05Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | N21 | doub | 1.32Å | 1.32Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| N21 | C20 | sing | 1.32Å | 1.32Å | Aromatic |
| C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.52Å | |
| C20 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| N10 | C11 | sing | 1.36Å | 1.34Å | Aromatic |
| N10 | C09 | doub | 1.31Å | 1.32Å | Aromatic |
| N08 | C09 | sing | 1.38Å | 1.45Å | |
| N08 | C07 | sing | 1.35Å | 1.46Å | |
| C12 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C16 | sing | 1.40Å | 1.38Å | Aromatic |
| C09 | N17 | sing | 1.36Å | 1.33Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| N17 | C16 | sing | 1.38Å | 1.34Å | Aromatic |
| N17 | C18 | sing | 1.47Å | 1.46Å | |
| C16 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| O26 | C07 | doub | 1.21Å | 1.19Å | |
| C07 | C06 | sing | 1.51Å | 1.53Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C05 | H1 | sing | 1.09Å | 1.10Å | |
| C05 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å | |
| N08 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N21 | C22 | C23 | 119.9° | 120.7° |
| C22 | N21 | C20 | 121.2° | 121.7° |
| N21 | C22 | H14 | 120.1° | 119.7° |
| C22 | C23 | C24 | 120.8° | 119.2° |
| C23 | C22 | H14 | 120.1° | 119.6° |
| C22 | C23 | H15 | 119.6° | 120.4° |
| N21 | C20 | C19 | 120.8° | 119.6° |
| N21 | C20 | C25 | 122.0° | 120.8° |
| C23 | C24 | C25 | 117.6° | 118.4° |
| C24 | C23 | H15 | 119.6° | 120.4° |
| C23 | C24 | H16 | 121.2° | 120.8° |
| C19 | C20 | C25 | 117.2° | 119.6° |
| C20 | C19 | C18 | 109.2° | 109.5° |
| C20 | C19 | H12 | 109.5° | 109.5° |
| C20 | C19 | H13 | 109.5° | 109.4° |
| C20 | C25 | C24 | 118.5° | 119.2° |
| C20 | C25 | H17 | 120.7° | 120.4° |
| C25 | C24 | H16 | 121.2° | 120.8° |
| C24 | C25 | H17 | 120.7° | 120.4° |
| C19 | C18 | N17 | 113.7° | 109.5° |
| C19 | C18 | H10 | 108.4° | 109.5° |
| C19 | C18 | H11 | 108.4° | 109.5° |
| C18 | C19 | H12 | 109.6° | 109.5° |
| C18 | C19 | H13 | 109.5° | 109.5° |
| C11 | N10 | C09 | 108.0° | 109.6° |
| N10 | C11 | C12 | 133.1° | 133.4° |
| N10 | C11 | C16 | 107.2° | 107.1° |
| N10 | C09 | N08 | 125.8° | 125.0° |
| N10 | C09 | N17 | 109.7° | 109.9° |
| C09 | N08 | C07 | 122.5° | 120.0° |
| N08 | C09 | N17 | 124.5° | 125.1° |
| C09 | N08 | H18 | 118.7° | 120.0° |
| N08 | C07 | O26 | 119.8° | 120.0° |
| N08 | C07 | C06 | 122.3° | 120.0° |
| C07 | N08 | H18 | 118.8° | 120.0° |
| C11 | C12 | C13 | 119.8° | 119.8° |
| C12 | C11 | C16 | 119.7° | 119.5° |
| C11 | C12 | H6 | 120.1° | 120.1° |
| C12 | C13 | C14 | 120.5° | 120.5° |
| C13 | C12 | H6 | 120.1° | 120.1° |
| C12 | C13 | H7 | 119.7° | 119.7° |
| C11 | C16 | N17 | 107.2° | 106.1° |
| C11 | C16 | C15 | 120.5° | 120.0° |
| C09 | N17 | C16 | 108.0° | 107.3° |
| C09 | N17 | C18 | 128.8° | 126.4° |
| C13 | C14 | C15 | 119.7° | 120.4° |
| C14 | C13 | H7 | 119.7° | 119.7° |
| C13 | C14 | H8 | 120.1° | 119.8° |
| C16 | N17 | C18 | 123.1° | 126.4° |
| N17 | C16 | C15 | 132.3° | 133.9° |
| N17 | C18 | H10 | 108.4° | 109.5° |
| N17 | C18 | H11 | 108.4° | 109.5° |
| C16 | C15 | C14 | 119.8° | 119.8° |
| C16 | C15 | H9 | 120.1° | 120.1° |
| C15 | C14 | H8 | 120.2° | 119.8° |
| C14 | C15 | H9 | 120.1° | 120.1° |
| O26 | C07 | C06 | 117.9° | 120.0° |
| C07 | C06 | C05 | 109.9° | 109.5° |
| C07 | C06 | H4 | 109.4° | 109.4° |
| C07 | C06 | H5 | 109.4° | 109.5° |
| C06 | C05 | H1 | 109.5° | 109.5° |
| C06 | C05 | H2 | 109.5° | 109.5° |
| C06 | C05 | H3 | 109.5° | 109.4° |
| C05 | C06 | H4 | 109.4° | 109.5° |
| C05 | C06 | H5 | 109.4° | 109.4° |
| H1 | C05 | H2 | 109.5° | 109.5° |
| H1 | C05 | H3 | 109.5° | 109.5° |
| H2 | C05 | H3 | 109.5° | 109.5° |
| H4 | C06 | H5 | 109.5° | 109.5° |
| H10 | C18 | H11 | 109.5° | 109.5° |
| H12 | C19 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N21 | C22 | C23 | H14 | 180.0° | 179.9° |
| N21 | C22 | C23 | C24 | 0.8° | 0.3° |
| C22 | N21 | C20 | C19 | 179.2° | 179.9° |
| C22 | N21 | C20 | C25 | 0.0° | 0.1° |
| N21 | C22 | C23 | H15 | 179.2° | 179.9° |
| C23 | C22 | N21 | C20 | 0.6° | 0.1° |
| C22 | C23 | C24 | H15 | 180.0° | 179.8° |
| C22 | C23 | C24 | C25 | 0.4° | 0.3° |
| C22 | C23 | C24 | H16 | 179.6° | 180.0° |
| N21 | C20 | C19 | C25 | 179.2° | 179.8° |
| N21 | C20 | C25 | C24 | 0.4° | 0.2° |
| N21 | C20 | C19 | C18 | 114.5° | 55.2° |
| N21 | C20 | C19 | H12 | 5.5° | 175.2° |
| N21 | C20 | C19 | H13 | 125.5° | 64.8° |
| C20 | N21 | C22 | H14 | 179.4° | 180.0° |
| N21 | C20 | C25 | H17 | 179.5° | 179.8° |
| C23 | C24 | C25 | C20 | 0.2° | 0.0° |
| C23 | C24 | C25 | H16 | 180.0° | 179.7° |
| C24 | C23 | C22 | H14 | 179.2° | 179.7° |
| C23 | C24 | C25 | H17 | 179.8° | 180.0° |
| C19 | C20 | C25 | C24 | 179.7° | 180.0° |
| C20 | C19 | C18 | H12 | 120.0° | 120.0° |
| C20 | C19 | C18 | H13 | 120.0° | 120.0° |
| C20 | C19 | C18 | N17 | 79.0° | 180.0° |
| C20 | C19 | C18 | H10 | 160.4° | 60.0° |
| C20 | C19 | C18 | H11 | 41.6° | 60.0° |
| C20 | C19 | H12 | H13 | 120.1° | 120.0° |
| C19 | C20 | C25 | H17 | 0.3° | 0.0° |
| C20 | C25 | C24 | H17 | 180.0° | 180.0° |
| C25 | C20 | C19 | C18 | 64.7° | 125.0° |
| C25 | C20 | C19 | H12 | 175.3° | 5.0° |
| C25 | C20 | C19 | H13 | 55.3° | 115.0° |
| C20 | C25 | C24 | H16 | 179.8° | 179.8° |
| C25 | C24 | C23 | H15 | 179.6° | 179.9° |
| C19 | C18 | N17 | C09 | 87.2° | 90.0° |
| C19 | C18 | N17 | C16 | 96.7° | 90.0° |
| C19 | C18 | N17 | H10 | 120.6° | 120.0° |
| C19 | C18 | N17 | H11 | 120.6° | 120.0° |
| C19 | C18 | H10 | H11 | 118.1° | 120.0° |
| C18 | C19 | H12 | H13 | 120.1° | 120.0° |
| C11 | N10 | C09 | N08 | 179.8° | 179.8° |
| N10 | C11 | C12 | C16 | 179.8° | 179.6° |
| N10 | C11 | C12 | C13 | 179.5° | 179.6° |
| C11 | N10 | C09 | N17 | 1.5° | 0.0° |
| N10 | C11 | C16 | N17 | 0.8° | 0.3° |
| N10 | C11 | C16 | C15 | 179.6° | 179.6° |
| N10 | C11 | C12 | H6 | 0.5° | 0.3° |
| N10 | C09 | N08 | N17 | 178.1° | 179.7° |
| N10 | C09 | N08 | C07 | 53.0° | 0.3° |
| C09 | N10 | C11 | C12 | 179.7° | 179.9° |
| C09 | N10 | C11 | C16 | 0.4° | 0.2° |
| N10 | C09 | N17 | C16 | 2.0° | 0.3° |
| N10 | C09 | N17 | C18 | 178.6° | 179.8° |
| N10 | C09 | N08 | H18 | 127.1° | 179.7° |
| C09 | N08 | C07 | H18 | 180.0° | 180.0° |
| N08 | C09 | N17 | C16 | 179.6° | 180.0° |
| N08 | C09 | N17 | C18 | 3.1° | 0.1° |
| C09 | N08 | C07 | O26 | 179.5° | 0.0° |
| C09 | N08 | C07 | C06 | 4.1° | 180.0° |
| C07 | N08 | C09 | N17 | 129.0° | 180.0° |
| N08 | C07 | O26 | C06 | 176.6° | 180.0° |
| N08 | C07 | C06 | C05 | 105.7° | 180.0° |
| N08 | C07 | C06 | H4 | 14.4° | 60.0° |
| N08 | C07 | C06 | H5 | 134.3° | 60.0° |
| C11 | C12 | C13 | H6 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.2° | 0.0° |
| C12 | C11 | C16 | N17 | 179.1° | 179.9° |
| C12 | C11 | C16 | C15 | 0.3° | 0.1° |
| C11 | C12 | C13 | H7 | 179.8° | 179.9° |
| C13 | C12 | C11 | C16 | 0.3° | 0.1° |
| C12 | C13 | C14 | H7 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.1° | 0.0° |
| C12 | C13 | C14 | H8 | 179.9° | 180.0° |
| C11 | C16 | N17 | C09 | 1.7° | 0.4° |
| C11 | C16 | N17 | C15 | 178.6° | 180.0° |
| C11 | C16 | N17 | C18 | 178.5° | 179.7° |
| C11 | C16 | C15 | C14 | 0.2° | 0.1° |
| C16 | C11 | C12 | H6 | 179.7° | 180.0° |
| C11 | C16 | C15 | H9 | 179.8° | 179.9° |
| C09 | N17 | C16 | C18 | 176.8° | 180.0° |
| C09 | N17 | C16 | C15 | 179.7° | 179.6° |
| C09 | N17 | C18 | H10 | 152.2° | 30.0° |
| C09 | N17 | C18 | H11 | 33.4° | 150.0° |
| N17 | C09 | N08 | H18 | 51.0° | 0.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C13 | C14 | C15 | H8 | 180.0° | 180.0° |
| C14 | C13 | C12 | H6 | 179.8° | 179.9° |
| C13 | C14 | C15 | H9 | 179.9° | 180.0° |
| N17 | C16 | C15 | C14 | 178.6° | 180.0° |
| N17 | C16 | C15 | H9 | 1.4° | 0.0° |
| C16 | N17 | C18 | H10 | 23.9° | 150.0° |
| C16 | N17 | C18 | H11 | 142.7° | 30.0° |
| C18 | N17 | C16 | C15 | 2.9° | 0.4° |
| N17 | C18 | H10 | H11 | 118.1° | 120.0° |
| N17 | C18 | C19 | H12 | 41.0° | 60.0° |
| N17 | C18 | C19 | H13 | 161.0° | 60.0° |
| C16 | C15 | C14 | H9 | 180.0° | 180.0° |
| C16 | C15 | C14 | H8 | 179.9° | 180.0° |
| C15 | C14 | C13 | H7 | 179.9° | 180.0° |
| O26 | C07 | C06 | C05 | 70.9° | 0.0° |
| O26 | C07 | C06 | H4 | 169.1° | 120.0° |
| O26 | C07 | C06 | H5 | 49.2° | 120.0° |
| O26 | C07 | N08 | H18 | 0.5° | 180.0° |
| C07 | C06 | C05 | H4 | 120.1° | 120.0° |
| C07 | C06 | C05 | H5 | 120.0° | 120.0° |
| C07 | C06 | C05 | H1 | 180.0° | 60.0° |
| C07 | C06 | C05 | H2 | 60.0° | 180.0° |
| C07 | C06 | C05 | H3 | 60.0° | 60.0° |
| C07 | C06 | H4 | H5 | 119.8° | 120.0° |
| C06 | C07 | N08 | H18 | 176.0° | 0.0° |
| C06 | C05 | H1 | H2 | 120.0° | 120.0° |
| C06 | C05 | H1 | H3 | 120.0° | 120.0° |
| C06 | C05 | H2 | H3 | 120.0° | 119.9° |
| C05 | C06 | H4 | H5 | 119.8° | 120.0° |
| H1 | C05 | H2 | H3 | 120.0° | 120.0° |
| H1 | C05 | C06 | H4 | 59.9° | 180.0° |
| H1 | C05 | C06 | H5 | 59.9° | 60.0° |
| H2 | C05 | C06 | H4 | 180.0° | 60.0° |
| H2 | C05 | C06 | H5 | 60.1° | 60.0° |
| H3 | C05 | C06 | H4 | 60.1° | 59.9° |
| H3 | C05 | C06 | H5 | 180.0° | NaN° |
| H6 | C12 | C13 | H7 | 0.2° | 0.0° |
| H7 | C13 | C14 | H8 | 0.1° | 0.0° |
| H8 | C14 | C15 | H9 | 0.1° | 0.0° |
| H10 | C18 | C19 | H12 | 79.6° | 60.0° |
| H10 | C18 | C19 | H13 | 40.4° | 180.0° |
| H11 | C18 | C19 | H12 | 161.6° | 180.0° |
| H11 | C18 | C19 | H13 | 78.4° | 60.0° |
| H14 | C22 | C23 | H15 | 0.8° | 0.1° |
| H15 | C23 | C24 | H16 | 0.4° | 0.2° |
| H16 | C24 | C25 | H17 | 0.2° | 0.3° |
