A1EUF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | doub | 1.21Å | 1.23Å | |
| C2 | N3 | sing | 1.34Å | 1.33Å | |
| N3 | C4 | sing | 1.46Å | 1.46Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C6 | C7 | doub | 1.34Å | 1.37Å | Aromatic |
| C7 | N8 | sing | 1.37Å | 1.37Å | Aromatic |
| N8 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C9 | C10 | doub | 1.41Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.37Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | CL14 | sing | 1.74Å | 1.74Å | |
| C13 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C16 | sing | 1.50Å | 1.52Å | |
| C16 | N17 | sing | 1.34Å | 1.33Å | |
| N17 | C18 | sing | 1.46Å | 1.46Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.51Å | 1.50Å | |
| C20 | C21 | doub | 1.34Å | 1.36Å | Aromatic |
| C21 | N22 | sing | 1.37Å | 1.37Å | Aromatic |
| N22 | C23 | sing | 1.38Å | 1.37Å | Aromatic |
| C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | CL26 | sing | 1.74Å | 1.74Å | |
| C25 | C27 | doub | 1.39Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.37Å | 1.38Å | Aromatic |
| C28 | C29 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | O30 | doub | 1.21Å | 1.22Å | |
| C18 | C2 | sing | 1.50Å | 1.51Å | |
| C10 | C6 | sing | 1.47Å | 1.44Å | Aromatic |
| C15 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C20 | sing | 1.47Å | 1.44Å | Aromatic |
| C29 | C23 | sing | 1.41Å | 1.41Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C5 | H5B | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| N17 | H17 | sing | 0.97Å | 1.00Å | |
| N22 | H22 | sing | 0.97Å | 1.00Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| N8 | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | N3 | 123.2° | 118.7° |
| O1 | C2 | C18 | 120.2° | 118.6° |
| C2 | N3 | C4 | 124.6° | 122.9° |
| N3 | C2 | C18 | 116.6° | 122.7° |
| C2 | N3 | H3 | 117.7° | 118.5° |
| N3 | C4 | C5 | 111.2° | 109.1° |
| N3 | C4 | C16 | 111.8° | 111.3° |
| N3 | C4 | H4 | 107.9° | 109.1° |
| C4 | N3 | H3 | 117.7° | 118.6° |
| C4 | C5 | C6 | 115.5° | 109.5° |
| C5 | C4 | C16 | 111.4° | 109.1° |
| C5 | C4 | H4 | 107.0° | 109.1° |
| C4 | C5 | H5A | 107.9° | 109.5° |
| C4 | C5 | H5B | 107.9° | 109.5° |
| C5 | C6 | C7 | 127.6° | 126.5° |
| C5 | C6 | C10 | 126.3° | 126.5° |
| C6 | C5 | H5A | 108.0° | 109.5° |
| C6 | C5 | H5B | 107.9° | 109.5° |
| C6 | C7 | N8 | 110.3° | 109.9° |
| C7 | C6 | C10 | 106.0° | 107.0° |
| C6 | C7 | H7 | 124.8° | 125.1° |
| C7 | N8 | C9 | 109.0° | 109.9° |
| N8 | C7 | H7 | 124.8° | 125.0° |
| C7 | N8 | H8 | 125.5° | 125.0° |
| N8 | C9 | C10 | 107.4° | 107.1° |
| N8 | C9 | C15 | 130.6° | 133.5° |
| C9 | N8 | H8 | 125.5° | 125.1° |
| C9 | C10 | C11 | 118.3° | 119.9° |
| C9 | C10 | C6 | 107.2° | 106.1° |
| C10 | C9 | C15 | 122.0° | 119.3° |
| C10 | C11 | C12 | 120.4° | 119.8° |
| C11 | C10 | C6 | 134.4° | 134.0° |
| C10 | C11 | H11 | 119.8° | 120.1° |
| C11 | C12 | C13 | 119.6° | 120.5° |
| C12 | C11 | H11 | 119.8° | 120.1° |
| C11 | C12 | H12 | 120.2° | 119.7° |
| C12 | C13 | CL14 | 119.1° | 119.7° |
| C12 | C13 | C15 | 122.1° | 120.7° |
| C13 | C12 | H12 | 120.2° | 119.8° |
| CL14 | C13 | C15 | 118.8° | 119.7° |
| C13 | C15 | C9 | 117.6° | 119.8° |
| C13 | C15 | H15 | 121.2° | 120.2° |
| C4 | C16 | N17 | 117.8° | 122.7° |
| C4 | C16 | O30 | 119.8° | 118.6° |
| C16 | C4 | H4 | 107.2° | 109.1° |
| C16 | N17 | C18 | 124.1° | 122.9° |
| N17 | C16 | O30 | 122.4° | 118.7° |
| C16 | N17 | H17 | 117.9° | 118.5° |
| N17 | C18 | C19 | 110.9° | 109.1° |
| N17 | C18 | C2 | 110.7° | 111.4° |
| N17 | C18 | H18 | 107.8° | 109.1° |
| C18 | N17 | H17 | 118.0° | 118.6° |
| C18 | C19 | C20 | 110.3° | 109.5° |
| C19 | C18 | C2 | 113.1° | 108.9° |
| C19 | C18 | H18 | 107.0° | 109.1° |
| C18 | C19 | H19A | 109.2° | 109.5° |
| C18 | C19 | H19B | 109.3° | 109.5° |
| C19 | C20 | C21 | 127.4° | 126.5° |
| C19 | C20 | C29 | 126.2° | 126.5° |
| C20 | C19 | H19A | 109.3° | 109.5° |
| C20 | C19 | H19B | 109.3° | 109.4° |
| C20 | C21 | N22 | 110.2° | 110.0° |
| C21 | C20 | C29 | 106.3° | 107.0° |
| C20 | C21 | H21 | 124.9° | 125.1° |
| C21 | N22 | C23 | 109.0° | 109.9° |
| N22 | C21 | H21 | 124.9° | 125.0° |
| C21 | N22 | H22 | 125.5° | 125.1° |
| N22 | C23 | C24 | 130.6° | 133.5° |
| N22 | C23 | C29 | 107.5° | 107.1° |
| C23 | N22 | H22 | 125.5° | 125.0° |
| C23 | C24 | C25 | 117.6° | 119.7° |
| C24 | C23 | C29 | 121.9° | 119.4° |
| C23 | C24 | H24 | 121.2° | 120.1° |
| C24 | C25 | CL26 | 118.8° | 119.6° |
| C24 | C25 | C27 | 122.1° | 120.7° |
| C25 | C24 | H24 | 121.2° | 120.2° |
| CL26 | C25 | C27 | 119.1° | 119.7° |
| C25 | C27 | C28 | 119.6° | 120.6° |
| C25 | C27 | H27 | 120.2° | 119.8° |
| C27 | C28 | C29 | 120.4° | 119.8° |
| C28 | C27 | H27 | 120.2° | 119.7° |
| C27 | C28 | H28 | 119.8° | 120.2° |
| C28 | C29 | C20 | 134.5° | 134.0° |
| C28 | C29 | C23 | 118.4° | 119.9° |
| C29 | C28 | H28 | 119.8° | 120.1° |
| C2 | C18 | H18 | 107.1° | 109.2° |
| C9 | C15 | H15 | 121.2° | 120.1° |
| C20 | C29 | C23 | 107.1° | 106.0° |
| H19A | C19 | H19B | 109.5° | 109.4° |
| H5A | C5 | H5B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | N3 | C18 | 179.3° | 179.5° |
| O1 | C2 | N3 | C4 | 167.6° | 179.8° |
| O1 | C2 | C18 | N17 | 143.0° | 160.4° |
| O1 | C2 | C18 | C19 | 17.9° | 79.3° |
| O1 | C2 | C18 | H18 | 99.7° | 39.7° |
| O1 | C2 | N3 | H3 | 12.4° | 0.1° |
| C2 | N3 | C4 | H3 | 180.0° | 179.7° |
| C2 | N3 | C4 | C5 | 145.2° | 100.8° |
| C2 | N3 | C4 | C16 | 19.9° | 19.8° |
| N3 | C2 | C18 | N17 | 36.3° | 19.2° |
| N3 | C2 | C18 | C19 | 161.4° | 101.1° |
| N3 | C2 | C18 | H18 | 81.0° | 139.8° |
| C2 | N3 | C4 | H4 | 97.8° | 140.2° |
| N3 | C4 | C5 | C16 | 125.5° | 121.8° |
| N3 | C4 | C5 | H4 | 117.6° | 119.1° |
| N3 | C4 | C5 | C6 | 156.5° | 65.0° |
| N3 | C4 | C16 | H4 | 118.1° | 120.4° |
| N3 | C4 | C16 | N17 | 26.2° | 19.7° |
| N3 | C4 | C16 | O30 | 154.2° | 160.3° |
| C4 | N3 | C2 | C18 | 11.7° | 0.6° |
| N3 | C4 | C5 | H5A | 35.6° | 55.1° |
| N3 | C4 | C5 | H5B | 82.6° | 175.0° |
| C4 | C5 | C6 | H5A | 120.9° | 120.0° |
| C4 | C5 | C6 | H5B | 120.9° | 120.1° |
| C4 | C5 | C6 | C7 | 26.9° | 95.0° |
| C5 | C4 | C16 | H4 | 116.8° | 119.1° |
| C5 | C4 | C16 | N17 | 151.3° | 100.8° |
| C5 | C4 | C16 | O30 | 29.1° | 79.2° |
| C4 | C5 | C6 | C10 | 156.9° | 85.3° |
| C4 | C5 | H5A | H5B | 117.3° | 120.0° |
| C5 | C4 | N3 | H3 | 34.9° | 78.9° |
| C5 | C6 | C7 | C10 | 176.8° | 179.7° |
| C5 | C6 | C7 | N8 | 176.7° | 179.9° |
| C5 | C6 | C10 | C9 | 176.8° | 180.0° |
| C5 | C6 | C10 | C11 | 2.8° | 0.1° |
| C6 | C5 | C4 | C16 | 78.0° | 173.2° |
| C6 | C5 | C4 | H4 | 38.9° | 54.1° |
| C6 | C5 | H5A | H5B | 117.3° | 120.0° |
| C5 | C6 | C7 | H7 | 3.3° | 0.0° |
| C6 | C7 | N8 | H7 | 180.0° | 179.8° |
| C6 | C7 | N8 | C9 | 0.0° | 0.4° |
| C7 | C6 | C10 | C9 | 0.1° | 0.2° |
| C7 | C6 | C10 | C11 | 179.7° | 179.8° |
| C7 | C6 | C5 | H5A | 147.8° | 145.0° |
| C7 | C6 | C5 | H5B | 93.9° | 25.0° |
| C6 | C7 | N8 | H8 | 180.0° | 179.9° |
| C7 | N8 | C9 | H8 | 180.0° | 179.7° |
| C7 | N8 | C9 | C10 | 0.0° | 0.3° |
| N8 | C7 | C6 | C10 | 0.1° | 0.4° |
| C7 | N8 | C9 | C15 | 179.6° | 179.8° |
| N8 | C9 | C10 | C15 | 179.6° | 179.9° |
| N8 | C9 | C10 | C11 | 179.7° | 179.9° |
| N8 | C9 | C15 | C13 | 179.5° | 180.0° |
| N8 | C9 | C10 | C6 | 0.1° | 0.0° |
| N8 | C9 | C15 | H15 | 0.5° | 0.1° |
| C9 | N8 | C7 | H7 | 180.0° | 179.7° |
| C9 | C10 | C11 | C6 | 179.6° | 179.9° |
| C9 | C10 | C11 | C12 | 0.1° | 0.1° |
| C10 | C9 | C15 | C13 | 0.0° | 0.1° |
| C9 | C10 | C11 | H11 | 179.9° | 180.0° |
| C10 | C9 | C15 | H15 | 180.0° | 180.0° |
| C10 | C9 | N8 | H8 | 180.0° | 179.9° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.1° |
| C11 | C10 | C9 | C15 | 0.1° | 0.0° |
| C10 | C11 | C12 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | CL14 | 179.1° | 179.9° |
| C11 | C12 | C13 | C15 | 0.1° | 0.0° |
| C12 | C11 | C10 | C6 | 179.4° | 180.0° |
| C12 | C13 | CL14 | C15 | 179.2° | 179.9° |
| C12 | C13 | C15 | C9 | 0.1° | 0.1° |
| C13 | C12 | C11 | H11 | 179.9° | 180.0° |
| C12 | C13 | C15 | H15 | 179.9° | 180.0° |
| CL14 | C13 | C15 | C9 | 179.1° | 180.0° |
| CL14 | C13 | C12 | H12 | 0.9° | 0.0° |
| CL14 | C13 | C15 | H15 | 0.9° | 0.1° |
| C13 | C15 | C9 | H15 | 180.0° | 179.9° |
| C15 | C13 | C12 | H12 | 179.9° | 179.9° |
| C4 | C16 | N17 | O30 | 179.6° | 180.0° |
| C4 | C16 | N17 | C18 | 0.4° | 0.0° |
| C16 | C4 | C5 | H5A | 161.1° | 66.8° |
| C16 | C4 | C5 | H5B | 42.9° | 53.2° |
| C4 | C16 | N17 | H17 | 179.6° | 179.9° |
| C16 | C4 | N3 | H3 | 160.1° | 160.5° |
| C16 | N17 | C18 | H17 | 180.0° | 179.9° |
| C16 | N17 | C18 | C19 | 157.2° | 101.0° |
| C16 | N17 | C18 | C2 | 30.9° | 19.2° |
| C16 | N17 | C18 | H18 | 86.0° | 139.9° |
| N17 | C16 | C4 | H4 | 91.9° | 140.1° |
| N17 | C18 | C19 | C2 | 125.0° | 121.8° |
| N17 | C18 | C19 | H18 | 117.3° | 119.1° |
| N17 | C18 | C19 | C20 | 51.9° | 65.0° |
| C18 | N17 | C16 | O30 | 179.9° | 180.0° |
| N17 | C18 | C2 | H18 | 117.3° | 120.6° |
| N17 | C18 | C19 | H19A | 68.2° | 55.0° |
| N17 | C18 | C19 | H19B | 172.1° | 175.0° |
| C18 | C19 | C20 | H19A | 120.1° | 120.1° |
| C18 | C19 | C20 | H19B | 120.1° | 120.0° |
| C18 | C19 | C20 | C21 | 103.2° | 95.0° |
| C19 | C18 | C2 | H18 | 117.6° | 119.1° |
| C18 | C19 | C20 | C29 | 71.6° | 85.3° |
| C18 | C19 | H19A | H19B | 119.6° | 120.0° |
| C19 | C18 | N17 | H17 | 22.8° | 79.1° |
| C19 | C20 | C21 | C29 | 175.7° | 179.7° |
| C19 | C20 | C21 | N22 | 175.6° | 179.8° |
| C19 | C20 | C29 | C28 | 3.0° | 0.0° |
| C20 | C19 | C18 | C2 | 176.9° | 173.2° |
| C19 | C20 | C29 | C23 | 175.6° | 180.0° |
| C20 | C19 | C18 | H18 | 65.4° | 54.1° |
| C20 | C19 | H19A | H19B | 119.6° | 120.0° |
| C19 | C20 | C21 | H21 | 4.5° | 0.0° |
| C20 | C21 | N22 | H21 | 180.0° | 179.8° |
| C20 | C21 | N22 | C23 | 0.0° | 0.4° |
| C21 | C20 | C29 | C28 | 178.8° | 179.8° |
| C21 | C20 | C29 | C23 | 0.2° | 0.3° |
| C21 | C20 | C19 | H19A | 16.9° | 144.9° |
| C21 | C20 | C19 | H19B | 136.6° | 25.0° |
| C20 | C21 | N22 | H22 | 180.0° | 179.8° |
| C21 | N22 | C23 | H22 | 180.0° | 179.8° |
| C21 | N22 | C23 | C24 | 178.7° | 179.8° |
| N22 | C21 | C20 | C29 | 0.1° | 0.4° |
| C21 | N22 | C23 | C29 | 0.1° | 0.2° |
| N22 | C23 | C24 | C29 | 178.7° | 180.0° |
| N22 | C23 | C24 | C25 | 178.7° | 180.0° |
| N22 | C23 | C29 | C28 | 179.0° | 180.0° |
| N22 | C23 | C29 | C20 | 0.2° | 0.0° |
| C23 | N22 | C21 | H21 | 180.0° | 179.7° |
| N22 | C23 | C24 | H24 | 1.3° | 0.0° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | CL26 | 178.7° | 180.0° |
| C23 | C24 | C25 | C27 | 0.1° | 0.0° |
| C24 | C23 | C29 | C28 | 0.1° | 0.0° |
| C24 | C23 | C29 | C20 | 178.8° | 180.0° |
| C24 | C23 | N22 | H22 | 1.3° | 0.0° |
| C24 | C25 | CL26 | C27 | 178.9° | 180.0° |
| C24 | C25 | C27 | C28 | 0.1° | 0.0° |
| C25 | C24 | C23 | C29 | 0.0° | 0.0° |
| C24 | C25 | C27 | H27 | 179.9° | 180.0° |
| CL26 | C25 | C27 | C28 | 178.7° | 179.9° |
| CL26 | C25 | C24 | H24 | 1.3° | 0.1° |
| CL26 | C25 | C27 | H27 | 1.3° | 0.0° |
| C25 | C27 | C28 | H27 | 180.0° | 179.9° |
| C25 | C27 | C28 | C29 | 0.0° | 0.1° |
| C27 | C25 | C24 | H24 | 179.9° | 180.0° |
| C25 | C27 | C28 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C20 | 178.4° | 180.0° |
| C27 | C28 | C29 | C23 | 0.1° | 0.0° |
| C28 | C29 | C20 | C23 | 178.6° | 180.0° |
| C29 | C28 | C27 | H27 | 180.0° | 180.0° |
| O30 | C16 | C4 | H4 | 87.6° | 39.9° |
| O30 | C16 | N17 | H17 | 0.1° | 0.1° |
| C2 | C18 | C19 | H19A | 56.8° | 66.7° |
| C2 | C18 | C19 | H19B | 62.9° | 53.3° |
| C2 | C18 | N17 | H17 | 149.1° | 160.7° |
| C18 | C2 | N3 | H3 | 168.3° | 179.7° |
| C6 | C10 | C9 | C15 | 179.6° | 180.0° |
| C6 | C10 | C11 | H11 | 0.6° | 0.0° |
| C10 | C6 | C5 | H5A | 36.0° | 34.7° |
| C10 | C6 | C5 | H5B | 82.3° | 154.6° |
| C10 | C6 | C7 | H7 | 179.9° | 179.7° |
| C15 | C9 | N8 | H8 | 0.4° | 0.1° |
| C29 | C20 | C19 | H19A | 168.3° | 34.8° |
| C29 | C20 | C19 | H19B | 48.5° | 154.7° |
| C29 | C20 | C21 | H21 | 179.9° | 179.8° |
| C20 | C29 | C28 | H28 | 1.6° | 0.0° |
| C29 | C23 | C24 | H24 | 180.0° | 180.0° |
| C23 | C29 | C28 | H28 | 179.9° | 180.0° |
| C29 | C23 | N22 | H22 | 179.9° | 179.9° |
| H11 | C11 | C12 | H12 | 0.0° | 0.1° |
| H18 | C18 | C19 | H19A | 174.5° | 174.2° |
| H18 | C18 | C19 | H19B | 54.7° | 65.9° |
| H18 | C18 | N17 | H17 | 94.0° | 40.0° |
| H21 | C21 | N22 | H22 | 0.0° | 0.1° |
| H27 | C27 | C28 | H28 | 0.0° | 0.0° |
| H4 | C4 | C5 | H5A | 82.0° | 174.1° |
| H4 | C4 | C5 | H5B | 159.7° | 65.9° |
| H4 | C4 | N3 | H3 | 82.2° | 40.1° |
| H7 | C7 | N8 | H8 | 0.0° | 0.0° |
