2ZL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| O9 | S8 | doub | 1.42Å | 1.44Å | |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| O10 | S8 | doub | 1.42Å | 1.44Å | |
| C6 | C2 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| S8 | N7 | sing | 1.66Å | 1.53Å | |
| S8 | C18 | sing | 1.76Å | 1.60Å | |
| C2 | N7 | sing | 1.47Å | 1.46Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| N7 | C11 | sing | 1.46Å | 1.46Å | |
| C1 | N3 | sing | 1.35Å | 1.33Å | |
| C1 | O4 | doub | 1.21Å | 1.22Å | |
| C18 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | O5 | sing | 1.42Å | 1.39Å | |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C25 | sing | 1.51Å | 1.51Å | |
| C21 | F24 | sing | 1.35Å | 1.34Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| N3 | H7 | sing | 0.97Å | 1.00Å | |
| O5 | H8 | sing | 0.97Å | 0.95Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C16 | C17 | 120.3° | 120.0° |
| C16 | C15 | C14 | 120.1° | 120.0° |
| C16 | C15 | H11 | 120.0° | 119.9° |
| C15 | C16 | H12 | 119.8° | 120.1° |
| C16 | C17 | C12 | 119.7° | 120.0° |
| C17 | C16 | H12 | 119.9° | 120.0° |
| C16 | C17 | H13 | 120.2° | 120.0° |
| C15 | C14 | C13 | 119.5° | 120.0° |
| C15 | C14 | H5 | 120.2° | 120.0° |
| C14 | C15 | H11 | 119.9° | 120.1° |
| C17 | C12 | C13 | 120.0° | 120.0° |
| C17 | C12 | C11 | 122.2° | 120.0° |
| C12 | C17 | H13 | 120.1° | 120.0° |
| O9 | S8 | O10 | 109.7° | 123.1° |
| O9 | S8 | N7 | 109.7° | 106.3° |
| O9 | S8 | C18 | 108.9° | 106.4° |
| C14 | C13 | C12 | 120.4° | 120.0° |
| C14 | C13 | H4 | 119.8° | 120.0° |
| C13 | C14 | H5 | 120.2° | 120.0° |
| O10 | S8 | N7 | 110.6° | 106.4° |
| O10 | S8 | C18 | 110.1° | 106.4° |
| C6 | C2 | N7 | 112.4° | 109.5° |
| C6 | C2 | C1 | 109.0° | 109.5° |
| C2 | C6 | H1 | 109.5° | 109.4° |
| C2 | C6 | H2 | 109.5° | 109.5° |
| C2 | C6 | H3 | 109.5° | 109.4° |
| C6 | C2 | H6 | 107.7° | 109.5° |
| C13 | C12 | C11 | 117.9° | 120.0° |
| C12 | C13 | H4 | 119.8° | 120.0° |
| C12 | C11 | N7 | 116.9° | 109.5° |
| C12 | C11 | H9 | 107.5° | 109.4° |
| C12 | C11 | H10 | 107.6° | 109.5° |
| N7 | S8 | C18 | 107.9° | 107.2° |
| S8 | N7 | C2 | 121.7° | 120.0° |
| S8 | N7 | C11 | 122.6° | 120.1° |
| S8 | C18 | C23 | 120.2° | 119.9° |
| S8 | C18 | C19 | 120.4° | 120.0° |
| N7 | C2 | C1 | 111.1° | 109.5° |
| C2 | N7 | C11 | 115.5° | 120.0° |
| N7 | C2 | H6 | 108.5° | 109.4° |
| C2 | C1 | N3 | 117.3° | 120.0° |
| C2 | C1 | O4 | 120.4° | 120.0° |
| C1 | C2 | H6 | 108.0° | 109.5° |
| N7 | C11 | H9 | 107.6° | 109.5° |
| N7 | C11 | H10 | 107.6° | 109.5° |
| N3 | C1 | O4 | 122.3° | 120.1° |
| C1 | N3 | O5 | 119.9° | 120.0° |
| C1 | N3 | H7 | 120.1° | 120.1° |
| C23 | C18 | C19 | 119.4° | 120.1° |
| C18 | C23 | C22 | 120.2° | 120.0° |
| C18 | C23 | H16 | 119.9° | 120.0° |
| C18 | C19 | C20 | 120.3° | 120.0° |
| C18 | C19 | H14 | 119.8° | 120.0° |
| O5 | N3 | H7 | 120.1° | 119.9° |
| N3 | O5 | H8 | 109.5° | 114.0° |
| C23 | C22 | C21 | 120.1° | 120.0° |
| C23 | C22 | H15 | 119.9° | 120.0° |
| C22 | C23 | H16 | 119.9° | 120.0° |
| C19 | C20 | C21 | 120.1° | 120.0° |
| C19 | C20 | C25 | 120.1° | 120.0° |
| C20 | C19 | H14 | 119.8° | 120.0° |
| C22 | C21 | C20 | 119.8° | 120.0° |
| C22 | C21 | F24 | 120.1° | 120.0° |
| C21 | C22 | H15 | 120.0° | 120.0° |
| C21 | C20 | C25 | 119.8° | 120.0° |
| C20 | C21 | F24 | 120.0° | 120.0° |
| C20 | C25 | H17 | 109.5° | 109.5° |
| C20 | C25 | H18 | 109.4° | 109.4° |
| C20 | C25 | H19 | 109.4° | 109.4° |
| H1 | C6 | H2 | 109.5° | 109.5° |
| H1 | C6 | H3 | 109.5° | 109.5° |
| H2 | C6 | H3 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H17 | C25 | H18 | 109.5° | 109.5° |
| H17 | C25 | H19 | 109.5° | 109.5° |
| H18 | C25 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C16 | C17 | H12 | 180.0° | 179.7° |
| C16 | C15 | C14 | H11 | 180.0° | 179.9° |
| C15 | C16 | C17 | C12 | 0.3° | 0.3° |
| C16 | C15 | C14 | C13 | 0.0° | 0.0° |
| C16 | C15 | C14 | H5 | 180.0° | 179.9° |
| C15 | C16 | C17 | H13 | 179.7° | 180.0° |
| C17 | C16 | C15 | C14 | 0.1° | 0.3° |
| C16 | C17 | C12 | H13 | 180.0° | 179.7° |
| C16 | C17 | C12 | C13 | 0.4° | 0.0° |
| C16 | C17 | C12 | C11 | 180.0° | 180.0° |
| C17 | C16 | C15 | H11 | 179.9° | 179.7° |
| C15 | C14 | C13 | H5 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.2° |
| C15 | C14 | C13 | H4 | 179.9° | 179.9° |
| C14 | C15 | C16 | H12 | 179.9° | 180.0° |
| C17 | C12 | C13 | C14 | 0.3° | 0.2° |
| C17 | C12 | C13 | C11 | 179.6° | 180.0° |
| C17 | C12 | C11 | N7 | 35.8° | 85.5° |
| C17 | C12 | C13 | H4 | 179.7° | 179.9° |
| C17 | C12 | C11 | H9 | 156.9° | 154.5° |
| C17 | C12 | C11 | H10 | 85.2° | 34.6° |
| C12 | C17 | C16 | H12 | 179.7° | 180.0° |
| O9 | S8 | O10 | N7 | 121.1° | 122.9° |
| O9 | S8 | O10 | C18 | 119.8° | 123.0° |
| O9 | S8 | N7 | C18 | 118.5° | 113.5° |
| O9 | S8 | N7 | C2 | 20.1° | 166.2° |
| O9 | S8 | N7 | C11 | 164.8° | 13.9° |
| O9 | S8 | C18 | C23 | 18.9° | 23.5° |
| O9 | S8 | C18 | C19 | 160.6° | 156.8° |
| C14 | C13 | C12 | H4 | 180.0° | 179.8° |
| C14 | C13 | C12 | C11 | 180.0° | 179.8° |
| C13 | C14 | C15 | H11 | 180.0° | 180.0° |
| O10 | S8 | N7 | C18 | 120.4° | 113.6° |
| O10 | S8 | N7 | C2 | 141.1° | 33.3° |
| O10 | S8 | N7 | C11 | 43.8° | 146.7° |
| O10 | S8 | C18 | C23 | 139.1° | 156.4° |
| O10 | S8 | C18 | C19 | 40.4° | 23.8° |
| C6 | C2 | N7 | S8 | 146.6° | 18.6° |
| C6 | C2 | N7 | C1 | 122.5° | 120.0° |
| C6 | C2 | N7 | H6 | 119.0° | 120.0° |
| C6 | C2 | C1 | H6 | 116.7° | 120.0° |
| C6 | C2 | N7 | C11 | 37.9° | 161.4° |
| C6 | C2 | C1 | N3 | 125.3° | 77.8° |
| C6 | C2 | C1 | O4 | 55.0° | 102.5° |
| C2 | C6 | H1 | H2 | 120.0° | 120.0° |
| C2 | C6 | H1 | H3 | 120.0° | 119.9° |
| C2 | C6 | H2 | H3 | 120.0° | 120.0° |
| C13 | C12 | C11 | N7 | 143.8° | 94.5° |
| C12 | C13 | C14 | H5 | 179.9° | 179.8° |
| C13 | C12 | C11 | H9 | 22.8° | 25.5° |
| C13 | C12 | C11 | H10 | 95.1° | 145.4° |
| C13 | C12 | C17 | H13 | 179.6° | 179.7° |
| C12 | C11 | N7 | S8 | 73.5° | 95.4° |
| C12 | C11 | N7 | C2 | 111.1° | 84.7° |
| C12 | C11 | N7 | H9 | 121.0° | 119.9° |
| C12 | C11 | N7 | H10 | 121.1° | 120.0° |
| C11 | C12 | C13 | H4 | 0.0° | 0.1° |
| C12 | C11 | H9 | H10 | 116.6° | 119.9° |
| C11 | C12 | C17 | H13 | 0.0° | 0.3° |
| S8 | N7 | C2 | C11 | 175.4° | 180.0° |
| S8 | N7 | C2 | C1 | 90.9° | 101.4° |
| N7 | S8 | C18 | C23 | 100.1° | 90.0° |
| N7 | S8 | C18 | C19 | 80.4° | 89.8° |
| S8 | N7 | C2 | H6 | 27.7° | 138.6° |
| S8 | N7 | C11 | H9 | 47.5° | 24.5° |
| S8 | N7 | C11 | H10 | 165.4° | 144.6° |
| C18 | S8 | N7 | C2 | 98.4° | 80.3° |
| C18 | S8 | N7 | C11 | 76.7° | 99.7° |
| S8 | C18 | C23 | C19 | 179.5° | 179.7° |
| S8 | C18 | C23 | C22 | 179.9° | 179.8° |
| S8 | C18 | C19 | C20 | 179.9° | 180.0° |
| S8 | C18 | C19 | H14 | 0.1° | 0.1° |
| S8 | C18 | C23 | H16 | 0.1° | 0.1° |
| N7 | C2 | C1 | H6 | 118.9° | 120.0° |
| N7 | C2 | C1 | N3 | 110.3° | 162.2° |
| N7 | C2 | C1 | O4 | 69.4° | 17.5° |
| N7 | C2 | C6 | H1 | 180.0° | 58.2° |
| N7 | C2 | C6 | H2 | 60.0° | 178.2° |
| N7 | C2 | C6 | H3 | 60.0° | 61.8° |
| C2 | N7 | C11 | H9 | 127.9° | 155.4° |
| C2 | N7 | C11 | H10 | 10.0° | 35.4° |
| C1 | C2 | N7 | C11 | 84.5° | 78.6° |
| C2 | C1 | N3 | O4 | 179.7° | 179.7° |
| C2 | C1 | N3 | O5 | 151.3° | 179.7° |
| C1 | C2 | C6 | H1 | 56.3° | 178.2° |
| C1 | C2 | C6 | H2 | 63.6° | 61.8° |
| C1 | C2 | C6 | H3 | 176.3° | 58.2° |
| C2 | C1 | N3 | H7 | 28.7° | 0.3° |
| C11 | N7 | C2 | H6 | 156.9° | 41.4° |
| N7 | C11 | H9 | H10 | 116.6° | 120.1° |
| C1 | N3 | O5 | H7 | 180.0° | 179.9° |
| N3 | C1 | C2 | H6 | 8.5° | 42.2° |
| C1 | N3 | O5 | H8 | 13.0° | 180.0° |
| O4 | C1 | N3 | O5 | 29.0° | 0.0° |
| O4 | C1 | C2 | H6 | 171.8° | 137.5° |
| O4 | C1 | N3 | H7 | 151.0° | 180.0° |
| C18 | C23 | C22 | H16 | 180.0° | 179.8° |
| C23 | C18 | C19 | C20 | 0.4° | 0.3° |
| C18 | C23 | C22 | C21 | 0.4° | 0.5° |
| C23 | C18 | C19 | H14 | 179.6° | 179.8° |
| C18 | C23 | C22 | H15 | 179.6° | 179.8° |
| C19 | C18 | C23 | C22 | 0.6° | 0.5° |
| C18 | C19 | C20 | H14 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.0° | 0.1° |
| C18 | C19 | C20 | C25 | 179.8° | 180.0° |
| C19 | C18 | C23 | H16 | 179.4° | 179.7° |
| C23 | C22 | C21 | H15 | 180.0° | 179.7° |
| C23 | C22 | C21 | C20 | 0.0° | 0.3° |
| C23 | C22 | C21 | F24 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 0.2° | 0.1° |
| C19 | C20 | C21 | C25 | 179.8° | 180.0° |
| C19 | C20 | C21 | F24 | 179.9° | 180.0° |
| C19 | C20 | C25 | H17 | 89.9° | 89.9° |
| C19 | C20 | C25 | H18 | 150.1° | 150.0° |
| C19 | C20 | C25 | H19 | 30.1° | 30.0° |
| C22 | C21 | C20 | F24 | 180.0° | 180.0° |
| C22 | C21 | C20 | C25 | 180.0° | 180.0° |
| C21 | C22 | C23 | H16 | 179.6° | 179.7° |
| C21 | C20 | C19 | H14 | 180.0° | 180.0° |
| C20 | C21 | C22 | H15 | 180.0° | 180.0° |
| C21 | C20 | C25 | H17 | 89.9° | 90.0° |
| C21 | C20 | C25 | H18 | 30.1° | 30.0° |
| C21 | C20 | C25 | H19 | 150.1° | 150.0° |
| C25 | C20 | C21 | F24 | 0.1° | 0.0° |
| C25 | C20 | C19 | H14 | 0.2° | 0.1° |
| C20 | C25 | H17 | H18 | 120.0° | 120.0° |
| C20 | C25 | H17 | H19 | 120.0° | 120.0° |
| C20 | C25 | H18 | H19 | 119.9° | 119.9° |
| F24 | C21 | C22 | H15 | 0.1° | 0.1° |
| H1 | C6 | H2 | H3 | 120.0° | 120.1° |
| H1 | C6 | C2 | H6 | 60.6° | 61.8° |
| H2 | C6 | C2 | H6 | 179.5° | 58.2° |
| H3 | C6 | C2 | H6 | 59.4° | 178.2° |
| H4 | C13 | C14 | H5 | 0.1° | 0.0° |
| H5 | C14 | C15 | H11 | 0.0° | 0.0° |
| H7 | N3 | O5 | H8 | 167.0° | 0.0° |
| H11 | C15 | C16 | H12 | 0.1° | 0.0° |
| H12 | C16 | C17 | H13 | 0.3° | 0.3° |
| H15 | C22 | C23 | H16 | 0.4° | 0.0° |
| H17 | C25 | H18 | H19 | 120.0° | 120.0° |
