6EZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O21 | C19 | sing | 1.44Å | 1.45Å | |
| O21 | C16 | sing | 1.44Å | 1.45Å | |
| N23 | C22 | sing | 1.40Å | 1.37Å | |
| C19 | C20 | sing | 1.54Å | 1.55Å | |
| C19 | C18 | sing | 1.55Å | 1.54Å | |
| C20 | C14 | sing | 1.53Å | 1.55Å | |
| O13 | C12 | doub | 1.21Å | 1.22Å | |
| C16 | C15 | sing | 1.54Å | 1.55Å | |
| C16 | C17 | sing | 1.55Å | 1.55Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C12 | C14 | sing | 1.51Å | 1.52Å | |
| C12 | N11 | sing | 1.35Å | 1.36Å | |
| C22 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.55Å | 1.55Å | |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| N11 | C10 | sing | 1.40Å | 1.41Å | |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| C8 | C5 | sing | 1.48Å | 1.49Å | |
| C5 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | F1 | sing | 1.35Å | 1.34Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.08Å | 1.08Å | |
| N11 | H17 | sing | 0.97Å | 1.00Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| N23 | H19 | sing | 0.97Å | 1.00Å | |
| N23 | H20 | sing | 0.97Å | 1.00Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | O21 | C16 | 104.8° | 104.8° |
| O21 | C19 | C20 | 110.0° | 107.6° |
| O21 | C19 | C18 | 102.5° | 104.6° |
| O21 | C19 | H13 | 112.5° | 112.5° |
| O21 | C16 | C15 | 104.4° | 107.6° |
| O21 | C16 | C17 | 104.2° | 104.6° |
| O21 | C16 | H8 | 112.4° | 112.4° |
| N23 | C22 | C24 | 117.6° | 119.9° |
| N23 | C22 | C10 | 121.2° | 120.0° |
| C22 | N23 | H19 | 109.5° | 120.1° |
| C22 | N23 | H20 | 109.5° | 119.9° |
| C20 | C19 | C18 | 109.5° | 108.0° |
| C19 | C20 | C14 | 113.2° | 108.8° |
| C20 | C19 | H13 | 110.9° | 111.9° |
| C19 | C20 | H14 | 108.5° | 109.6° |
| C19 | C20 | H15 | 108.5° | 109.6° |
| C19 | C18 | C17 | 104.5° | 103.9° |
| C19 | C18 | H11 | 110.7° | 110.6° |
| C19 | C18 | H12 | 110.7° | 110.7° |
| C18 | C19 | H13 | 111.1° | 111.9° |
| C20 | C14 | C15 | 110.5° | 109.3° |
| C20 | C14 | C12 | 114.9° | 109.5° |
| C14 | C20 | H14 | 108.5° | 109.6° |
| C14 | C20 | H15 | 108.5° | 109.6° |
| C20 | C14 | H18 | 106.8° | 109.5° |
| O13 | C12 | C14 | 123.5° | 120.0° |
| O13 | C12 | N11 | 120.0° | 120.0° |
| C15 | C16 | C17 | 113.8° | 108.0° |
| C16 | C15 | C14 | 111.5° | 108.8° |
| C16 | C15 | H6 | 109.0° | 109.6° |
| C16 | C15 | H7 | 109.0° | 109.7° |
| C15 | C16 | H8 | 110.9° | 111.8° |
| C16 | C17 | C18 | 103.5° | 103.9° |
| C17 | C16 | H8 | 110.9° | 112.0° |
| C16 | C17 | H9 | 110.9° | 110.6° |
| C16 | C17 | H10 | 111.0° | 110.5° |
| C15 | C14 | C12 | 110.2° | 109.5° |
| C14 | C15 | H6 | 108.9° | 109.6° |
| C14 | C15 | H7 | 108.9° | 109.5° |
| C15 | C14 | H18 | 106.9° | 109.5° |
| C14 | C12 | N11 | 116.4° | 120.0° |
| C12 | C14 | H18 | 107.1° | 109.5° |
| C12 | N11 | C10 | 127.8° | 120.1° |
| C12 | N11 | H17 | 116.1° | 120.0° |
| C24 | C22 | C10 | 121.1° | 120.1° |
| C22 | C24 | C25 | 119.8° | 120.1° |
| C22 | C24 | H16 | 120.1° | 120.0° |
| C22 | C10 | N11 | 125.6° | 120.0° |
| C22 | C10 | C9 | 118.2° | 119.9° |
| C18 | C17 | H9 | 111.0° | 110.5° |
| C18 | C17 | H10 | 111.0° | 110.7° |
| C17 | C18 | H11 | 110.7° | 110.5° |
| C17 | C18 | H12 | 110.7° | 110.5° |
| C24 | C25 | C8 | 120.6° | 120.0° |
| C25 | C24 | H16 | 120.1° | 119.9° |
| C24 | C25 | H21 | 119.7° | 119.9° |
| N11 | C10 | C9 | 116.1° | 120.0° |
| C10 | N11 | H17 | 116.1° | 120.0° |
| C10 | C9 | C8 | 121.3° | 119.9° |
| C10 | C9 | H5 | 119.3° | 120.0° |
| C25 | C8 | C9 | 118.9° | 120.0° |
| C25 | C8 | C5 | 119.9° | 120.0° |
| C8 | C25 | H21 | 119.7° | 120.0° |
| C9 | C8 | C5 | 121.2° | 120.1° |
| C8 | C9 | H5 | 119.3° | 120.1° |
| C8 | C5 | C6 | 120.7° | 120.2° |
| C8 | C5 | C4 | 120.7° | 120.0° |
| C6 | C5 | C4 | 118.6° | 119.8° |
| C5 | C6 | C7 | 121.0° | 119.9° |
| C5 | C6 | H3 | 119.5° | 120.0° |
| C5 | C4 | C3 | 119.9° | 119.9° |
| C5 | C4 | H2 | 120.0° | 120.1° |
| C6 | C7 | C2 | 119.7° | 120.1° |
| C7 | C6 | H3 | 119.5° | 120.1° |
| C6 | C7 | H4 | 120.2° | 119.9° |
| C4 | C3 | C2 | 120.4° | 120.1° |
| C4 | C3 | H1 | 119.8° | 120.0° |
| C3 | C4 | H2 | 120.1° | 120.0° |
| C7 | C2 | C3 | 120.5° | 120.1° |
| C7 | C2 | F1 | 118.7° | 119.9° |
| C2 | C7 | H4 | 120.2° | 119.9° |
| C3 | C2 | F1 | 120.7° | 120.0° |
| C2 | C3 | H1 | 119.8° | 119.9° |
| H6 | C15 | H7 | 109.4° | 109.6° |
| H9 | C17 | H10 | 109.4° | 110.5° |
| H11 | C18 | H12 | 109.5° | 110.5° |
| H14 | C20 | H15 | 109.5° | 109.7° |
| H19 | N23 | H20 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | C19 | C20 | C18 | 112.0° | 112.4° |
| O21 | C19 | C20 | H13 | 125.1° | 124.0° |
| O21 | C19 | C18 | H13 | 120.4° | 122.0° |
| O21 | C19 | C20 | C14 | 50.9° | 63.3° |
| C19 | O21 | C16 | C15 | 77.1° | 72.9° |
| C19 | O21 | C16 | C17 | 42.5° | 41.8° |
| O21 | C19 | C18 | C17 | 30.1° | 24.7° |
| C19 | O21 | C16 | H8 | 162.6° | 163.5° |
| O21 | C19 | C18 | H11 | 89.1° | 143.3° |
| O21 | C19 | C18 | H12 | 149.3° | 93.9° |
| O21 | C19 | C20 | H14 | 171.4° | 177.0° |
| O21 | C19 | C20 | H15 | 69.7° | 56.5° |
| C16 | O21 | C19 | C20 | 71.0° | 72.9° |
| C16 | O21 | C19 | C18 | 45.5° | 41.7° |
| O21 | C16 | C15 | C17 | 112.9° | 112.4° |
| O21 | C16 | C15 | H8 | 121.3° | 123.9° |
| O21 | C16 | C17 | H8 | 121.1° | 122.0° |
| O21 | C16 | C15 | C14 | 65.5° | 63.3° |
| O21 | C16 | C17 | C18 | 21.7° | 24.7° |
| O21 | C16 | C15 | H6 | 54.8° | 56.5° |
| O21 | C16 | C15 | H7 | 174.2° | 176.9° |
| O21 | C16 | C17 | H9 | 140.7° | 143.4° |
| O21 | C16 | C17 | H10 | 97.4° | 94.0° |
| C16 | O21 | C19 | H13 | 164.8° | 163.5° |
| N23 | C22 | C24 | C10 | 178.7° | 179.9° |
| N23 | C22 | C24 | C25 | 179.7° | 179.9° |
| N23 | C22 | C10 | N11 | 2.3° | 0.0° |
| N23 | C22 | C10 | C9 | 179.5° | 180.0° |
| N23 | C22 | C24 | H16 | 0.2° | 0.0° |
| C22 | N23 | H19 | H20 | 120.0° | 180.0° |
| C20 | C19 | C18 | H13 | 122.8° | 123.6° |
| C19 | C20 | C14 | H14 | 120.6° | 119.8° |
| C19 | C20 | C14 | H15 | 120.5° | 119.8° |
| C19 | C20 | C14 | C15 | 37.6° | 52.8° |
| C19 | C20 | C14 | C12 | 163.0° | 172.8° |
| C20 | C19 | C18 | C17 | 86.7° | 89.7° |
| C20 | C19 | C18 | H11 | 154.1° | 28.9° |
| C20 | C19 | C18 | H12 | 32.5° | 151.7° |
| C19 | C20 | H14 | H15 | 118.2° | 120.4° |
| C19 | C20 | C14 | H18 | 78.3° | 67.2° |
| C18 | C19 | C20 | C14 | 61.1° | 49.1° |
| C19 | C18 | C17 | C16 | 5.1° | 0.0° |
| C19 | C18 | C17 | H11 | 119.2° | 118.7° |
| C19 | C18 | C17 | H12 | 119.2° | 118.7° |
| C19 | C18 | C17 | H9 | 113.9° | 118.7° |
| C19 | C18 | C17 | H10 | 124.2° | 118.6° |
| C19 | C18 | H11 | H12 | 122.3° | 122.9° |
| C18 | C19 | C20 | H14 | 59.5° | 70.6° |
| C18 | C19 | C20 | H15 | 178.3° | 168.9° |
| C20 | C14 | C12 | O13 | 9.6° | 119.9° |
| C20 | C14 | C15 | C16 | 45.3° | 52.8° |
| C20 | C14 | C15 | C12 | 128.1° | 119.9° |
| C20 | C14 | C15 | H18 | 115.9° | 120.0° |
| C20 | C14 | C12 | H18 | 118.5° | 120.1° |
| C20 | C14 | C12 | N11 | 168.0° | 60.2° |
| C20 | C14 | C15 | H6 | 75.0° | 67.0° |
| C20 | C14 | C15 | H7 | 165.6° | 172.7° |
| C14 | C20 | C19 | H13 | 176.0° | 172.8° |
| C14 | C20 | H14 | H15 | 118.3° | 120.4° |
| O13 | C12 | C14 | C15 | 116.0° | 0.1° |
| O13 | C12 | C14 | N11 | 177.6° | 179.9° |
| O13 | C12 | N11 | C10 | 0.6° | 4.4° |
| O13 | C12 | N11 | H17 | 179.4° | 175.6° |
| O13 | C12 | C14 | H18 | 128.1° | 120.0° |
| C15 | C16 | C17 | H8 | 125.8° | 123.6° |
| C16 | C15 | C14 | H6 | 120.3° | 119.8° |
| C16 | C15 | C14 | H7 | 120.3° | 119.9° |
| C16 | C15 | C14 | C12 | 173.4° | 172.8° |
| C15 | C16 | C17 | C18 | 91.4° | 89.6° |
| C16 | C15 | H6 | H7 | 119.1° | 120.5° |
| C15 | C16 | C17 | H9 | 27.7° | 29.0° |
| C15 | C16 | C17 | H10 | 149.5° | 151.6° |
| C16 | C15 | C14 | H18 | 70.5° | 67.2° |
| C17 | C16 | C15 | C14 | 47.4° | 49.1° |
| C16 | C17 | C18 | H9 | 119.0° | 118.7° |
| C16 | C17 | C18 | H10 | 119.1° | 118.6° |
| C17 | C16 | C15 | H6 | 167.8° | 168.9° |
| C17 | C16 | C15 | H7 | 72.9° | 70.7° |
| C16 | C17 | H9 | H10 | 122.8° | 122.6° |
| C16 | C17 | C18 | H11 | 114.1° | 118.7° |
| C16 | C17 | C18 | H12 | 124.3° | 118.7° |
| C15 | C14 | C12 | H18 | 115.9° | 120.1° |
| C15 | C14 | C12 | N11 | 66.4° | 180.0° |
| C14 | C15 | H6 | H7 | 119.0° | 120.2° |
| C14 | C15 | C16 | H8 | 173.2° | 172.8° |
| C15 | C14 | C20 | H14 | 158.1° | 172.6° |
| C15 | C14 | C20 | H15 | 83.0° | 67.0° |
| C14 | C12 | N11 | C10 | 178.3° | 175.5° |
| C12 | C14 | C15 | H6 | 53.1° | 52.9° |
| C12 | C14 | C15 | H7 | 66.3° | 67.3° |
| C12 | C14 | C20 | H14 | 76.4° | 67.5° |
| C12 | C14 | C20 | H15 | 42.5° | 53.0° |
| C14 | C12 | N11 | H17 | 1.7° | 4.5° |
| C12 | N11 | C10 | C22 | 52.6° | 145.3° |
| C12 | N11 | C10 | H17 | 180.0° | 180.0° |
| C12 | N11 | C10 | C9 | 129.1° | 34.7° |
| N11 | C12 | C14 | H18 | 49.5° | 59.9° |
| C22 | C24 | C25 | H16 | 180.0° | 180.0° |
| C24 | C22 | C10 | N11 | 179.1° | 179.9° |
| C24 | C22 | C10 | C9 | 0.8° | 0.0° |
| C22 | C24 | C25 | C8 | 0.9° | 0.0° |
| C24 | C22 | N23 | H19 | 180.0° | 0.0° |
| C24 | C22 | N23 | H20 | 60.0° | 180.0° |
| C22 | C24 | C25 | H21 | 179.1° | 180.0° |
| C10 | C22 | C24 | C25 | 1.1° | 0.0° |
| C22 | C10 | N11 | C9 | 178.3° | 180.0° |
| C22 | C10 | C9 | C8 | 0.4° | 0.1° |
| C22 | C10 | C9 | H5 | 179.5° | 179.7° |
| C10 | C22 | C24 | H16 | 178.9° | 180.0° |
| C22 | C10 | N11 | H17 | 127.4° | 34.7° |
| C10 | C22 | N23 | H19 | 1.3° | 180.0° |
| C10 | C22 | N23 | H20 | 121.3° | 0.1° |
| C18 | C17 | C16 | H8 | 142.8° | 146.8° |
| C18 | C17 | H9 | H10 | 122.8° | 122.9° |
| C17 | C18 | H11 | H12 | 122.3° | 122.6° |
| C17 | C18 | C19 | H13 | 150.5° | 146.8° |
| C24 | C25 | C8 | H21 | 180.0° | 180.0° |
| C24 | C25 | C8 | C9 | 0.5° | 0.0° |
| C24 | C25 | C8 | C5 | 179.4° | 179.7° |
| N11 | C10 | C9 | C8 | 178.8° | 179.9° |
| N11 | C10 | C9 | H5 | 1.1° | 0.3° |
| C10 | C9 | C8 | C25 | 0.3° | 0.0° |
| C10 | C9 | C8 | H5 | 180.0° | 179.8° |
| C10 | C9 | C8 | C5 | 179.6° | 179.8° |
| C9 | C10 | N11 | H17 | 50.9° | 145.3° |
| C25 | C8 | C9 | C5 | 180.0° | 179.7° |
| C25 | C8 | C5 | C6 | 39.6° | 0.2° |
| C25 | C8 | C5 | C4 | 140.8° | 180.0° |
| C25 | C8 | C9 | H5 | 179.7° | 179.7° |
| C8 | C25 | C24 | H16 | 179.1° | 180.0° |
| C9 | C8 | C5 | C6 | 140.4° | 180.0° |
| C9 | C8 | C5 | C4 | 39.3° | 0.3° |
| C9 | C8 | C25 | H21 | 179.5° | 180.0° |
| C8 | C5 | C6 | C4 | 179.7° | 179.8° |
| C8 | C5 | C6 | C7 | 180.0° | 180.0° |
| C8 | C5 | C4 | C3 | 179.7° | 179.8° |
| C8 | C5 | C4 | H2 | 0.3° | 0.3° |
| C8 | C5 | C6 | H3 | 0.0° | 0.2° |
| C5 | C8 | C9 | H5 | 0.4° | 0.0° |
| C5 | C8 | C25 | H21 | 0.6° | 0.3° |
| C5 | C6 | C7 | H3 | 180.0° | 179.8° |
| C6 | C5 | C4 | C3 | 0.0° | 0.0° |
| C5 | C6 | C7 | C2 | 0.5° | 0.5° |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C5 | C6 | C7 | H4 | 179.5° | 180.0° |
| C4 | C5 | C6 | C7 | 0.4° | 0.2° |
| C5 | C4 | C3 | H2 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.0° |
| C5 | C4 | C3 | H1 | 179.8° | 180.0° |
| C4 | C5 | C6 | H3 | 179.6° | 180.0° |
| C6 | C7 | C2 | H4 | 180.0° | 179.5° |
| C6 | C7 | C2 | C3 | 0.3° | 0.5° |
| C6 | C7 | C2 | F1 | 179.8° | 179.7° |
| C4 | C3 | C2 | C7 | 0.1° | 0.3° |
| C4 | C3 | C2 | H1 | 180.0° | 180.0° |
| C4 | C3 | C2 | F1 | 179.5° | 179.9° |
| C7 | C2 | C3 | F1 | 179.5° | 179.8° |
| C7 | C2 | C3 | H1 | 179.9° | 179.8° |
| C2 | C7 | C6 | H3 | 179.5° | 179.7° |
| C2 | C3 | C4 | H2 | 179.8° | 180.0° |
| C3 | C2 | C7 | H4 | 179.7° | 180.0° |
| F1 | C2 | C3 | H1 | 0.5° | 0.0° |
| F1 | C2 | C7 | H4 | 0.2° | 0.2° |
| H1 | C3 | C4 | H2 | 0.2° | 0.0° |
| H3 | C6 | C7 | H4 | 0.5° | 0.2° |
| H6 | C15 | C16 | H8 | 66.4° | 67.4° |
| H6 | C15 | C14 | H18 | 169.1° | 173.0° |
| H7 | C15 | C16 | H8 | 52.9° | 53.0° |
| H7 | C15 | C14 | H18 | 49.8° | 52.7° |
| H8 | C16 | C17 | H9 | 98.1° | 94.6° |
| H8 | C16 | C17 | H10 | 23.7° | 28.0° |
| H9 | C17 | C18 | H11 | 126.9° | 0.0° |
| H9 | C17 | C18 | H12 | 5.3° | 122.6° |
| H10 | C17 | C18 | H11 | 5.0° | 122.7° |
| H10 | C17 | C18 | H12 | 116.6° | 0.1° |
| H11 | C18 | C19 | H13 | 31.3° | 94.6° |
| H12 | C18 | C19 | H13 | 90.3° | 28.1° |
| H13 | C19 | C20 | H14 | 63.5° | 53.0° |
| H13 | C19 | C20 | H15 | 55.4° | 67.4° |
| H14 | C20 | C14 | H18 | 42.3° | 52.6° |
| H15 | C20 | C14 | H18 | 161.2° | 173.1° |
| H16 | C24 | C25 | H21 | 0.9° | 0.0° |
