A1EVN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C17 | sing | 1.38Å | 1.36Å | Aromatic |
| C18 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| C17 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C14 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.52Å | |
| C11 | N04 | sing | 1.47Å | 1.27Å | |
| C09 | N04 | sing | 1.47Å | 1.30Å | |
| C09 | C07 | sing | 1.53Å | 1.52Å | |
| N04 | C10 | sing | 1.47Å | 1.29Å | |
| C10 | C08 | sing | 1.53Å | 1.51Å | |
| C07 | C06 | sing | 1.53Å | 1.50Å | |
| C08 | C06 | sing | 1.53Å | 1.49Å | |
| C06 | N05 | sing | 1.47Å | 1.42Å | |
| N05 | C13 | sing | 1.35Å | 1.43Å | |
| C13 | O03 | doub | 1.22Å | 1.18Å | |
| C13 | C16 | sing | 1.48Å | 1.50Å | |
| CL01 | C19 | sing | 1.74Å | 1.78Å | |
| C16 | C20 | doub | 1.40Å | 1.36Å | Aromatic |
| C16 | C19 | sing | 1.40Å | 1.32Å | Aromatic |
| C20 | C23 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | C22 | doub | 1.38Å | 1.37Å | Aromatic |
| C23 | C24 | doub | 1.39Å | 1.36Å | Aromatic |
| C22 | C24 | sing | 1.38Å | 1.37Å | Aromatic |
| C24 | CL02 | sing | 1.74Å | 1.77Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| N05 | H9 | sing | 0.97Å | 1.00Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C21 | C17 | 120.5° | 120.0° |
| C21 | C18 | C15 | 120.6° | 120.0° |
| C18 | C21 | H6 | 119.8° | 120.0° |
| C21 | C18 | H20 | 119.7° | 120.0° |
| C21 | C17 | C14 | 118.7° | 120.0° |
| C21 | C17 | H4 | 120.6° | 120.0° |
| C17 | C21 | H6 | 119.8° | 120.0° |
| C18 | C15 | C12 | 118.8° | 120.0° |
| C18 | C15 | H3 | 120.6° | 120.0° |
| C15 | C18 | H20 | 119.7° | 120.0° |
| C17 | C14 | C12 | 121.3° | 119.9° |
| C14 | C17 | H4 | 120.6° | 120.0° |
| C17 | C14 | H19 | 119.3° | 120.0° |
| C15 | C12 | C14 | 120.0° | 120.0° |
| C15 | C12 | C11 | 121.2° | 120.0° |
| C12 | C15 | H3 | 120.6° | 120.0° |
| C14 | C12 | C11 | 118.6° | 120.0° |
| C12 | C14 | H19 | 119.4° | 120.1° |
| C12 | C11 | N04 | 120.1° | 109.5° |
| C12 | C11 | H17 | 106.8° | 109.5° |
| C12 | C11 | H18 | 106.7° | 109.4° |
| C11 | N04 | C09 | 105.0° | 111.0° |
| C11 | N04 | C10 | 100.6° | 111.0° |
| N04 | C11 | H17 | 106.7° | 109.5° |
| N04 | C11 | H18 | 106.8° | 109.5° |
| N04 | C09 | C07 | 110.4° | 109.5° |
| C09 | N04 | C10 | 107.8° | 111.2° |
| N04 | C09 | H15 | 109.2° | 109.5° |
| N04 | C09 | H16 | 109.2° | 109.5° |
| C09 | C07 | C06 | 105.0° | 109.3° |
| C09 | C07 | H11 | 110.6° | 109.5° |
| C09 | C07 | H12 | 110.6° | 109.6° |
| C07 | C09 | H15 | 109.2° | 109.5° |
| C07 | C09 | H16 | 109.2° | 109.5° |
| N04 | C10 | C08 | 108.5° | 109.5° |
| N04 | C10 | H1 | 109.7° | 109.5° |
| N04 | C10 | H2 | 109.7° | 109.4° |
| C10 | C08 | C06 | 101.4° | 109.3° |
| C08 | C10 | H1 | 109.7° | 109.4° |
| C08 | C10 | H2 | 109.7° | 109.5° |
| C10 | C08 | H13 | 111.4° | 109.5° |
| C10 | C08 | H14 | 111.4° | 109.5° |
| C07 | C06 | C08 | 103.7° | 109.2° |
| C07 | C06 | N05 | 108.2° | 109.5° |
| C07 | C06 | H10 | 112.5° | 109.5° |
| C06 | C07 | H11 | 110.6° | 109.5° |
| C06 | C07 | H12 | 110.6° | 109.5° |
| C08 | C06 | N05 | 105.2° | 109.5° |
| C08 | C06 | H10 | 112.6° | 109.6° |
| C06 | C08 | H13 | 111.4° | 109.5° |
| C06 | C08 | H14 | 111.4° | 109.5° |
| C06 | N05 | C13 | 119.3° | 120.0° |
| C06 | N05 | H9 | 120.4° | 120.0° |
| N05 | C06 | H10 | 113.8° | 109.5° |
| N05 | C13 | O03 | 121.9° | 120.0° |
| N05 | C13 | C16 | 115.8° | 120.0° |
| C13 | N05 | H9 | 120.3° | 120.0° |
| O03 | C13 | C16 | 122.1° | 120.0° |
| C13 | C16 | C20 | 128.3° | 120.1° |
| C13 | C16 | C19 | 109.0° | 120.1° |
| CL01 | C19 | C16 | 110.7° | 120.1° |
| CL01 | C19 | C22 | 129.1° | 120.1° |
| C20 | C16 | C19 | 122.6° | 119.8° |
| C16 | C20 | C23 | 117.9° | 119.8° |
| C16 | C20 | H5 | 121.1° | 120.1° |
| C16 | C19 | C22 | 120.2° | 119.8° |
| C20 | C23 | C24 | 120.5° | 120.2° |
| C23 | C20 | H5 | 121.0° | 120.1° |
| C20 | C23 | H21 | 119.8° | 119.9° |
| C19 | C22 | C24 | 119.1° | 120.1° |
| C19 | C22 | H7 | 120.5° | 119.9° |
| C23 | C24 | C22 | 119.8° | 120.3° |
| C23 | C24 | CL02 | 119.5° | 119.8° |
| C24 | C23 | H21 | 119.8° | 119.9° |
| C22 | C24 | CL02 | 120.7° | 119.8° |
| C24 | C22 | H7 | 120.5° | 120.0° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H11 | C07 | H12 | 109.5° | 109.5° |
| H13 | C08 | H14 | 109.5° | 109.6° |
| H15 | C09 | H16 | 109.5° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C21 | C17 | H6 | 180.0° | 179.5° |
| C21 | C18 | C15 | H20 | 180.0° | 179.4° |
| C18 | C21 | C17 | C14 | 1.7° | 0.8° |
| C21 | C18 | C15 | C12 | 1.6° | 0.1° |
| C21 | C18 | C15 | H3 | 178.4° | 179.8° |
| C18 | C21 | C17 | H4 | 178.3° | 179.8° |
| C17 | C21 | C18 | C15 | 0.5° | 0.5° |
| C21 | C17 | C14 | H4 | 180.0° | 179.5° |
| C21 | C17 | C14 | C12 | 0.9° | 0.5° |
| C21 | C17 | C14 | H19 | 179.2° | 179.5° |
| C17 | C21 | C18 | H20 | 179.5° | 180.0° |
| C18 | C15 | C12 | H3 | 180.0° | 179.8° |
| C18 | C15 | C12 | C14 | 2.5° | 0.2° |
| C18 | C15 | C12 | C11 | 178.6° | 179.8° |
| C15 | C18 | C21 | H6 | 179.5° | 180.0° |
| C17 | C14 | C12 | C15 | 1.3° | 0.1° |
| C17 | C14 | C12 | H19 | 180.0° | 180.0° |
| C17 | C14 | C12 | C11 | 177.5° | 180.0° |
| C14 | C17 | C21 | H6 | 178.3° | 179.7° |
| C15 | C12 | C14 | C11 | 176.2° | 179.9° |
| C15 | C12 | C11 | N04 | 63.1° | 90.0° |
| C15 | C12 | C11 | H17 | 175.5° | 30.1° |
| C15 | C12 | C11 | H18 | 58.5° | 150.0° |
| C15 | C12 | C14 | H19 | 178.7° | 180.0° |
| C12 | C15 | C18 | H20 | 178.4° | 179.5° |
| C14 | C12 | C11 | N04 | 120.8° | 90.0° |
| C14 | C12 | C15 | H3 | 177.5° | 180.0° |
| C12 | C14 | C17 | H4 | 179.2° | 180.0° |
| C14 | C12 | C11 | H17 | 0.7° | 150.0° |
| C14 | C12 | C11 | H18 | 117.7° | 30.0° |
| C12 | C11 | N04 | H17 | 121.5° | 120.0° |
| C12 | C11 | N04 | H18 | 121.5° | 120.0° |
| C12 | C11 | N04 | C09 | 101.2° | 65.8° |
| C12 | C11 | N04 | C10 | 147.0° | 170.0° |
| C11 | C12 | C15 | H3 | 1.4° | 0.1° |
| C12 | C11 | H17 | H18 | 115.2° | 119.9° |
| C11 | C12 | C14 | H19 | 2.5° | 0.0° |
| C11 | N04 | C09 | C10 | 106.6° | 124.1° |
| C11 | N04 | C09 | C07 | 154.5° | 174.2° |
| C11 | N04 | C10 | C08 | 82.5° | 174.1° |
| C11 | N04 | C10 | H1 | 157.6° | 54.1° |
| C11 | N04 | C10 | H2 | 37.4° | 65.8° |
| C11 | N04 | C09 | H15 | 34.3° | 65.8° |
| C11 | N04 | C09 | H16 | 85.4° | 54.1° |
| N04 | C11 | H17 | H18 | 115.2° | 120.0° |
| N04 | C09 | C07 | H15 | 120.1° | 120.0° |
| N04 | C09 | C07 | H16 | 120.2° | 120.0° |
| C09 | N04 | C10 | C08 | 27.1° | 61.7° |
| N04 | C09 | C07 | C06 | 74.4° | 59.1° |
| C09 | N04 | C10 | H1 | 92.7° | 178.2° |
| C09 | N04 | C10 | H2 | 147.0° | 58.3° |
| N04 | C09 | C07 | H11 | 166.3° | 60.8° |
| N04 | C09 | C07 | H12 | 44.9° | 179.1° |
| N04 | C09 | H15 | H16 | 119.6° | 120.0° |
| C09 | N04 | C11 | H17 | 137.3° | 54.2° |
| C09 | N04 | C11 | H18 | 20.3° | 174.2° |
| C07 | C09 | N04 | C10 | 47.9° | 61.7° |
| C09 | C07 | C06 | H11 | 119.3° | 119.9° |
| C09 | C07 | C06 | H12 | 119.3° | 120.0° |
| C09 | C07 | C06 | C08 | 13.5° | 57.6° |
| C09 | C07 | C06 | N05 | 124.9° | 177.5° |
| C09 | C07 | C06 | H10 | 108.5° | 62.4° |
| C09 | C07 | H11 | H12 | 122.1° | 120.1° |
| C07 | C09 | H15 | H16 | 119.5° | 120.0° |
| N04 | C10 | C08 | H1 | 119.9° | 120.0° |
| N04 | C10 | C08 | H2 | 119.9° | 120.0° |
| N04 | C10 | C08 | C06 | 83.9° | 59.2° |
| N04 | C10 | H1 | H2 | 120.4° | 119.9° |
| N04 | C10 | C08 | H13 | 157.4° | 60.8° |
| N04 | C10 | C08 | H14 | 34.8° | 179.1° |
| C10 | N04 | C09 | H15 | 72.3° | 58.3° |
| C10 | N04 | C09 | H16 | 168.0° | 178.3° |
| C10 | N04 | C11 | H17 | 25.5° | 70.0° |
| C10 | N04 | C11 | H18 | 91.5° | 50.0° |
| C10 | C08 | C06 | C07 | 49.9° | 57.6° |
| C10 | C08 | C06 | H13 | 118.7° | 119.9° |
| C10 | C08 | C06 | H14 | 118.7° | 119.9° |
| C10 | C08 | C06 | N05 | 63.7° | 177.6° |
| C08 | C10 | H1 | H2 | 120.5° | 120.0° |
| C10 | C08 | C06 | H10 | 171.8° | 62.3° |
| C10 | C08 | H13 | H14 | 123.8° | 120.1° |
| C07 | C06 | C08 | N05 | 113.6° | 119.9° |
| C07 | C06 | C08 | H10 | 121.9° | 119.9° |
| C07 | C06 | N05 | H10 | 125.9° | 120.1° |
| C07 | C06 | N05 | C13 | 170.9° | 155.1° |
| C07 | C06 | N05 | H9 | 9.1° | 24.8° |
| C06 | C07 | H11 | H12 | 122.1° | 120.1° |
| C07 | C06 | C08 | H13 | 168.6° | 62.3° |
| C07 | C06 | C08 | H14 | 68.8° | 177.6° |
| C06 | C07 | C09 | H15 | 45.8° | 60.9° |
| C06 | C07 | C09 | H16 | 165.4° | 179.2° |
| C08 | C06 | N05 | H10 | 123.8° | 120.2° |
| C08 | C06 | N05 | C13 | 78.7° | 85.2° |
| C06 | C08 | C10 | H1 | 36.0° | 179.2° |
| C06 | C08 | C10 | H2 | 156.3° | 60.8° |
| C08 | C06 | N05 | H9 | 101.3° | 94.9° |
| C08 | C06 | C07 | H11 | 132.8° | 62.3° |
| C08 | C06 | C07 | H12 | 105.8° | 177.7° |
| C06 | C08 | H13 | H14 | 123.7° | 120.1° |
| C06 | N05 | C13 | H9 | 180.0° | 179.9° |
| C06 | N05 | C13 | O03 | 4.8° | 0.1° |
| C06 | N05 | C13 | C16 | 179.9° | 180.0° |
| N05 | C06 | C07 | H11 | 115.8° | 57.6° |
| N05 | C06 | C07 | H12 | 5.6° | 62.5° |
| N05 | C06 | C08 | H13 | 55.0° | 57.6° |
| N05 | C06 | C08 | H14 | 177.6° | 62.5° |
| N05 | C13 | O03 | C16 | 174.8° | 179.9° |
| N05 | C13 | C16 | C20 | 100.7° | 0.1° |
| N05 | C13 | C16 | C19 | 78.0° | 180.0° |
| C13 | N05 | C06 | H10 | 45.1° | 35.0° |
| O03 | C13 | C16 | C20 | 84.3° | 180.0° |
| O03 | C13 | C16 | C19 | 97.0° | 0.0° |
| O03 | C13 | N05 | H9 | 175.2° | 180.0° |
| C13 | C16 | C19 | CL01 | 0.1° | 0.0° |
| C13 | C16 | C20 | C19 | 178.6° | 180.0° |
| C13 | C16 | C20 | C23 | 179.0° | 180.0° |
| C13 | C16 | C19 | C22 | 179.6° | 180.0° |
| C13 | C16 | C20 | H5 | 1.0° | 0.2° |
| C16 | C13 | N05 | H9 | 0.1° | 0.1° |
| CL01 | C19 | C16 | C20 | 178.9° | 180.0° |
| CL01 | C19 | C16 | C22 | 179.7° | 180.0° |
| CL01 | C19 | C22 | C24 | 179.0° | 179.7° |
| CL01 | C19 | C22 | H7 | 1.0° | 0.3° |
| C16 | C20 | C23 | H5 | 180.0° | 179.8° |
| C20 | C16 | C19 | C22 | 0.7° | 0.0° |
| C16 | C20 | C23 | C24 | 0.0° | 0.3° |
| C16 | C20 | C23 | H21 | 179.9° | 179.7° |
| C19 | C16 | C20 | C23 | 0.5° | 0.0° |
| C16 | C19 | C22 | C24 | 0.6° | 0.3° |
| C19 | C16 | C20 | H5 | 179.6° | 179.7° |
| C16 | C19 | C22 | H7 | 179.4° | 179.7° |
| C20 | C23 | C24 | H21 | 180.0° | 180.0° |
| C20 | C23 | C24 | C22 | 0.1° | 0.6° |
| C20 | C23 | C24 | CL02 | 179.9° | 179.5° |
| C19 | C22 | C24 | C23 | 0.2° | 0.6° |
| C19 | C22 | C24 | H7 | 180.0° | 179.5° |
| C19 | C22 | C24 | CL02 | 179.9° | 179.5° |
| C23 | C24 | C22 | CL02 | 179.9° | 180.0° |
| C24 | C23 | C20 | H5 | 180.0° | 180.0° |
| C23 | C24 | C22 | H7 | 179.8° | 180.0° |
| C22 | C24 | C23 | H21 | 180.0° | 179.4° |
| CL02 | C24 | C22 | H7 | 0.1° | 0.0° |
| CL02 | C24 | C23 | H21 | 0.1° | 0.5° |
| H1 | C10 | C08 | H13 | 82.7° | 59.3° |
| H1 | C10 | C08 | H14 | 154.7° | 60.9° |
| H2 | C10 | C08 | H13 | 37.6° | 179.2° |
| H2 | C10 | C08 | H14 | 85.1° | 59.0° |
| H3 | C15 | C18 | H20 | 1.6° | 0.3° |
| H4 | C17 | C21 | H6 | 1.7° | 0.3° |
| H4 | C17 | C14 | H19 | 0.8° | 0.0° |
| H5 | C20 | C23 | H21 | 0.0° | 0.0° |
| H6 | C21 | C18 | H20 | 0.5° | 0.5° |
| H9 | N05 | C06 | H10 | 135.0° | 144.9° |
| H10 | C06 | C07 | H11 | 10.8° | 177.7° |
| H10 | C06 | C07 | H12 | 132.2° | 57.7° |
| H10 | C06 | C08 | H13 | 69.5° | 177.8° |
| H10 | C06 | C08 | H14 | 53.1° | 57.6° |
| H11 | C07 | C09 | H15 | 73.5° | 179.2° |
| H11 | C07 | C09 | H16 | 46.2° | 59.3° |
| H12 | C07 | C09 | H15 | 165.0° | 59.1° |
| H12 | C07 | C09 | H16 | 75.3° | 60.8° |
