C2 | 0.9° | 0.2° |
| C6 | C5 | C4 | H12 | 179.6° | 180.0° |
| C4 | C5 | C6 | C1 | 0.1° | 0.3° |
| C5 | C4 | C3 | H12 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.4° | 0.3° |
| C5 | C4 | C3 | C7 | 177.1° | 180.0° |
| C4 | C5 | C6 | H14 | 179.9° | 180.0° |
| C6 | C1 | OZ | CZ | 1.6° | 0.1° |
| C6 | C1 | OZ | C2 | 177.9° | 179.8° |
| C6 | C1 | C2 | C3 | 1.6° | 0.1° |
| C6 | C1 | C2 | H11 | 178.4° | 180.0° |
| C1 | C6 | C5 | H13 | 179.9° | 179.9° |
| CZ | OZ | C1 | C2 | 179.5° | 179.7° |
| OZ | CZ | H15 | H16 | 120.0° | 120.1° |
| OZ | CZ | H15 | H17 | 120.0° | 120.0° |
| OZ | CZ | H16 | H17 | 120.0° | 120.0° |
| C4 | C3 | C2 | C1 | 1.4° | 0.3° |
| C4 | C3 | C2 | C7 | 177.4° | 179.7° |
| C4 | C3 | C7 | N1 | 25.3° | 144.7° |
| C4 | C3 | C7 | C8 | 147.1° | 35.8° |
| C4 | C3 | C2 | H11 | 178.6° | 179.7° |
| C3 | C4 | C5 | H13 | 179.7° | 179.7° |
| OZ | C1 | C2 | C3 | 176.4° | 179.7° |
| OZ | C1 | C2 | H11 | 3.6° | 0.2° |
| OZ | C1 | C6 | H14 | 3.2° | 0.3° |
| C1 | OZ | CZ | H15 | 180.0° | 60.1° |
| C1 | OZ | CZ | H16 | 60.0° | 60.0° |
| C1 | OZ | CZ | H17 | 60.0° | 180.0° |
| C1 | C2 | C3 | H11 | 180.0° | 180.0° |
| C1 | C2 | C3 | C7 | 176.1° | 180.0° |
| C2 | C1 | C6 | H14 | 179.1° | 179.9° |
| C2 | C3 | C7 | N1 | 157.3° | 35.0° |
| C2 | C3 | C7 | C8 | 30.3° | 144.5° |
| C2 | C3 | C4 | H12 | 179.6° | 179.7° |
| C3 | C7 | N1 | C8 | 174.0° | 179.6° |
| C3 | C7 | N1 | C12 | 172.1° | 180.0° |
| C3 | C7 | C8 | NZ | 170.2° | 180.0° |
| C3 | C7 | C8 | C13 | 13.6° | 0.3° |
| C7 | C3 | C2 | H11 | 3.9° | 0.0° |
| C7 | C3 | C4 | H12 | 2.9° | 0.0° |
| C7 | N1 | C12 | NZ | 0.2° | 0.2° |
| N1 | C7 | C8 | NZ | 2.8° | 0.4° |
| N1 | C7 | C8 | C13 | 173.5° | 179.9° |
| C7 | N1 | C12 | H10 | 179.8° | 179.7° |
| C12 | N1 | C7 | C8 | 1.9° | 0.4° |
| N1 | C12 | NZ | H10 | 180.0° | 179.9° |
| N1 | C12 | NZ | C8 | 1.5° | 0.1° |
| N1 | C12 | NZ | C9 | 173.1° | 180.0° |
| C7 | C8 | NZ | C12 | 2.6° | 0.3° |
| C7 | C8 | NZ | C13 | 176.8° | 179.7° |
| C7 | C8 | NZ | C9 | 171.9° | 179.8° |
| C7 | C8 | C13 | C24 | 60.4° | 134.7° |
| C7 | C8 | C13 | C14 | 124.3° | 46.1° |
| C12 | NZ | C8 | C9 | 174.5° | 179.9° |
| C12 | NZ | C8 | C13 | 174.3° | 180.0° |
| C12 | NZ | C9 | C10 | 87.9° | 95.1° |
| C12 | NZ | C9 | H7 | 151.6° | 25.0° |
| C12 | NZ | C9 | H8 | 32.6° | 145.0° |
| NZ | C8 | C13 | C24 | 123.8° | 44.9° |
| NZ | C8 | C13 | C14 | 51.4° | 134.3° |
| C8 | NZ | C9 | C10 | 98.7° | 85.0° |
| C8 | NZ | C9 | H7 | 21.8° | 155.0° |
| C8 | NZ | C9 | H8 | 140.9° | 34.9° |
| C8 | NZ | C12 | H10 | 178.5° | 180.0° |
| C13 | C8 | NZ | C9 | 11.2° | 0.1° |
| C8 | C13 | C24 | C14 | 175.3° | 179.2° |
| C8 | C13 | C24 | C23 | 173.2° | 180.0° |
| C8 | C13 | C14 | C15 | 173.3° | 179.7° |
| C8 | C13 | C14 | H4 | 6.7° | 0.3° |
| C8 | C13 | C24 | H6 | 6.7° | 0.8° |
| NZ | C9 | C10 | H7 | 120.5° | 120.0° |
| NZ | C9 | C10 | H8 | 120.5° | 119.9° |
| NZ | C9 | C10 | C11 | 170.8° | 158.1° |
| NZ | C9 | H7 | H8 | 118.5° | 120.0° |
| C9 | NZ | C12 | H10 | 6.9° | 0.1° |
| C13 | C24 | C23 | H6 | 180.0° | 179.2° |
| C13 | C24 | C23 | C16 | 0.5° | 0.5° |
| C24 | C13 | C14 | C15 | 2.1° | 0.5° |
| C24 | C13 | C14 | H4 | 177.9° | 179.5° |
| C13 | C24 | C23 | H5 | 179.5° | 179.5° |
| C23 | C24 | C13 | C14 | 2.1° | 0.8° |
| C24 | C23 | C16 | H5 | 180.0° | 179.9° |
| C24 | C23 | C16 | C15 | 1.0° | 0.1° |
| C24 | C23 | C16 | O1 | 178.7° | 179.7° |
| C13 | C14 | C15 | H4 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.6° | 0.0° |
| C13 | C14 | C15 | H3 | 179.5° | 180.0° |
| C14 | C13 | C24 | H6 | 177.9° | 180.0° |
| C23 | C16 | C15 | C14 | 1.0° | 0.3° |
| C23 | C16 | C15 | O1 | 179.7° | 179.7° |
| C23 | C16 | O1 | S | 73.6° | 90.3° |
| C23 | C16 | C15 | H3 | 178.9° | 179.7° |
| C16 | C23 | C24 | H6 | 179.5° | 179.7° |
| C14 | C15 | C16 | H3 | 180.0° | 180.0° |
| C14 | C15 | C16 | O1 | 178.7° | 180.0° |
| C10 | C9 | H7 | H8 | 118.5° | 120.0° |
| C9 | C10 | C11 | H9 | 164.9° | 161.7° |
| C15 | C16 | O1 | S | 106.1° | 90.0° |
| C16 | C15 | C14 | H4 | 179.4° | 179.9° |
| C15 | C16 | C23 | H5 | 178.9° | 180.0° |
| C16 | O1 | S | O2 | 20.1° | 32.1° |
| C16 | O1 | S | O3 | 111.0° | 165.0° |
| O1 | C16 | C15 | H3 | 1.3° | 0.0° |
| O1 | C16 | C23 | H5 | 1.4° | 0.3° |
| C16 | O1 | S | F1 | 135.0° | 81.4° |
| C11 | C10 | C9 | H7 | 68.8° | 38.0° |
| C11 | C10 | C9 | H8 | 50.3° | 82.0° |
| O1 | S | O2 | O3 | 122.3° | 123.0° |
| O1 | S | O2 | F1 | 110.0° | 114.0° |
| O1 | S | O3 | F1 | 109.1° | 114.1° |
| O2 | S | O3 | F1 | 127.8° | 123.0° |
| H3 | C15 | C14 | H4 | 0.5° | 0.0° |
| H5 | C23 | C24 | H6 | 0.5° | 0.2° |
| H12 | C4 | C5 | H13 | 0.3° | 0.3° |
| H13 | C5 | C6 | H14 | 0.1° | 0.3° |
| H15 | CZ | H16 | H17 | 120.0° | 120.0° |
