6ZI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C29 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | C24 | sing | 1.51Å | 1.50Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | doub | 1.38Å | 1.37Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.37Å | Aromatic |
| C24 | N25 | sing | 1.32Å | 1.33Å | Aromatic |
| C22 | C21 | doub | 1.40Å | 1.40Å | Aromatic |
| N25 | C26 | doub | 1.32Å | 1.31Å | Aromatic |
| C21 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C18 | sing | 1.48Å | 1.48Å | |
| C19 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C11 | sing | 1.51Å | 1.49Å | |
| C12 | O13 | sing | 1.43Å | 1.44Å | |
| C12 | C11 | sing | 1.53Å | 1.55Å | |
| O13 | C14 | sing | 1.43Å | 1.43Å | |
| C11 | C14 | sing | 1.53Å | 1.55Å | |
| C11 | C2 | sing | 1.51Å | 1.49Å | |
| N3 | C2 | sing | 1.35Å | 1.35Å | |
| N3 | C4 | sing | 1.40Å | 1.40Å | |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | O1 | doub | 1.21Å | 1.20Å | |
| C4 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | F8 | sing | 1.35Å | 1.34Å | |
| C7 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C23 | H8 | sing | 1.08Å | 1.08Å | |
| C27 | H9 | sing | 1.09Å | 1.10Å | |
| N3 | H10 | sing | 0.97Å | 1.00Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H16 | sing | 1.08Å | 1.08Å | |
| C26 | H17 | sing | 1.08Å | 1.08Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C27 | C28 | 59.9° | 60.0° |
| C29 | C27 | C24 | 124.8° | 117.5° |
| C27 | C29 | C28 | 60.2° | 60.0° |
| C29 | C27 | H9 | 115.2° | 117.5° |
| C27 | C29 | H20 | 120.0° | 117.5° |
| C27 | C29 | H21 | 119.9° | 117.5° |
| C28 | C27 | C24 | 113.1° | 117.5° |
| C27 | C28 | C29 | 59.9° | 60.0° |
| C28 | C27 | H9 | 115.2° | 117.5° |
| C27 | C28 | H18 | 120.0° | 117.5° |
| C27 | C28 | H19 | 120.0° | 117.5° |
| C27 | C24 | C23 | 118.2° | 119.5° |
| C27 | C24 | N25 | 121.0° | 119.5° |
| C24 | C27 | H9 | 115.7° | 115.5° |
| C29 | C28 | H18 | 120.0° | 117.5° |
| C29 | C28 | H19 | 120.0° | 117.5° |
| C28 | C29 | H20 | 120.0° | 117.5° |
| C28 | C29 | H21 | 120.0° | 117.5° |
| C24 | C23 | C22 | 119.5° | 119.3° |
| C23 | C24 | N25 | 120.8° | 121.0° |
| C24 | C23 | H8 | 120.2° | 120.3° |
| C23 | C22 | C21 | 119.0° | 118.3° |
| C22 | C23 | H8 | 120.2° | 120.4° |
| C23 | C22 | H16 | 120.5° | 120.9° |
| C24 | N25 | C26 | 122.1° | 121.9° |
| C22 | C21 | C26 | 118.2° | 118.9° |
| C22 | C21 | C18 | 120.8° | 120.5° |
| C21 | C22 | H16 | 120.5° | 120.8° |
| N25 | C26 | C21 | 120.4° | 120.6° |
| N25 | C26 | H17 | 119.8° | 119.7° |
| C26 | C21 | C18 | 121.0° | 120.5° |
| C21 | C26 | H17 | 119.8° | 119.7° |
| C21 | C18 | C19 | 119.6° | 120.1° |
| C21 | C18 | C17 | 121.7° | 120.2° |
| C18 | C19 | C20 | 121.1° | 119.9° |
| C19 | C18 | C17 | 118.7° | 119.7° |
| C18 | C19 | H7 | 119.4° | 120.1° |
| C19 | C20 | C15 | 119.8° | 120.1° |
| C20 | C19 | H7 | 119.4° | 120.0° |
| C19 | C20 | H15 | 120.1° | 119.9° |
| C18 | C17 | C16 | 119.4° | 119.9° |
| C18 | C17 | H6 | 120.3° | 120.0° |
| C20 | C15 | C16 | 119.4° | 120.3° |
| C20 | C15 | C11 | 122.5° | 119.9° |
| C15 | C20 | H15 | 120.1° | 120.0° |
| C17 | C16 | C15 | 121.6° | 120.1° |
| C17 | C16 | H5 | 119.2° | 119.9° |
| C16 | C17 | H6 | 120.3° | 120.0° |
| C16 | C15 | C11 | 118.1° | 119.9° |
| C15 | C16 | H5 | 119.2° | 120.0° |
| C15 | C11 | C12 | 117.8° | 114.6° |
| C15 | C11 | C14 | 115.3° | 114.6° |
| C15 | C11 | C2 | 109.0° | 113.6° |
| O13 | C12 | C11 | 88.2° | 88.5° |
| C12 | O13 | C14 | 94.2° | 88.3° |
| O13 | C12 | H3 | 114.5° | 113.4° |
| O13 | C12 | H4 | 114.5° | 113.4° |
| C12 | C11 | C14 | 85.2° | 81.2° |
| C12 | C11 | C2 | 115.5° | 114.5° |
| C11 | C12 | H3 | 114.5° | 113.4° |
| C11 | C12 | H4 | 114.5° | 113.4° |
| O13 | C14 | C11 | 88.1° | 88.4° |
| O13 | C14 | H13 | 114.5° | 113.4° |
| O13 | C14 | H14 | 114.5° | 113.4° |
| C14 | C11 | C2 | 112.4° | 114.5° |
| C11 | C14 | H13 | 114.5° | 113.4° |
| C11 | C14 | H14 | 114.5° | 113.4° |
| C11 | C2 | N3 | 118.2° | 120.0° |
| C11 | C2 | O1 | 118.5° | 119.9° |
| C2 | N3 | C4 | 126.5° | 120.0° |
| N3 | C2 | O1 | 123.3° | 120.0° |
| C2 | N3 | H10 | 116.7° | 120.0° |
| N3 | C4 | C5 | 115.6° | 120.0° |
| N3 | C4 | C10 | 125.0° | 120.1° |
| C4 | N3 | H10 | 116.7° | 120.0° |
| C4 | C5 | C6 | 120.2° | 119.9° |
| C5 | C4 | C10 | 119.3° | 119.9° |
| C4 | C5 | H1 | 119.9° | 120.0° |
| C5 | C6 | C7 | 120.1° | 120.1° |
| C6 | C5 | H1 | 119.9° | 120.0° |
| C5 | C6 | H2 | 119.9° | 119.9° |
| C4 | C10 | C9 | 119.8° | 120.0° |
| C4 | C10 | H12 | 120.1° | 120.0° |
| C6 | C7 | F8 | 120.1° | 120.0° |
| C6 | C7 | C9 | 120.0° | 120.1° |
| C7 | C6 | H2 | 120.0° | 120.0° |
| F8 | C7 | C9 | 119.9° | 119.9° |
| C7 | C9 | C10 | 120.6° | 120.0° |
| C7 | C9 | H11 | 119.7° | 120.0° |
| C10 | C9 | H11 | 119.7° | 120.0° |
| C9 | C10 | H12 | 120.1° | 120.0° |
| H3 | C12 | H4 | 109.5° | 112.7° |
| H13 | C14 | H14 | 109.5° | 112.8° |
| H18 | C28 | H19 | 109.5° | 115.5° |
| H20 | C29 | H21 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C27 | C28 | C24 | 118.1° | 107.5° |
| C29 | C27 | C28 | H9 | 105.8° | 107.5° |
| C29 | C27 | C24 | H9 | 155.7° | 145.7° |
| C27 | C29 | C28 | H20 | 109.5° | 107.5° |
| C27 | C29 | C28 | H21 | 109.5° | 107.5° |
| C29 | C27 | C24 | C23 | 104.7° | 85.0° |
| C29 | C27 | C24 | N25 | 78.2° | 95.3° |
| C29 | C27 | C28 | H18 | 109.5° | 107.5° |
| C29 | C27 | C28 | H19 | 109.5° | 107.5° |
| C27 | C29 | H20 | H21 | 144.6° | 145.7° |
| C28 | C27 | C24 | H9 | 135.9° | 145.7° |
| C28 | C27 | C24 | C23 | 173.1° | 16.4° |
| C28 | C27 | C24 | N25 | 9.8° | 163.9° |
| C27 | C28 | H18 | H19 | 144.8° | 145.7° |
| C27 | C24 | C23 | N25 | 177.2° | 179.7° |
| C27 | C24 | C23 | C22 | 178.1° | 180.0° |
| C27 | C24 | N25 | C26 | 177.9° | 179.7° |
| C27 | C24 | C23 | H8 | 1.9° | 0.3° |
| C24 | C27 | C28 | H18 | 132.5° | 145.0° |
| C24 | C27 | C28 | H19 | 8.6° | 0.0° |
| C24 | C27 | C29 | H20 | 11.0° | 0.0° |
| C24 | C27 | C29 | H21 | 151.9° | 145.0° |
| C29 | C28 | H18 | H19 | 144.8° | 145.7° |
| C28 | C29 | H20 | H21 | 144.6° | 145.7° |
| C24 | C23 | C22 | H8 | 180.0° | 179.8° |
| C24 | C23 | C22 | C21 | 0.2° | 0.0° |
| C23 | C24 | N25 | C26 | 0.8° | 0.6° |
| C23 | C24 | C27 | H9 | 51.0° | 129.3° |
| C24 | C23 | C22 | H16 | 179.8° | 180.0° |
| C22 | C23 | C24 | N25 | 0.9° | 0.3° |
| C23 | C22 | C21 | H16 | 180.0° | 180.0° |
| C23 | C22 | C21 | C26 | 1.4° | 0.0° |
| C23 | C22 | C21 | C18 | 178.2° | 179.7° |
| C24 | N25 | C26 | C21 | 0.4° | 0.6° |
| N25 | C24 | C23 | H8 | 179.1° | 179.9° |
| N25 | C24 | C27 | H9 | 126.1° | 50.4° |
| C24 | N25 | C26 | H17 | 179.6° | 179.4° |
| C22 | C21 | C26 | N25 | 1.5° | 0.3° |
| C22 | C21 | C26 | C18 | 176.8° | 179.7° |
| C22 | C21 | C18 | C19 | 30.6° | 0.3° |
| C22 | C21 | C18 | C17 | 153.0° | 179.7° |
| C21 | C22 | C23 | H8 | 179.8° | 179.8° |
| C22 | C21 | C26 | H17 | 178.5° | 179.7° |
| N25 | C26 | C21 | H17 | 180.0° | 180.0° |
| N25 | C26 | C21 | C18 | 178.3° | 180.0° |
| C26 | C21 | C18 | C19 | 146.1° | 179.9° |
| C26 | C21 | C18 | C17 | 30.3° | 0.0° |
| C26 | C21 | C22 | H16 | 178.6° | 180.0° |
| C21 | C18 | C19 | C17 | 176.5° | 180.0° |
| C21 | C18 | C19 | C20 | 179.0° | 179.8° |
| C21 | C18 | C17 | C16 | 178.8° | 180.0° |
| C21 | C18 | C17 | H6 | 1.2° | 0.0° |
| C21 | C18 | C19 | H7 | 1.0° | 0.0° |
| C18 | C21 | C22 | H16 | 1.8° | 0.3° |
| C18 | C21 | C26 | H17 | 1.7° | 0.0° |
| C18 | C19 | C20 | H7 | 180.0° | 179.7° |
| C18 | C19 | C20 | C15 | 2.1° | 0.5° |
| C19 | C18 | C17 | C16 | 2.3° | 0.0° |
| C19 | C18 | C17 | H6 | 177.7° | 180.0° |
| C18 | C19 | C20 | H15 | 177.9° | 179.9° |
| C20 | C19 | C18 | C17 | 2.5° | 0.3° |
| C19 | C20 | C15 | H15 | 180.0° | 179.6° |
| C19 | C20 | C15 | C16 | 1.5° | 0.5° |
| C19 | C20 | C15 | C11 | 178.8° | 179.8° |
| C18 | C17 | C16 | H6 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 1.9° | 0.1° |
| C18 | C17 | C16 | H5 | 178.1° | 179.9° |
| C17 | C18 | C19 | H7 | 177.5° | 180.0° |
| C20 | C15 | C16 | C17 | 1.4° | 0.3° |
| C20 | C15 | C16 | C11 | 179.7° | 179.7° |
| C20 | C15 | C11 | C12 | 30.6° | 91.2° |
| C20 | C15 | C11 | C14 | 129.0° | 0.3° |
| C20 | C15 | C11 | C2 | 103.5° | 134.5° |
| C20 | C15 | C16 | H5 | 178.6° | 179.7° |
| C15 | C20 | C19 | H7 | 177.9° | 179.7° |
| C17 | C16 | C15 | H5 | 180.0° | 180.0° |
| C17 | C16 | C15 | C11 | 178.9° | 180.0° |
| C16 | C15 | C11 | C12 | 149.7° | 88.5° |
| C16 | C15 | C11 | C14 | 51.3° | 180.0° |
| C16 | C15 | C11 | C2 | 76.2° | 45.8° |
| C15 | C16 | C17 | H6 | 178.1° | 180.0° |
| C16 | C15 | C20 | H15 | 178.5° | 179.9° |
| C15 | C11 | C12 | O13 | 101.3° | 139.6° |
| C15 | C11 | C12 | C14 | 116.1° | 113.1° |
| C15 | C11 | C12 | C2 | 131.3° | 133.9° |
| C15 | C11 | C14 | O13 | 103.7° | 139.6° |
| C15 | C11 | C14 | C2 | 125.8° | 133.8° |
| C15 | C11 | C2 | N3 | 83.2° | 175.7° |
| C15 | C11 | C2 | O1 | 96.6° | 4.6° |
| C15 | C11 | C12 | H3 | 142.5° | 24.7° |
| C15 | C11 | C12 | H4 | 14.9° | 105.5° |
| C11 | C15 | C16 | H5 | 1.1° | 0.0° |
| C15 | C11 | C14 | H13 | 12.5° | 105.5° |
| C15 | C11 | C14 | H14 | 140.2° | 24.8° |
| C11 | C15 | C20 | H15 | 1.2° | 0.2° |
| O13 | C12 | C11 | H3 | 116.2° | 114.9° |
| O13 | C12 | C11 | H4 | 116.2° | 114.9° |
| O13 | C12 | C11 | C14 | 14.9° | 26.5° |
| O13 | C12 | C11 | C2 | 127.4° | 86.6° |
| O13 | C12 | H3 | H4 | 130.1° | 130.6° |
| C12 | O13 | C14 | H13 | 132.3° | 143.0° |
| C12 | O13 | C14 | H14 | 100.1° | 86.7° |
| C12 | C11 | C14 | C2 | 115.7° | 113.1° |
| C12 | C11 | C2 | N3 | 52.1° | 41.4° |
| C12 | C11 | C2 | O1 | 128.1° | 138.9° |
| C11 | C12 | H3 | H4 | 130.2° | 130.5° |
| C12 | C11 | C14 | H13 | 131.1° | 141.3° |
| C12 | C11 | C14 | H14 | 101.3° | 88.4° |
| O13 | C14 | C11 | H13 | 116.2° | 114.9° |
| O13 | C14 | C11 | H14 | 116.2° | 114.9° |
| O13 | C14 | C11 | C2 | 130.6° | 86.6° |
| C14 | O13 | C12 | H3 | 100.0° | 86.7° |
| C14 | O13 | C12 | H4 | 132.4° | 143.0° |
| O13 | C14 | H13 | H14 | 130.1° | 130.6° |
| C14 | C11 | C2 | N3 | 147.7° | 50.0° |
| C14 | C11 | C2 | O1 | 32.5° | 129.7° |
| C14 | C11 | C12 | H3 | 101.3° | 88.4° |
| C14 | C11 | C12 | H4 | 131.0° | 141.4° |
| C11 | C14 | H13 | H14 | 130.2° | 130.6° |
| C11 | C2 | N3 | O1 | 179.8° | 179.7° |
| C11 | C2 | N3 | C4 | 177.5° | 175.6° |
| C2 | C11 | C12 | H3 | 11.3° | 158.5° |
| C2 | C11 | C12 | H4 | 116.4° | 28.4° |
| C11 | C2 | N3 | H10 | 2.5° | 4.3° |
| C2 | C11 | C14 | H13 | 113.2° | 28.3° |
| C2 | C11 | C14 | H14 | 14.4° | 158.5° |
| C2 | N3 | C4 | H10 | 180.0° | 179.9° |
| C2 | N3 | C4 | C5 | 163.0° | 145.2° |
| C2 | N3 | C4 | C10 | 15.1° | 35.1° |
| N3 | C4 | C5 | C10 | 178.2° | 179.7° |
| N3 | C4 | C5 | C6 | 179.6° | 179.7° |
| C4 | N3 | C2 | O1 | 2.6° | 4.7° |
| N3 | C4 | C10 | C9 | 179.2° | 179.7° |
| N3 | C4 | C5 | H1 | 0.4° | 0.3° |
| N3 | C4 | C10 | H12 | 0.8° | 0.3° |
| C4 | C5 | C6 | H1 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.9° | 0.1° |
| C5 | C4 | C10 | C9 | 1.2° | 0.0° |
| C4 | C5 | C6 | H2 | 179.1° | 180.0° |
| C5 | C4 | N3 | H10 | 17.0° | 34.8° |
| C5 | C4 | C10 | H12 | 178.8° | 180.0° |
| C6 | C5 | C4 | C10 | 1.4° | 0.0° |
| C5 | C6 | C7 | H2 | 180.0° | 179.9° |
| C5 | C6 | C7 | F8 | 179.7° | 179.9° |
| C5 | C6 | C7 | C9 | 0.1° | 0.1° |
| O1 | C2 | N3 | H10 | 177.4° | 175.4° |
| C4 | C10 | C9 | C7 | 0.4° | 0.0° |
| C4 | C10 | C9 | H12 | 180.0° | 180.0° |
| C10 | C4 | C5 | H1 | 178.6° | 180.0° |
| C10 | C4 | N3 | H10 | 164.9° | 144.9° |
| C4 | C10 | C9 | H11 | 179.6° | 180.0° |
| C6 | C7 | F8 | C9 | 179.8° | 180.0° |
| C6 | C7 | C9 | C10 | 0.1° | 0.0° |
| C7 | C6 | C5 | H1 | 179.1° | 180.0° |
| C6 | C7 | C9 | H11 | 179.9° | 180.0° |
| F8 | C7 | C9 | C10 | 179.9° | 180.0° |
| F8 | C7 | C6 | H2 | 0.3° | 0.0° |
| F8 | C7 | C9 | H11 | 0.1° | 0.0° |
| C7 | C9 | C10 | H11 | 180.0° | 180.0° |
| C9 | C7 | C6 | H2 | 179.9° | 180.0° |
| C7 | C9 | C10 | H12 | 179.6° | 180.0° |
| H1 | C5 | C6 | H2 | 0.9° | 0.0° |
| H5 | C16 | C17 | H6 | 1.9° | 0.0° |
| H7 | C19 | C20 | H15 | 2.1° | 0.2° |
| H8 | C23 | C22 | H16 | 0.2° | 0.2° |
| H9 | C27 | C28 | H18 | 3.7° | 0.0° |
| H9 | C27 | C28 | H19 | 144.7° | 145.0° |
| H9 | C27 | C29 | H20 | 144.8° | 144.9° |
| H9 | C27 | C29 | H21 | 3.9° | 0.0° |
| H11 | C9 | C10 | H12 | 0.4° | 0.0° |
| H18 | C28 | C29 | H20 | 141.0° | 145.0° |
| H18 | C28 | C29 | H21 | 0.1° | 0.0° |
| H19 | C28 | C29 | H20 | 0.1° | 0.0° |
| H19 | C28 | C29 | H21 | 141.0° | 145.0° |
