6EY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| CL | C11 | sing | 1.74Å | 1.74Å | |
| C11 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| O1 | C2 | sing | 1.35Å | 1.34Å | |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | S5 | sing | 1.76Å | 1.77Å | |
| S5 | C4 | sing | 1.76Å | 1.77Å | |
| C2 | C4 | doub | 1.35Å | 1.35Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| S18 | C17 | sing | 1.76Å | 1.75Å | Aromatic |
| S18 | C19 | sing | 1.76Å | 1.76Å | Aromatic |
| C17 | C16 | doub | 1.33Å | 1.34Å | Aromatic |
| C4 | C13 | sing | 1.47Å | 1.46Å | |
| C3 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| C16 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.33Å | 1.33Å | Aromatic |
| C15 | N14 | sing | 1.46Å | 1.46Å | |
| C15 | C21 | sing | 1.51Å | 1.51Å | |
| C13 | O28 | doub | 1.22Å | 1.21Å | |
| C13 | N14 | sing | 1.35Å | 1.36Å | |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | O26 | sing | 1.36Å | 1.35Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| O1 | H7 | sing | 0.97Å | 0.95Å | |
| N14 | H8 | sing | 0.97Å | 1.00Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| O26 | H15 | sing | 0.97Å | 0.95Å | |
| C27 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C10 | C11 | 120.9° | 120.1° |
| C10 | C9 | C8 | 119.6° | 120.2° |
| C10 | C9 | H3 | 120.2° | 119.9° |
| C9 | C10 | H4 | 119.6° | 120.0° |
| C10 | C11 | CL | 118.6° | 120.0° |
| C10 | C11 | C6 | 119.6° | 119.9° |
| C11 | C10 | H4 | 119.5° | 120.0° |
| C9 | C8 | C7 | 120.2° | 120.1° |
| C9 | C8 | H2 | 119.9° | 120.0° |
| C8 | C9 | H3 | 120.2° | 119.9° |
| CL | C11 | C6 | 121.8° | 120.1° |
| C11 | C6 | C7 | 119.1° | 119.8° |
| C11 | C6 | S5 | 121.7° | 120.1° |
| O1 | C2 | C4 | 120.2° | 120.0° |
| O1 | C2 | C3 | 118.8° | 120.1° |
| C2 | O1 | H7 | 109.5° | 114.1° |
| C8 | C7 | C6 | 120.5° | 119.9° |
| C8 | C7 | H1 | 119.7° | 120.1° |
| C7 | C8 | H2 | 119.9° | 119.9° |
| C7 | C6 | S5 | 119.1° | 120.1° |
| C6 | C7 | H1 | 119.7° | 120.0° |
| C6 | S5 | C4 | 107.1° | 103.0° |
| S5 | C4 | C2 | 121.8° | 120.2° |
| S5 | C4 | C13 | 119.3° | 120.2° |
| C4 | C2 | C3 | 120.9° | 119.9° |
| C2 | C4 | C13 | 118.8° | 119.5° |
| C2 | C3 | C15 | 110.5° | 110.1° |
| C2 | C3 | H5 | 109.2° | 109.4° |
| C2 | C3 | H6 | 109.2° | 109.2° |
| C17 | S18 | C19 | 91.8° | 91.0° |
| S18 | C17 | C16 | 108.8° | 109.6° |
| S18 | C17 | H9 | 125.6° | 125.2° |
| S18 | C19 | C20 | 109.1° | 109.6° |
| S18 | C19 | H10 | 125.5° | 125.2° |
| C17 | C16 | C15 | 124.1° | 122.5° |
| C17 | C16 | C20 | 115.4° | 114.9° |
| C16 | C17 | H9 | 125.6° | 125.2° |
| C4 | C13 | O28 | 118.9° | 120.1° |
| C4 | C13 | N14 | 120.1° | 119.8° |
| C3 | C15 | C16 | 110.4° | 109.4° |
| C3 | C15 | N14 | 111.0° | 110.3° |
| C3 | C15 | C21 | 110.8° | 109.4° |
| C15 | C3 | H5 | 109.2° | 109.4° |
| C15 | C3 | H6 | 109.2° | 109.3° |
| C15 | C16 | C20 | 120.4° | 122.6° |
| C16 | C15 | N14 | 102.0° | 109.3° |
| C16 | C15 | C21 | 109.2° | 109.2° |
| C16 | C20 | C19 | 114.8° | 115.0° |
| C16 | C20 | H11 | 122.6° | 122.6° |
| C20 | C19 | H10 | 125.4° | 125.2° |
| C19 | C20 | H11 | 122.6° | 122.5° |
| N14 | C15 | C21 | 113.1° | 109.3° |
| C15 | N14 | C13 | 120.4° | 120.5° |
| C15 | N14 | H8 | 119.8° | 119.8° |
| C15 | C21 | C22 | 120.5° | 119.9° |
| C15 | C21 | C27 | 119.8° | 120.0° |
| O28 | C13 | N14 | 121.0° | 120.1° |
| C13 | N14 | H8 | 119.8° | 119.7° |
| C22 | C21 | C27 | 119.7° | 120.0° |
| C21 | C22 | C23 | 121.3° | 120.1° |
| C21 | C22 | H12 | 119.4° | 120.0° |
| C21 | C27 | C25 | 119.2° | 120.0° |
| C21 | C27 | H16 | 120.4° | 120.0° |
| C22 | C23 | C24 | 119.1° | 120.1° |
| C23 | C22 | H12 | 119.3° | 120.0° |
| C22 | C23 | H13 | 120.4° | 120.0° |
| C27 | C25 | C24 | 121.1° | 119.9° |
| C27 | C25 | O26 | 118.9° | 120.1° |
| C25 | C27 | H16 | 120.4° | 120.0° |
| C23 | C24 | C25 | 119.6° | 119.9° |
| C24 | C23 | H13 | 120.4° | 120.0° |
| C23 | C24 | H14 | 120.2° | 120.0° |
| C24 | C25 | O26 | 120.0° | 120.0° |
| C25 | C24 | H14 | 120.2° | 120.0° |
| C25 | O26 | H15 | 109.5° | 114.0° |
| H5 | C3 | H6 | 109.4° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C10 | C11 | H4 | 180.0° | 179.2° |
| C10 | C9 | C8 | H3 | 180.0° | 179.5° |
| C9 | C10 | C11 | CL | 179.8° | 179.5° |
| C9 | C10 | C11 | C6 | 0.4° | 0.5° |
| C10 | C9 | C8 | C7 | 0.5° | 0.4° |
| C10 | C9 | C8 | H2 | 179.5° | 179.5° |
| C11 | C10 | C9 | C8 | 0.5° | 0.7° |
| C10 | C11 | CL | C6 | 179.8° | 180.0° |
| C10 | C11 | C6 | C7 | 1.2° | 0.0° |
| C10 | C11 | C6 | S5 | 180.0° | 179.7° |
| C11 | C10 | C9 | H3 | 179.5° | 179.8° |
| C9 | C8 | C7 | H2 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 0.4° | 0.0° |
| C9 | C8 | C7 | H1 | 179.6° | 179.9° |
| C8 | C9 | C10 | H4 | 179.5° | 179.9° |
| CL | C11 | C6 | C7 | 178.9° | 180.0° |
| CL | C11 | C6 | S5 | 0.1° | 0.3° |
| CL | C11 | C10 | H4 | 0.2° | 0.3° |
| C11 | C6 | C7 | C8 | 1.3° | 0.3° |
| C11 | C6 | C7 | S5 | 178.8° | 179.7° |
| C11 | C6 | S5 | C4 | 167.0° | 173.8° |
| C11 | C6 | C7 | H1 | 178.7° | 179.7° |
| C6 | C11 | C10 | H4 | 179.6° | 179.7° |
| O1 | C2 | C4 | S5 | 1.2° | 2.2° |
| O1 | C2 | C4 | C3 | 179.4° | 180.0° |
| O1 | C2 | C4 | C13 | 179.2° | 178.1° |
| O1 | C2 | C3 | C15 | 148.8° | 146.1° |
| O1 | C2 | C3 | H5 | 91.0° | 93.6° |
| O1 | C2 | C3 | H6 | 28.6° | 26.0° |
| C8 | C7 | C6 | H1 | 180.0° | 180.0° |
| C8 | C7 | C6 | S5 | 179.9° | 180.0° |
| C7 | C8 | C9 | H3 | 179.5° | 179.9° |
| C7 | C6 | S5 | C4 | 14.2° | 5.9° |
| C6 | C7 | C8 | H2 | 179.6° | 180.0° |
| C6 | S5 | C4 | C2 | 87.2° | 114.0° |
| C6 | S5 | C4 | C13 | 94.8° | 66.3° |
| S5 | C6 | C7 | H1 | 0.1° | 0.0° |
| S5 | C4 | C2 | C13 | 178.0° | 179.7° |
| S5 | C4 | C2 | C3 | 179.4° | 177.8° |
| S5 | C4 | C13 | O28 | 15.6° | 13.6° |
| S5 | C4 | C13 | N14 | 165.4° | 166.4° |
| C4 | C2 | C3 | C15 | 30.6° | 33.9° |
| C2 | C4 | C13 | O28 | 162.4° | 166.1° |
| C2 | C4 | C13 | N14 | 16.6° | 13.9° |
| C4 | C2 | C3 | H5 | 89.5° | 86.3° |
| C4 | C2 | C3 | H6 | 150.8° | 154.0° |
| C4 | C2 | O1 | H7 | 180.0° | 5.1° |
| C3 | C2 | C4 | C13 | 1.4° | 1.9° |
| C2 | C3 | C15 | H5 | 120.2° | 120.3° |
| C2 | C3 | C15 | H6 | 120.2° | 120.0° |
| C2 | C3 | C15 | C16 | 64.8° | 70.2° |
| C2 | C3 | C15 | N14 | 47.6° | 50.1° |
| C2 | C3 | C15 | C21 | 174.1° | 170.3° |
| C2 | C3 | H5 | H6 | 119.6° | 119.6° |
| C3 | C2 | O1 | H7 | 0.5° | 174.9° |
| S18 | C17 | C16 | H9 | 180.0° | 180.0° |
| S18 | C17 | C16 | C15 | 178.6° | 180.0° |
| S18 | C17 | C16 | C20 | 0.5° | 0.3° |
| C17 | S18 | C19 | C20 | 0.8° | 0.3° |
| C17 | S18 | C19 | H10 | 179.2° | 180.0° |
| C19 | S18 | C17 | C16 | 0.8° | 0.0° |
| S18 | C19 | C20 | C16 | 0.7° | 0.6° |
| S18 | C19 | C20 | H10 | 180.0° | 179.7° |
| C19 | S18 | C17 | H9 | 179.2° | 180.0° |
| S18 | C19 | C20 | H11 | 179.3° | 179.8° |
| C17 | C16 | C15 | C3 | 37.7° | 29.7° |
| C17 | C16 | C15 | C20 | 179.1° | 179.7° |
| C17 | C16 | C20 | C19 | 0.1° | 0.6° |
| C17 | C16 | C15 | N14 | 155.8° | 150.6° |
| C17 | C16 | C15 | C21 | 84.3° | 89.9° |
| C17 | C16 | C20 | H11 | 179.9° | 179.8° |
| C4 | C13 | N14 | C15 | 4.2° | 6.4° |
| C4 | C13 | O28 | N14 | 179.0° | 180.0° |
| C4 | C13 | N14 | H8 | 175.8° | 173.6° |
| C3 | C15 | C16 | N14 | 118.1° | 120.8° |
| C3 | C15 | C16 | C21 | 122.0° | 119.6° |
| C3 | C15 | C16 | C20 | 141.3° | 149.9° |
| C3 | C15 | N14 | C21 | 125.2° | 120.2° |
| C3 | C15 | N14 | C13 | 36.6° | 38.7° |
| C3 | C15 | C21 | C22 | 109.0° | 30.1° |
| C3 | C15 | C21 | C27 | 70.5° | 150.3° |
| C15 | C3 | H5 | H6 | 119.5° | 119.7° |
| C3 | C15 | N14 | H8 | 143.4° | 141.3° |
| C15 | C16 | C20 | C19 | 179.3° | 179.7° |
| C16 | C15 | N14 | C21 | 117.1° | 119.5° |
| C16 | C15 | N14 | C13 | 81.0° | 81.6° |
| C16 | C15 | C21 | C22 | 12.8° | 89.6° |
| C16 | C15 | C21 | C27 | 167.7° | 90.1° |
| C16 | C15 | C3 | H5 | 175.0° | 169.6° |
| C16 | C15 | C3 | H6 | 55.4° | 49.8° |
| C16 | C15 | N14 | H8 | 99.0° | 98.4° |
| C15 | C16 | C17 | H9 | 1.4° | 0.0° |
| C15 | C16 | C20 | H11 | 0.7° | 0.1° |
| C16 | C20 | C19 | H11 | 180.0° | 179.6° |
| C20 | C16 | C15 | N14 | 23.2° | 29.1° |
| C20 | C16 | C15 | C21 | 96.6° | 90.4° |
| C20 | C16 | C17 | H9 | 179.4° | 179.7° |
| C16 | C20 | C19 | H10 | 179.3° | 179.8° |
| C15 | N14 | C13 | O28 | 176.8° | 173.6° |
| C15 | N14 | C13 | H8 | 180.0° | 180.0° |
| N14 | C15 | C21 | C22 | 125.6° | 150.8° |
| N14 | C15 | C21 | C27 | 54.9° | 29.5° |
| N14 | C15 | C3 | H5 | 72.6° | 70.2° |
| N14 | C15 | C3 | H6 | 167.8° | 170.1° |
| C21 | C15 | N14 | C13 | 161.9° | 158.9° |
| C15 | C21 | C22 | C27 | 179.6° | 179.7° |
| C15 | C21 | C22 | C23 | 179.9° | 180.0° |
| C15 | C21 | C27 | C25 | 179.9° | 179.7° |
| C21 | C15 | C3 | H5 | 53.9° | 50.0° |
| C21 | C15 | C3 | H6 | 65.7° | 69.7° |
| C21 | C15 | N14 | H8 | 18.1° | 21.1° |
| C15 | C21 | C22 | H12 | 0.1° | 0.0° |
| C15 | C21 | C27 | H16 | 0.1° | 0.1° |
| O28 | C13 | N14 | H8 | 3.2° | 6.4° |
| C21 | C22 | C23 | H12 | 180.0° | 180.0° |
| C22 | C21 | C27 | C25 | 0.5° | 0.6° |
| C21 | C22 | C23 | C24 | 0.0° | 0.0° |
| C21 | C22 | C23 | H13 | 180.0° | 180.0° |
| C22 | C21 | C27 | H16 | 179.5° | 179.8° |
| C27 | C21 | C22 | C23 | 0.4° | 0.3° |
| C21 | C27 | C25 | H16 | 180.0° | 179.6° |
| C21 | C27 | C25 | C24 | 0.3° | 0.6° |
| C21 | C27 | C25 | O26 | 179.4° | 179.7° |
| C27 | C21 | C22 | H12 | 179.7° | 179.7° |
| C22 | C23 | C24 | H13 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.2° | 0.0° |
| C22 | C23 | C24 | H14 | 179.8° | 179.9° |
| C27 | C25 | C24 | C23 | 0.1° | 0.3° |
| C27 | C25 | C24 | O26 | 179.6° | 179.7° |
| C27 | C25 | C24 | H14 | 179.9° | 179.8° |
| C27 | C25 | O26 | H15 | 180.0° | 89.7° |
| C23 | C24 | C25 | H14 | 180.0° | 179.9° |
| C23 | C24 | C25 | O26 | 179.7° | 180.0° |
| C24 | C23 | C22 | H12 | 180.0° | 180.0° |
| C25 | C24 | C23 | H13 | 179.8° | 180.0° |
| C24 | C25 | O26 | H15 | 0.4° | 90.0° |
| C24 | C25 | C27 | H16 | 179.7° | 179.8° |
| O26 | C25 | C24 | H14 | 0.3° | 0.1° |
| O26 | C25 | C27 | H16 | 0.7° | 0.1° |
| H1 | C7 | C8 | H2 | 0.4° | 0.0° |
| H2 | C8 | C9 | H3 | 0.5° | 0.0° |
| H3 | C9 | C10 | H4 | 0.5° | 0.6° |
| H10 | C19 | C20 | H11 | 0.7° | 0.1° |
| H12 | C22 | C23 | H13 | 0.0° | 0.0° |
| H13 | C23 | C24 | H14 | 0.2° | 0.1° |
