7WY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C26 | sing | 1.74Å | 1.74Å | |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | N09 | sing | 1.40Å | 1.44Å | |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| N09 | C08 | sing | 1.47Å | 1.43Å | |
| N09 | C10 | sing | 1.39Å | 1.46Å | |
| N22 | C19 | sing | 1.39Å | 1.42Å | |
| C08 | C07 | sing | 1.53Å | 1.51Å | |
| C17 | C16 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | N20 | doub | 1.32Å | 1.34Å | Aromatic |
| C15 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.41Å | 1.37Å | Aromatic |
| C16 | C14 | sing | 1.48Å | 1.39Å | |
| C16 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| N20 | C21 | sing | 1.32Å | 1.35Å | Aromatic |
| C14 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C07 | N04 | sing | 1.46Å | 1.44Å | |
| C11 | C03 | sing | 1.48Å | 1.44Å | |
| C11 | C12 | doub | 1.39Å | 1.43Å | Aromatic |
| N04 | C03 | sing | 1.37Å | 1.31Å | Aromatic |
| N04 | N05 | sing | 1.28Å | 1.38Å | Aromatic |
| C03 | C02 | doub | 1.35Å | 1.44Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| N05 | N06 | doub | 1.29Å | 1.33Å | Aromatic |
| C02 | N06 | sing | 1.34Å | 1.33Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.51Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C24 | H5 | sing | 1.08Å | 1.08Å | |
| C28 | H6 | sing | 1.08Å | 1.08Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| N22 | H16 | sing | 0.97Å | 1.00Å | |
| N22 | H17 | sing | 0.97Å | 1.00Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C27 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C26 | C27 | 118.7° | 119.9° |
| CL | C26 | C25 | 120.9° | 120.0° |
| C27 | C26 | C25 | 120.5° | 120.1° |
| C26 | C27 | C28 | 120.0° | 120.0° |
| C26 | C27 | H19 | 120.0° | 120.0° |
| C26 | C25 | C24 | 119.7° | 120.1° |
| C26 | C25 | H18 | 120.2° | 119.9° |
| C27 | C28 | C23 | 120.2° | 120.0° |
| C27 | C28 | H6 | 119.9° | 120.0° |
| C28 | C27 | H19 | 120.0° | 120.0° |
| C25 | C24 | C23 | 120.0° | 119.9° |
| C25 | C24 | H5 | 120.0° | 120.1° |
| C24 | C25 | H18 | 120.2° | 120.0° |
| C28 | C23 | C24 | 119.7° | 119.8° |
| C28 | C23 | N09 | 119.0° | 120.1° |
| C23 | C28 | H6 | 119.9° | 120.0° |
| C24 | C23 | N09 | 121.2° | 120.1° |
| C23 | C24 | H5 | 120.0° | 120.0° |
| C23 | N09 | C08 | 115.4° | 118.8° |
| C23 | N09 | C10 | 117.1° | 118.9° |
| C17 | C18 | C19 | 119.3° | 119.2° |
| C18 | C17 | C16 | 119.7° | 118.4° |
| C18 | C17 | H3 | 120.2° | 120.8° |
| C17 | C18 | H15 | 120.3° | 120.4° |
| C18 | C19 | N22 | 120.1° | 119.6° |
| C18 | C19 | N20 | 119.8° | 120.9° |
| C19 | C18 | H15 | 120.3° | 120.4° |
| C08 | N09 | C10 | 127.3° | 122.3° |
| N09 | C08 | C07 | 112.6° | 110.2° |
| N09 | C08 | H12 | 108.7° | 109.4° |
| N09 | C08 | H13 | 108.7° | 109.2° |
| N09 | C10 | C15 | 117.9° | 122.2° |
| N09 | C10 | C11 | 120.2° | 118.1° |
| N22 | C19 | N20 | 120.1° | 119.5° |
| C19 | N22 | H16 | 109.5° | 120.0° |
| C19 | N22 | H17 | 109.4° | 120.1° |
| C08 | C07 | N04 | 112.1° | 110.4° |
| C08 | C07 | H10 | 108.8° | 109.3° |
| C08 | C07 | H11 | 108.8° | 109.2° |
| C07 | C08 | H12 | 108.7° | 109.3° |
| C07 | C08 | H13 | 108.7° | 109.3° |
| C17 | C16 | C14 | 119.5° | 120.4° |
| C17 | C16 | C21 | 118.9° | 119.1° |
| C16 | C17 | H3 | 120.1° | 120.8° |
| C19 | N20 | C21 | 122.1° | 121.8° |
| C10 | C15 | C14 | 119.5° | 119.7° |
| C15 | C10 | C11 | 121.8° | 119.7° |
| C10 | C15 | H2 | 120.3° | 120.1° |
| C15 | C14 | C16 | 118.2° | 119.8° |
| C15 | C14 | C13 | 119.6° | 120.3° |
| C14 | C15 | H2 | 120.2° | 120.2° |
| C10 | C11 | C03 | 126.3° | 116.8° |
| C10 | C11 | C12 | 118.5° | 120.4° |
| C14 | C16 | C21 | 121.6° | 120.5° |
| C16 | C14 | C13 | 122.2° | 119.9° |
| C16 | C21 | N20 | 120.2° | 120.7° |
| C16 | C21 | H4 | 119.9° | 119.6° |
| N20 | C21 | H4 | 119.9° | 119.7° |
| C14 | C13 | C12 | 120.7° | 120.2° |
| C14 | C13 | H1 | 119.7° | 119.8° |
| C07 | N04 | C03 | 118.9° | 123.5° |
| C07 | N04 | N05 | 131.6° | 129.0° |
| N04 | C07 | H10 | 108.8° | 109.3° |
| N04 | C07 | H11 | 108.8° | 109.3° |
| C03 | C11 | C12 | 115.1° | 122.8° |
| C11 | C03 | N04 | 126.3° | 122.5° |
| C11 | C03 | C02 | 127.8° | 130.9° |
| C11 | C12 | C13 | 119.9° | 119.7° |
| C11 | C12 | H14 | 120.1° | 120.2° |
| C03 | N04 | N05 | 109.2° | 107.5° |
| N04 | C03 | C02 | 105.9° | 106.5° |
| N04 | N05 | N06 | 109.0° | 110.6° |
| C03 | C02 | N06 | 107.8° | 106.0° |
| C03 | C02 | C01 | 128.5° | 127.0° |
| C12 | C13 | H1 | 119.6° | 119.9° |
| C13 | C12 | H14 | 120.0° | 120.2° |
| N05 | N06 | C02 | 108.2° | 109.4° |
| N06 | C02 | C01 | 123.7° | 127.0° |
| C02 | C01 | H7 | 109.5° | 109.4° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.4° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H10 | C07 | H11 | 109.5° | 109.3° |
| H12 | C08 | H13 | 109.5° | 109.4° |
| H16 | N22 | H17 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C26 | C27 | C25 | 180.0° | 179.8° |
| CL | C26 | C27 | C28 | 179.9° | 180.0° |
| CL | C26 | C25 | C24 | 179.8° | 179.7° |
| CL | C26 | C25 | H18 | 0.3° | 0.2° |
| CL | C26 | C27 | H19 | 0.1° | 0.2° |
| C26 | C27 | C28 | H19 | 180.0° | 179.8° |
| C27 | C26 | C25 | C24 | 0.2° | 0.1° |
| C26 | C27 | C28 | C23 | 0.0° | 0.5° |
| C26 | C27 | C28 | H6 | 180.0° | 180.0° |
| C27 | C26 | C25 | H18 | 179.7° | 180.0° |
| C25 | C26 | C27 | C28 | 0.1° | 0.2° |
| C26 | C25 | C24 | H18 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 0.6° | 0.1° |
| C26 | C25 | C24 | H5 | 179.4° | 179.7° |
| C25 | C26 | C27 | H19 | 179.9° | 180.0° |
| C27 | C28 | C23 | H6 | 180.0° | 179.5° |
| C27 | C28 | C23 | C24 | 0.3° | 0.5° |
| C27 | C28 | C23 | N09 | 176.2° | 179.5° |
| C25 | C24 | C23 | C28 | 0.6° | 0.2° |
| C25 | C24 | C23 | H5 | 180.0° | 179.9° |
| C25 | C24 | C23 | N09 | 176.4° | 179.8° |
| C28 | C23 | C24 | N09 | 175.8° | 180.0° |
| C28 | C23 | N09 | C08 | 35.6° | 174.1° |
| C28 | C23 | N09 | C10 | 149.6° | 5.9° |
| C28 | C23 | C24 | H5 | 179.4° | 179.9° |
| C23 | C28 | C27 | H19 | 180.0° | 179.7° |
| C24 | C23 | N09 | C08 | 140.2° | 5.9° |
| C24 | C23 | N09 | C10 | 34.6° | 174.1° |
| C24 | C23 | C28 | H6 | 179.7° | 180.0° |
| C23 | C24 | C25 | H18 | 179.4° | 180.0° |
| C23 | N09 | C08 | C10 | 174.2° | 180.0° |
| C23 | N09 | C08 | C07 | 167.8° | 135.9° |
| C23 | N09 | C10 | C15 | 46.5° | 74.1° |
| C23 | N09 | C10 | C11 | 128.7° | 104.0° |
| N09 | C23 | C24 | H5 | 3.6° | 0.0° |
| N09 | C23 | C28 | H6 | 3.8° | 0.0° |
| C23 | N09 | C08 | H12 | 71.8° | 103.9° |
| C23 | N09 | C08 | H13 | 47.3° | 15.7° |
| C17 | C18 | C19 | H15 | 180.0° | 180.0° |
| C17 | C18 | C19 | N22 | 180.0° | 180.0° |
| C18 | C17 | C16 | H3 | 180.0° | 179.7° |
| C17 | C18 | C19 | N20 | 0.1° | 0.1° |
| C18 | C17 | C16 | C14 | 179.3° | 179.8° |
| C18 | C17 | C16 | C21 | 0.5° | 0.3° |
| C18 | C19 | N22 | N20 | 179.9° | 180.0° |
| C19 | C18 | C17 | C16 | 0.2° | 0.0° |
| C18 | C19 | N20 | C21 | 0.1° | 0.2° |
| C19 | C18 | C17 | H3 | 179.7° | 179.7° |
| C18 | C19 | N22 | H16 | 180.0° | 0.0° |
| C18 | C19 | N22 | H17 | 60.1° | 180.0° |
| N09 | C08 | C07 | H12 | 120.4° | 120.2° |
| N09 | C08 | C07 | H13 | 120.4° | 120.1° |
| C08 | N09 | C10 | C15 | 139.4° | 105.9° |
| C08 | N09 | C10 | C11 | 45.4° | 76.0° |
| N09 | C08 | C07 | N04 | 66.3° | 43.0° |
| N09 | C08 | C07 | H10 | 54.1° | 77.2° |
| N09 | C08 | C07 | H11 | 173.3° | 163.2° |
| N09 | C08 | H12 | H13 | 118.6° | 119.6° |
| C10 | N09 | C08 | C07 | 6.5° | 44.1° |
| N09 | C10 | C15 | C11 | 175.1° | 178.1° |
| N09 | C10 | C15 | C14 | 175.7° | 177.2° |
| N09 | C10 | C11 | C03 | 6.1° | 3.8° |
| N09 | C10 | C11 | C12 | 175.9° | 176.9° |
| N09 | C10 | C15 | H2 | 4.3° | 2.8° |
| C10 | N09 | C08 | H12 | 114.0° | 76.1° |
| C10 | N09 | C08 | H13 | 126.9° | 164.3° |
| N22 | C19 | N20 | C21 | 179.9° | 179.7° |
| N22 | C19 | C18 | H15 | 0.0° | 0.0° |
| C19 | N22 | H16 | H17 | 120.0° | 180.0° |
| C08 | C07 | N04 | H10 | 120.4° | 120.3° |
| C08 | C07 | N04 | H11 | 120.4° | 120.1° |
| C08 | C07 | N04 | C03 | 74.3° | 70.1° |
| C08 | C07 | N04 | N05 | 113.6° | 110.6° |
| C08 | C07 | H10 | H11 | 118.8° | 119.5° |
| C07 | C08 | H12 | H13 | 118.6° | 119.7° |
| C17 | C16 | C14 | C15 | 22.6° | 180.0° |
| C17 | C16 | C14 | C21 | 178.8° | 179.9° |
| C17 | C16 | C21 | N20 | 0.5° | 0.6° |
| C17 | C16 | C14 | C13 | 158.4° | 0.0° |
| C17 | C16 | C21 | H4 | 179.5° | 180.0° |
| C16 | C17 | C18 | H15 | 179.7° | 180.0° |
| C19 | N20 | C21 | C16 | 0.4° | 0.5° |
| C19 | N20 | C21 | H4 | 179.7° | 179.9° |
| N20 | C19 | C18 | H15 | 179.9° | 180.0° |
| N20 | C19 | N22 | H16 | 0.0° | 180.0° |
| N20 | C19 | N22 | H17 | 120.0° | 0.1° |
| C10 | C15 | C14 | H2 | 180.0° | 180.0° |
| C10 | C15 | C14 | C16 | 179.7° | 180.0° |
| C10 | C15 | C14 | C13 | 0.6° | 0.0° |
| C15 | C10 | C11 | C03 | 178.9° | 178.1° |
| C15 | C10 | C11 | C12 | 0.9° | 1.3° |
| C14 | C15 | C10 | C11 | 0.6° | 0.8° |
| C15 | C14 | C16 | C13 | 179.0° | 180.0° |
| C15 | C14 | C16 | C21 | 156.2° | 0.1° |
| C15 | C14 | C13 | C12 | 0.9° | 0.4° |
| C15 | C14 | C13 | H1 | 179.1° | 179.6° |
| C10 | C11 | C03 | C12 | 178.1° | 179.3° |
| C10 | C11 | C03 | N04 | 32.0° | 44.8° |
| C10 | C11 | C03 | C02 | 147.4° | 134.6° |
| C10 | C11 | C12 | C13 | 1.1° | 0.8° |
| C11 | C10 | C15 | H2 | 179.4° | 179.1° |
| C10 | C11 | C12 | H14 | 178.9° | 179.2° |
| C14 | C16 | C21 | N20 | 179.3° | 179.5° |
| C16 | C14 | C13 | C12 | 179.9° | 179.6° |
| C16 | C14 | C13 | H1 | 0.1° | 0.4° |
| C16 | C14 | C15 | H2 | 0.3° | 0.0° |
| C14 | C16 | C17 | H3 | 0.7° | 0.1° |
| C14 | C16 | C21 | H4 | 0.7° | 0.1° |
| C16 | C21 | N20 | H4 | 180.0° | 179.4° |
| C21 | C16 | C14 | C13 | 22.9° | 179.9° |
| C21 | C16 | C17 | H3 | 179.5° | 180.0° |
| C14 | C13 | C12 | C11 | 1.2° | 0.0° |
| C14 | C13 | C12 | H1 | 180.0° | 180.0° |
| C13 | C14 | C15 | H2 | 179.4° | 180.0° |
| C14 | C13 | C12 | H14 | 178.8° | 180.0° |
| C07 | N04 | C03 | C11 | 7.0° | 1.8° |
| C07 | N04 | C03 | N05 | 173.8° | 179.4° |
| C07 | N04 | C03 | C02 | 173.5° | 178.7° |
| C07 | N04 | N05 | N06 | 172.8° | 178.7° |
| N04 | C07 | H10 | H11 | 118.8° | 119.6° |
| N04 | C07 | C08 | H12 | 173.3° | 163.3° |
| N04 | C07 | C08 | H13 | 54.1° | 77.0° |
| C11 | C03 | N04 | C02 | 179.5° | 179.5° |
| C11 | C03 | N04 | N05 | 179.3° | 178.8° |
| C03 | C11 | C12 | C13 | 179.4° | 178.5° |
| C11 | C03 | C02 | N06 | 179.0° | 179.0° |
| C11 | C03 | C02 | C01 | 0.3° | 1.1° |
| C03 | C11 | C12 | H14 | 0.7° | 1.5° |
| C12 | C11 | C03 | N04 | 146.1° | 134.5° |
| C12 | C11 | C03 | C02 | 34.5° | 46.1° |
| C11 | C12 | C13 | H14 | 180.0° | 180.0° |
| C11 | C12 | C13 | H1 | 178.8° | 180.0° |
| C03 | N04 | N05 | N06 | 0.1° | 0.7° |
| N04 | C03 | C02 | N06 | 0.5° | 0.5° |
| N04 | C03 | C02 | C01 | 179.8° | 179.5° |
| C03 | N04 | C07 | H10 | 46.1° | 50.2° |
| C03 | N04 | C07 | H11 | 165.3° | 169.8° |
| N05 | N04 | C03 | C02 | 0.3° | 0.7° |
| N04 | N05 | N06 | C02 | 0.4° | 0.4° |
| N05 | N04 | C07 | H10 | 126.0° | 129.1° |
| N05 | N04 | C07 | H11 | 6.8° | 9.5° |
| C03 | C02 | N06 | N05 | 0.6° | 0.1° |
| C03 | C02 | N06 | C01 | 179.3° | 179.9° |
| C03 | C02 | C01 | H7 | 179.2° | 90.0° |
| C03 | C02 | C01 | H8 | 59.2° | 30.0° |
| C03 | C02 | C01 | H9 | 60.8° | 150.0° |
| N05 | N06 | C02 | C01 | 179.9° | 179.8° |
| N06 | C02 | C01 | H7 | 0.0° | 89.9° |
| N06 | C02 | C01 | H8 | 120.0° | 150.0° |
| N06 | C02 | C01 | H9 | 120.0° | 30.1° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H9 | 120.0° | 119.9° |
| H1 | C13 | C12 | H14 | 1.2° | 0.0° |
| H3 | C17 | C18 | H15 | 0.3° | 0.3° |
| H5 | C24 | C25 | H18 | 0.6° | 0.1° |
| H6 | C28 | C27 | H19 | 0.0° | 0.2° |
| H7 | C01 | H8 | H9 | 120.0° | 120.1° |
| H10 | C07 | C08 | H12 | 66.4° | 43.0° |
| H10 | C07 | C08 | H13 | 174.5° | 162.7° |
| H11 | C07 | C08 | H12 | 52.9° | 76.6° |
| H11 | C07 | C08 | H13 | 66.2° | 43.1° |
