FYL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | C13 | sing | 1.43Å | 1.42Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | C5 | sing | 1.51Å | 1.48Å | |
| N4 | C5 | doub | 1.30Å | 1.30Å | Aromatic |
| N4 | C3 | sing | 1.34Å | 1.29Å | Aromatic |
| C5 | N1 | sing | 1.35Å | 1.35Å | Aromatic |
| C3 | C2 | doub | 1.35Å | 1.38Å | Aromatic |
| N1 | C2 | sing | 1.37Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.47Å | 1.45Å | |
| C6 | C7 | sing | 1.51Å | 1.53Å | |
| C7 | N8 | doub | 1.30Å | 1.38Å | Aromatic |
| C7 | C11 | sing | 1.41Å | 1.43Å | Aromatic |
| N8 | O9 | sing | 1.21Å | 1.36Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| O9 | C10 | sing | 1.35Å | 1.38Å | Aromatic |
| C10 | C12 | sing | 1.43Å | 1.36Å | |
| C12 | C16 | trip | 1.17Å | 1.21Å | |
| C16 | C17 | sing | 1.43Å | 1.31Å | |
| C22 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| C21 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | O23 | sing | 1.36Å | 1.40Å | |
| O23 | C24 | sing | 1.43Å | 1.43Å | |
| O29 | C26 | sing | 1.43Å | 1.43Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | N28 | sing | 1.47Å | 1.47Å | |
| C25 | C27 | sing | 1.53Å | 1.52Å | |
| O30 | C27 | sing | 1.43Å | 1.43Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| O15 | H10 | sing | 0.97Å | 0.95Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| N28 | H21 | sing | 1.01Å | 1.00Å | |
| N28 | H22 | sing | 1.01Å | 1.00Å | |
| O29 | H24 | sing | 0.97Å | 0.95Å | |
| O30 | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | C13 | C14 | 110.6° | 109.5° |
| O15 | C13 | C5 | 108.4° | 109.5° |
| O15 | C13 | H6 | 109.7° | 109.5° |
| C13 | O15 | H10 | 109.5° | 113.9° |
| C14 | C13 | C5 | 111.0° | 109.5° |
| C14 | C13 | H6 | 108.1° | 109.4° |
| C13 | C14 | H7 | 109.5° | 109.5° |
| C13 | C14 | H8 | 109.5° | 109.5° |
| C13 | C14 | H9 | 109.5° | 109.4° |
| C13 | C5 | N4 | 128.9° | 125.7° |
| C13 | C5 | N1 | 127.3° | 125.6° |
| C5 | C13 | H6 | 108.9° | 109.5° |
| C5 | N4 | C3 | 116.2° | 109.3° |
| N4 | C5 | N1 | 103.8° | 108.7° |
| N4 | C3 | C2 | 103.5° | 108.0° |
| N4 | C3 | H2 | 128.2° | 126.0° |
| C5 | N1 | C2 | 108.6° | 107.2° |
| C5 | N1 | C6 | 126.2° | 126.4° |
| C3 | C2 | N1 | 107.8° | 106.8° |
| C3 | C2 | H1 | 126.1° | 126.6° |
| C2 | C3 | H2 | 128.3° | 126.0° |
| C2 | N1 | C6 | 125.1° | 126.4° |
| N1 | C2 | H1 | 126.1° | 126.6° |
| N1 | C6 | C7 | 115.1° | 109.4° |
| N1 | C6 | H3 | 108.1° | 109.4° |
| N1 | C6 | H4 | 108.1° | 109.4° |
| C6 | C7 | N8 | 123.6° | 126.6° |
| C6 | C7 | C11 | 126.5° | 126.6° |
| C7 | C6 | H3 | 108.1° | 109.5° |
| C7 | C6 | H4 | 108.0° | 109.5° |
| N8 | C7 | C11 | 109.8° | 106.8° |
| C7 | N8 | O9 | 104.4° | 112.2° |
| C7 | C11 | C10 | 106.6° | 103.7° |
| C7 | C11 | H5 | 126.7° | 128.2° |
| N8 | O9 | C10 | 113.6° | 111.5° |
| C11 | C10 | O9 | 105.6° | 105.8° |
| C11 | C10 | C12 | 127.9° | 127.1° |
| C10 | C11 | H5 | 126.7° | 128.2° |
| O9 | C10 | C12 | 126.5° | 127.1° |
| C10 | C12 | C16 | 178.9° | 180.0° |
| C12 | C16 | C17 | 179.2° | 180.0° |
| C16 | C17 | C22 | 121.9° | 120.1° |
| C16 | C17 | C18 | 121.4° | 120.1° |
| C17 | C22 | C21 | 121.6° | 119.9° |
| C22 | C17 | C18 | 116.7° | 119.8° |
| C17 | C22 | H14 | 119.2° | 120.0° |
| C22 | C21 | C20 | 121.7° | 120.1° |
| C22 | C21 | H13 | 119.2° | 119.9° |
| C21 | C22 | H14 | 119.2° | 120.1° |
| C17 | C18 | C19 | 121.7° | 119.9° |
| C17 | C18 | H11 | 119.1° | 120.0° |
| C21 | C20 | C19 | 116.7° | 120.2° |
| C21 | C20 | O23 | 121.7° | 119.9° |
| C20 | C21 | H13 | 119.2° | 119.9° |
| C18 | C19 | C20 | 121.6° | 120.1° |
| C19 | C18 | H11 | 119.1° | 120.1° |
| C18 | C19 | H12 | 119.2° | 120.0° |
| C19 | C20 | O23 | 121.5° | 119.9° |
| C20 | C19 | H12 | 119.2° | 119.9° |
| C20 | O23 | C24 | 120.1° | 117.0° |
| O23 | C24 | C25 | 110.6° | 109.5° |
| O23 | C24 | H15 | 109.2° | 109.5° |
| O23 | C24 | H16 | 109.2° | 109.4° |
| O29 | C26 | C25 | 111.4° | 109.5° |
| O29 | C26 | H17 | 109.0° | 109.5° |
| O29 | C26 | H18 | 109.0° | 109.4° |
| C26 | O29 | H24 | 109.5° | 114.0° |
| C24 | C25 | C26 | 111.0° | 109.5° |
| C24 | C25 | N28 | 108.5° | 109.4° |
| C24 | C25 | C27 | 109.5° | 109.5° |
| C25 | C24 | H15 | 109.2° | 109.5° |
| C25 | C24 | H16 | 109.2° | 109.5° |
| C26 | C25 | N28 | 110.0° | 109.5° |
| C26 | C25 | C27 | 109.5° | 109.5° |
| C25 | C26 | H17 | 109.0° | 109.5° |
| C25 | C26 | H18 | 109.0° | 109.5° |
| N28 | C25 | C27 | 108.1° | 109.5° |
| C25 | N28 | H21 | 109.5° | 111.0° |
| C25 | N28 | H22 | 109.4° | 111.1° |
| C25 | C27 | O30 | 109.4° | 109.5° |
| C25 | C27 | H19 | 109.5° | 109.4° |
| C25 | C27 | H20 | 109.5° | 109.5° |
| O30 | C27 | H19 | 109.5° | 109.5° |
| O30 | C27 | H20 | 109.5° | 109.5° |
| C27 | O30 | H25 | 109.5° | 114.0° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H7 | C14 | H8 | 109.5° | 109.5° |
| H7 | C14 | H9 | 109.4° | 109.5° |
| H8 | C14 | H9 | 109.4° | 109.5° |
| H15 | C24 | H16 | 109.5° | 109.5° |
| H17 | C26 | H18 | 109.5° | 109.5° |
| H19 | C27 | H20 | 109.5° | 109.5° |
| H21 | N28 | H22 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | C13 | C14 | C5 | 120.4° | 120.0° |
| O15 | C13 | C14 | H6 | 120.1° | 120.0° |
| O15 | C13 | C5 | H6 | 119.3° | 120.0° |
| O15 | C13 | C5 | N4 | 21.0° | 45.0° |
| O15 | C13 | C5 | N1 | 158.9° | 134.5° |
| O15 | C13 | C14 | H7 | 180.0° | 180.0° |
| O15 | C13 | C14 | H8 | 60.0° | 60.0° |
| O15 | C13 | C14 | H9 | 60.0° | 60.0° |
| C14 | C13 | C5 | H6 | 119.0° | 119.9° |
| C14 | C13 | C5 | N4 | 100.7° | 75.0° |
| C14 | C13 | C5 | N1 | 79.4° | 105.5° |
| C13 | C14 | H7 | H8 | 120.0° | 120.0° |
| C13 | C14 | H7 | H9 | 120.0° | 120.0° |
| C13 | C14 | H8 | H9 | 120.0° | 120.0° |
| C14 | C13 | O15 | H10 | 180.0° | 60.0° |
| C13 | C5 | N4 | N1 | 179.9° | 179.6° |
| C13 | C5 | N4 | C3 | 177.6° | 180.0° |
| C13 | C5 | N1 | C2 | 178.6° | 180.0° |
| C13 | C5 | N1 | C6 | 0.7° | 0.2° |
| C5 | C13 | C14 | H7 | 59.5° | 60.0° |
| C5 | C13 | C14 | H8 | 179.6° | 180.0° |
| C5 | C13 | C14 | H9 | 60.5° | 60.0° |
| C5 | C13 | O15 | H10 | 58.0° | 180.0° |
| C5 | N4 | C3 | C2 | 2.3° | 0.3° |
| N4 | C5 | N1 | C2 | 1.3° | 0.4° |
| N4 | C5 | N1 | C6 | 179.2° | 179.8° |
| C5 | N4 | C3 | H2 | 177.7° | 179.8° |
| N4 | C5 | C13 | H6 | 140.4° | 165.0° |
| C3 | N4 | C5 | N1 | 2.3° | 0.5° |
| N4 | C3 | C2 | H2 | 180.0° | 179.9° |
| N4 | C3 | C2 | N1 | 1.2° | 0.1° |
| N4 | C3 | C2 | H1 | 178.8° | 180.0° |
| C5 | N1 | C2 | C3 | 0.0° | 0.2° |
| C5 | N1 | C2 | C6 | 178.0° | 179.8° |
| C5 | N1 | C6 | C7 | 100.1° | 84.7° |
| C5 | N1 | C2 | H1 | 179.9° | 179.7° |
| C5 | N1 | C6 | H3 | 139.0° | 155.3° |
| C5 | N1 | C6 | H4 | 20.7° | 35.2° |
| N1 | C5 | C13 | H6 | 39.5° | 14.5° |
| C3 | C2 | N1 | H1 | 180.0° | 179.9° |
| C3 | C2 | N1 | C6 | 178.0° | 180.0° |
| C2 | N1 | C6 | C7 | 82.2° | 95.0° |
| N1 | C2 | C3 | H2 | 178.7° | 179.9° |
| C2 | N1 | C6 | H3 | 38.6° | 25.0° |
| C2 | N1 | C6 | H4 | 156.9° | 145.0° |
| N1 | C6 | C7 | H3 | 120.8° | 120.0° |
| N1 | C6 | C7 | H4 | 120.8° | 119.9° |
| N1 | C6 | C7 | N8 | 126.9° | 55.0° |
| N1 | C6 | C7 | C11 | 54.5° | 124.8° |
| C6 | N1 | C2 | H1 | 2.0° | 0.0° |
| N1 | C6 | H3 | H4 | 117.5° | 120.0° |
| C6 | C7 | N8 | C11 | 178.8° | 179.8° |
| C6 | C7 | N8 | O9 | 179.4° | 180.0° |
| C6 | C7 | C11 | C10 | 179.4° | 179.9° |
| C7 | C6 | H3 | H4 | 117.4° | 120.1° |
| C6 | C7 | C11 | H5 | 0.6° | 0.1° |
| N8 | C7 | C11 | C10 | 0.6° | 0.4° |
| C7 | N8 | O9 | C10 | 0.4° | 0.0° |
| N8 | C7 | C6 | H3 | 112.3° | 174.9° |
| N8 | C7 | C6 | H4 | 6.0° | 65.0° |
| N8 | C7 | C11 | H5 | 179.4° | 179.6° |
| C11 | C7 | N8 | O9 | 0.6° | 0.3° |
| C7 | C11 | C10 | H5 | 180.0° | 180.0° |
| C7 | C11 | C10 | O9 | 0.4° | 0.4° |
| C7 | C11 | C10 | C12 | 179.9° | 179.9° |
| C11 | C7 | C6 | H3 | 66.3° | 4.8° |
| C11 | C7 | C6 | H4 | 175.4° | 115.3° |
| N8 | O9 | C10 | C11 | 0.0° | 0.3° |
| N8 | O9 | C10 | C12 | 179.7° | 180.0° |
| C11 | C10 | O9 | C12 | 179.7° | 179.7° |
| C11 | C10 | C12 | C16 | 145.9° | 174.2° |
| O9 | C10 | C12 | C16 | 33.7° | 6.1° |
| O9 | C10 | C11 | H5 | 179.7° | 179.6° |
| C10 | C12 | C16 | C17 | 2.4° | 119.8° |
| C12 | C10 | C11 | H5 | 0.0° | 0.1° |
| C12 | C16 | C17 | C22 | 164.3° | 114.0° |
| C12 | C16 | C17 | C18 | 15.6° | 66.3° |
| C16 | C17 | C22 | C18 | 179.9° | 179.7° |
| C16 | C17 | C22 | C21 | 180.0° | 179.8° |
| C16 | C17 | C18 | C19 | 180.0° | 179.9° |
| C16 | C17 | C18 | H11 | 0.0° | 0.1° |
| C16 | C17 | C22 | H14 | 0.0° | 0.0° |
| C17 | C22 | C21 | H14 | 180.0° | 179.8° |
| C17 | C22 | C21 | C20 | 0.0° | 0.5° |
| C22 | C17 | C18 | C19 | 0.0° | 0.3° |
| C22 | C17 | C18 | H11 | 180.0° | 179.8° |
| C17 | C22 | C21 | H13 | 180.0° | 179.7° |
| C21 | C22 | C17 | C18 | 0.0° | 0.5° |
| C22 | C21 | C20 | H13 | 180.0° | 179.8° |
| C22 | C21 | C20 | C19 | 0.0° | 0.2° |
| C22 | C21 | C20 | O23 | 180.0° | 179.8° |
| C17 | C18 | C19 | H11 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.0° | 0.0° |
| C17 | C18 | C19 | H12 | 180.0° | 180.0° |
| C18 | C17 | C22 | H14 | 180.0° | 179.7° |
| C21 | C20 | C19 | C18 | 0.0° | 0.1° |
| C21 | C20 | C19 | O23 | 180.0° | 180.0° |
| C21 | C20 | O23 | C24 | 133.5° | 0.0° |
| C21 | C20 | C19 | H12 | 180.0° | 180.0° |
| C20 | C21 | C22 | H14 | 180.0° | 179.7° |
| C18 | C19 | C20 | H12 | 180.0° | 180.0° |
| C18 | C19 | C20 | O23 | 180.0° | 180.0° |
| C19 | C20 | O23 | C24 | 46.5° | 180.0° |
| C20 | C19 | C18 | H11 | 180.0° | 180.0° |
| C19 | C20 | C21 | H13 | 180.0° | 180.0° |
| C20 | O23 | C24 | C25 | 173.7° | 180.0° |
| O23 | C20 | C19 | H12 | 0.0° | 0.0° |
| O23 | C20 | C21 | H13 | 0.0° | 0.1° |
| C20 | O23 | C24 | H15 | 66.2° | 60.0° |
| C20 | O23 | C24 | H16 | 53.5° | 60.0° |
| O23 | C24 | C25 | H15 | 120.1° | 120.0° |
| O23 | C24 | C25 | H16 | 120.2° | 120.0° |
| O23 | C24 | C25 | C26 | 23.7° | 65.0° |
| O23 | C24 | C25 | N28 | 97.3° | 55.0° |
| O23 | C24 | C25 | C27 | 144.8° | 175.0° |
| O23 | C24 | H15 | H16 | 119.5° | 120.0° |
| O29 | C26 | C25 | C24 | 92.5° | 60.0° |
| O29 | C26 | C25 | H17 | 120.3° | 120.0° |
| O29 | C26 | C25 | H18 | 120.3° | 119.9° |
| O29 | C26 | C25 | N28 | 27.7° | 180.0° |
| O29 | C26 | C25 | C27 | 146.4° | 60.0° |
| O29 | C26 | H17 | H18 | 119.1° | 119.9° |
| C24 | C25 | C26 | N28 | 120.2° | 120.0° |
| C24 | C25 | C26 | C27 | 121.1° | 120.0° |
| C24 | C25 | N28 | C27 | 118.7° | 120.0° |
| C24 | C25 | C27 | O30 | 88.2° | 180.0° |
| C25 | C24 | H15 | H16 | 119.5° | 120.0° |
| C24 | C25 | C26 | H17 | 147.2° | 180.0° |
| C24 | C25 | C26 | H18 | 27.8° | 59.9° |
| C24 | C25 | C27 | H19 | 31.8° | 60.0° |
| C24 | C25 | C27 | H20 | 151.8° | 59.9° |
| C24 | C25 | N28 | H21 | 180.0° | 176.0° |
| C24 | C25 | N28 | H22 | 60.0° | 60.0° |
| C26 | C25 | N28 | C27 | 119.6° | 120.0° |
| C26 | C25 | C27 | O30 | 33.8° | 59.9° |
| C26 | C25 | C24 | H15 | 96.4° | 55.0° |
| C26 | C25 | C24 | H16 | 143.9° | 175.0° |
| C25 | C26 | H17 | H18 | 119.2° | 120.1° |
| C26 | C25 | C27 | H19 | 153.8° | 60.0° |
| C26 | C25 | C27 | H20 | 86.2° | 180.0° |
| C26 | C25 | N28 | H21 | 58.3° | 56.1° |
| C26 | C25 | N28 | H22 | 178.3° | 180.0° |
| C25 | C26 | O29 | H24 | 180.0° | 180.0° |
| N28 | C25 | C27 | O30 | 153.7° | 60.1° |
| N28 | C25 | C24 | H15 | 142.5° | 175.0° |
| N28 | C25 | C24 | H16 | 22.8° | 65.0° |
| N28 | C25 | C26 | H17 | 92.6° | 60.0° |
| N28 | C25 | C26 | H18 | 147.9° | 60.0° |
| N28 | C25 | C27 | H19 | 86.3° | 180.0° |
| N28 | C25 | C27 | H20 | 33.7° | 60.0° |
| C25 | N28 | H21 | H22 | 120.0° | 124.0° |
| C25 | C27 | O30 | H19 | 120.0° | 119.9° |
| C25 | C27 | O30 | H20 | 120.0° | 120.1° |
| C27 | C25 | C24 | H15 | 24.7° | 65.0° |
| C27 | C25 | C24 | H16 | 95.0° | 55.0° |
| C27 | C25 | C26 | H17 | 26.1° | 60.0° |
| C27 | C25 | C26 | H18 | 93.3° | 180.0° |
| C25 | C27 | H19 | H20 | 120.0° | 120.0° |
| C27 | C25 | N28 | H21 | 61.3° | 64.0° |
| C27 | C25 | N28 | H22 | 58.7° | 59.9° |
| C25 | C27 | O30 | H25 | 180.0° | 179.9° |
| O30 | C27 | H19 | H20 | 120.1° | 120.1° |
| H1 | C2 | C3 | H2 | 1.3° | 0.1° |
| H6 | C13 | C14 | H7 | 59.9° | 60.0° |
| H6 | C13 | C14 | H8 | 60.2° | 60.0° |
| H6 | C13 | C14 | H9 | 179.9° | 180.0° |
| H6 | C13 | O15 | H10 | 60.8° | 60.0° |
| H7 | C14 | H8 | H9 | 120.0° | 120.0° |
| H11 | C18 | C19 | H12 | 0.0° | 0.0° |
| H13 | C21 | C22 | H14 | 0.0° | 0.1° |
| H17 | C26 | O29 | H24 | 59.7° | 60.0° |
| H18 | C26 | O29 | H24 | 59.7° | 60.0° |
| H19 | C27 | O30 | H25 | 60.0° | 60.0° |
| H20 | C27 | O30 | H25 | 60.0° | 60.0° |
