56Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N17 | C15 | sing | 1.35Å | 1.41Å | |
| O16 | C15 | doub | 1.22Å | 1.24Å | |
| C15 | C10 | sing | 1.48Å | 1.51Å | |
| C10 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | N10 | sing | 1.47Å | 1.47Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C5 | sing | 1.51Å | 1.50Å | |
| C6 | C11 | sing | 1.51Å | 1.51Å | |
| C6 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | N10 | sing | 1.47Å | 1.47Å | |
| N10 | C8 | sing | 1.35Å | 1.35Å | |
| N6 | C5 | sing | 1.34Å | 1.35Å | Aromatic |
| N6 | C7 | sing | 1.38Å | 1.35Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.47Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.47Å | 1.51Å | |
| C7 | C3 | doub | 1.36Å | 1.49Å | Aromatic |
| C8 | O9 | doub | 1.22Å | 1.22Å | |
| C4 | C27 | sing | 1.47Å | 1.48Å | |
| C4 | C3 | sing | 1.42Å | 1.39Å | Aromatic |
| O28 | C27 | doub | 1.21Å | 1.22Å | |
| C27 | C29 | sing | 1.51Å | 1.51Å | |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C29 | H14 | sing | 1.09Å | 1.10Å | |
| N6 | H15 | sing | 0.97Å | 1.00Å | |
| C9 | H16 | sing | 1.08Å | 1.08Å | |
| C12 | H17 | sing | 1.08Å | 1.08Å | |
| C13 | H18 | sing | 1.08Å | 1.08Å | |
| N17 | H19 | sing | 0.97Å | 1.00Å | |
| N17 | H20 | sing | 0.97Å | 1.00Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N17 | C15 | O16 | 119.5° | 120.0° |
| N17 | C15 | C10 | 118.0° | 119.9° |
| C15 | N17 | H19 | 120.0° | 120.1° |
| C15 | N17 | H20 | 120.0° | 119.9° |
| O16 | C15 | C10 | 122.5° | 120.0° |
| C15 | C10 | C9 | 119.9° | 120.1° |
| C15 | C10 | C12 | 121.1° | 120.2° |
| C9 | C10 | C12 | 119.0° | 119.7° |
| C10 | C9 | C6 | 121.4° | 119.8° |
| C10 | C9 | H16 | 119.3° | 120.0° |
| C10 | C12 | C13 | 120.1° | 119.9° |
| C10 | C12 | H17 | 120.0° | 120.1° |
| C9 | C6 | C11 | 119.0° | 119.9° |
| C9 | C6 | C14 | 119.7° | 120.1° |
| C6 | C9 | H16 | 119.3° | 120.1° |
| C16 | N10 | C11 | 113.9° | 120.0° |
| C16 | N10 | C8 | 123.2° | 120.0° |
| N10 | C16 | H21 | 109.5° | 109.4° |
| N10 | C16 | H22 | 109.5° | 109.5° |
| N10 | C16 | H23 | 109.5° | 109.4° |
| C12 | C13 | C14 | 120.5° | 120.1° |
| C13 | C12 | H17 | 120.0° | 120.1° |
| C12 | C13 | H18 | 119.7° | 120.0° |
| C26 | C5 | N6 | 124.9° | 125.8° |
| C26 | C5 | C4 | 128.3° | 125.8° |
| C5 | C26 | H9 | 109.5° | 109.5° |
| C5 | C26 | H10 | 109.5° | 109.5° |
| C5 | C26 | H11 | 109.5° | 109.4° |
| C11 | C6 | C14 | 121.3° | 119.9° |
| C6 | C11 | N10 | 109.9° | 109.5° |
| C6 | C11 | H6 | 109.4° | 109.4° |
| C6 | C11 | H7 | 109.4° | 109.5° |
| C6 | C14 | C13 | 119.5° | 120.3° |
| C6 | C14 | H8 | 120.3° | 119.8° |
| C11 | N10 | C8 | 123.0° | 120.0° |
| N10 | C11 | H6 | 109.4° | 109.5° |
| N10 | C11 | H7 | 109.4° | 109.5° |
| N10 | C8 | C7 | 117.7° | 120.0° |
| N10 | C8 | O9 | 120.8° | 120.0° |
| C5 | N6 | C7 | 110.7° | 109.3° |
| N6 | C5 | C4 | 106.8° | 108.4° |
| C5 | N6 | H15 | 124.7° | 125.4° |
| N6 | C7 | C8 | 126.3° | 125.8° |
| N6 | C7 | C3 | 110.0° | 108.4° |
| C7 | N6 | H15 | 124.7° | 125.3° |
| C5 | C4 | C27 | 121.1° | 126.5° |
| C5 | C4 | C3 | 109.6° | 106.9° |
| C13 | C14 | H8 | 120.2° | 119.9° |
| C14 | C13 | H18 | 119.8° | 119.9° |
| C8 | C7 | C3 | 123.7° | 125.8° |
| C7 | C8 | O9 | 121.5° | 120.0° |
| C7 | C3 | C4 | 103.0° | 107.0° |
| C7 | C3 | C2 | 126.5° | 126.5° |
| C27 | C4 | C3 | 129.3° | 126.5° |
| C4 | C27 | O28 | 119.1° | 120.0° |
| C4 | C27 | C29 | 117.1° | 120.0° |
| C4 | C3 | C2 | 130.5° | 126.5° |
| O28 | C27 | C29 | 123.8° | 120.0° |
| C27 | C29 | H12 | 109.5° | 109.5° |
| C27 | C29 | H13 | 109.5° | 109.5° |
| C27 | C29 | H14 | 109.4° | 109.5° |
| C3 | C2 | C1 | 109.1° | 109.5° |
| C3 | C2 | H4 | 109.6° | 109.5° |
| C3 | C2 | H5 | 109.6° | 109.4° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 109.6° | 109.5° |
| C1 | C2 | H5 | 109.5° | 109.4° |
| H1 | C1 | H2 | 109.4° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.4° | 109.5° |
| H9 | C26 | H10 | 109.4° | 109.5° |
| H9 | C26 | H11 | 109.5° | 109.5° |
| H10 | C26 | H11 | 109.4° | 109.5° |
| H12 | C29 | H13 | 109.4° | 109.4° |
| H12 | C29 | H14 | 109.5° | 109.5° |
| H13 | C29 | H14 | 109.5° | 109.5° |
| H19 | N17 | H20 | 120.0° | 120.0° |
| H21 | C16 | H22 | 109.5° | 109.5° |
| H21 | C16 | H23 | 109.4° | 109.5° |
| H22 | C16 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N17 | C15 | O16 | C10 | 178.7° | 180.0° |
| N17 | C15 | C10 | C9 | 26.9° | 180.0° |
| N17 | C15 | C10 | C12 | 151.2° | 0.0° |
| C15 | N17 | H19 | H20 | 180.0° | 180.0° |
| O16 | C15 | C10 | C9 | 154.5° | 0.0° |
| O16 | C15 | C10 | C12 | 27.4° | 180.0° |
| O16 | C15 | N17 | H19 | 0.0° | 180.0° |
| O16 | C15 | N17 | H20 | 180.0° | 0.0° |
| C15 | C10 | C9 | C12 | 178.1° | 180.0° |
| C15 | C10 | C9 | C6 | 179.1° | 180.0° |
| C15 | C10 | C12 | C13 | 179.0° | 179.7° |
| C15 | C10 | C9 | H16 | 0.9° | 0.0° |
| C15 | C10 | C12 | H17 | 1.0° | 0.0° |
| C10 | C15 | N17 | H19 | 178.7° | 0.1° |
| C10 | C15 | N17 | H20 | 1.3° | 180.0° |
| C10 | C9 | C6 | H16 | 180.0° | 179.9° |
| C9 | C10 | C12 | C13 | 0.9° | 0.2° |
| C10 | C9 | C6 | C11 | 179.7° | 180.0° |
| C10 | C9 | C6 | C14 | 0.5° | 0.3° |
| C9 | C10 | C12 | H17 | 179.2° | 180.0° |
| C12 | C10 | C9 | C6 | 1.0° | 0.0° |
| C10 | C12 | C13 | H17 | 180.0° | 179.8° |
| C10 | C12 | C13 | C14 | 0.3° | 0.2° |
| C12 | C10 | C9 | H16 | 179.0° | 179.9° |
| C10 | C12 | C13 | H18 | 179.7° | 180.0° |
| C9 | C6 | C11 | C14 | 179.2° | 179.7° |
| C9 | C6 | C11 | N10 | 97.5° | 90.3° |
| C9 | C6 | C14 | C13 | 0.1° | 0.3° |
| C9 | C6 | C11 | H6 | 142.4° | 29.7° |
| C9 | C6 | C11 | H7 | 22.5° | 149.7° |
| C9 | C6 | C14 | H8 | 179.9° | 179.8° |
| C16 | N10 | C11 | C6 | 71.5° | 90.0° |
| C16 | N10 | C11 | C8 | 179.2° | 180.0° |
| C16 | N10 | C8 | C7 | 18.9° | 4.9° |
| C16 | N10 | C8 | O9 | 161.1° | 175.1° |
| C16 | N10 | C11 | H6 | 168.4° | 150.0° |
| C16 | N10 | C11 | H7 | 48.6° | 30.0° |
| N10 | C16 | H21 | H22 | 120.0° | 120.0° |
| N10 | C16 | H21 | H23 | 120.0° | 119.9° |
| N10 | C16 | H22 | H23 | 120.0° | 120.0° |
| C12 | C13 | C14 | C6 | 0.2° | 0.1° |
| C12 | C13 | C14 | H18 | 180.0° | 179.8° |
| C12 | C13 | C14 | H8 | 179.8° | 180.0° |
| C26 | C5 | N6 | C4 | 179.1° | 180.0° |
| C26 | C5 | N6 | C7 | 179.4° | 179.8° |
| C26 | C5 | C4 | C27 | 0.1° | 0.0° |
| C26 | C5 | C4 | C3 | 178.7° | 180.0° |
| C5 | C26 | H9 | H10 | 120.0° | 120.0° |
| C5 | C26 | H9 | H11 | 120.0° | 119.9° |
| C5 | C26 | H10 | H11 | 120.0° | 120.0° |
| C26 | C5 | N6 | H15 | 0.7° | 0.0° |
| C6 | C11 | N10 | H6 | 120.1° | 120.0° |
| C6 | C11 | N10 | H7 | 120.1° | 120.0° |
| C6 | C11 | N10 | C8 | 107.7° | 90.0° |
| C11 | C6 | C14 | C13 | 179.1° | 180.0° |
| C6 | C11 | H6 | H7 | 119.8° | 120.0° |
| C11 | C6 | C14 | H8 | 0.9° | 0.1° |
| C11 | C6 | C9 | H16 | 0.3° | 0.0° |
| C14 | C6 | C11 | N10 | 81.6° | 90.0° |
| C6 | C14 | C13 | H8 | 180.0° | 179.9° |
| C14 | C6 | C11 | H6 | 38.4° | 150.0° |
| C14 | C6 | C11 | H7 | 158.3° | 30.0° |
| C14 | C6 | C9 | H16 | 179.5° | 179.7° |
| C6 | C14 | C13 | H18 | 179.8° | 179.7° |
| C11 | N10 | C8 | C7 | 161.9° | 175.1° |
| C11 | N10 | C8 | O9 | 18.1° | 4.9° |
| N10 | C11 | H6 | H7 | 119.8° | 120.0° |
| C11 | N10 | C16 | H21 | 180.0° | 95.2° |
| C11 | N10 | C16 | H22 | 60.0° | 144.8° |
| C11 | N10 | C16 | H23 | 60.0° | 24.8° |
| N10 | C8 | C7 | N6 | 45.3° | 102.9° |
| N10 | C8 | C7 | O9 | 180.0° | 180.0° |
| N10 | C8 | C7 | C3 | 131.9° | 77.2° |
| C8 | N10 | C11 | H6 | 12.3° | 30.0° |
| C8 | N10 | C11 | H7 | 132.2° | 150.0° |
| C8 | N10 | C16 | H21 | 0.7° | 84.8° |
| C8 | N10 | C16 | H22 | 120.8° | 35.2° |
| C8 | N10 | C16 | H23 | 119.2° | 155.2° |
| C5 | N6 | C7 | H15 | 180.0° | 179.8° |
| C5 | N6 | C7 | C8 | 178.3° | 179.8° |
| C5 | N6 | C7 | C3 | 0.8° | 0.4° |
| N6 | C5 | C4 | C27 | 178.9° | 180.0° |
| N6 | C5 | C4 | C3 | 0.3° | 0.0° |
| N6 | C5 | C26 | H9 | 89.5° | 85.0° |
| N6 | C5 | C26 | H10 | 150.5° | 35.0° |
| N6 | C5 | C26 | H11 | 30.5° | 155.0° |
| C7 | N6 | C5 | C4 | 0.3° | 0.2° |
| N6 | C7 | C8 | C3 | 177.2° | 179.8° |
| N6 | C7 | C8 | O9 | 134.7° | 77.1° |
| N6 | C7 | C3 | C4 | 0.9° | 0.4° |
| N6 | C7 | C3 | C2 | 178.7° | 179.9° |
| C5 | C4 | C3 | C7 | 0.7° | 0.2° |
| C5 | C4 | C27 | C3 | 178.2° | 180.0° |
| C5 | C4 | C27 | O28 | 26.1° | 85.1° |
| C5 | C4 | C27 | C29 | 151.6° | 95.0° |
| C5 | C4 | C3 | C2 | 178.4° | 180.0° |
| C4 | C5 | C26 | H9 | 89.4° | 94.9° |
| C4 | C5 | C26 | H10 | 30.6° | 145.0° |
| C4 | C5 | C26 | H11 | 150.6° | 25.0° |
| C4 | C5 | N6 | H15 | 179.8° | 180.0° |
| C14 | C13 | C12 | H17 | 179.7° | 180.0° |
| C8 | C7 | C3 | C4 | 178.5° | 179.8° |
| C8 | C7 | C3 | C2 | 3.7° | 0.1° |
| C8 | C7 | N6 | H15 | 1.8° | 0.0° |
| C3 | C7 | C8 | O9 | 48.1° | 102.7° |
| C7 | C3 | C4 | C27 | 179.1° | 179.8° |
| C7 | C3 | C4 | C2 | 177.7° | 179.7° |
| C7 | C3 | C2 | C1 | 103.2° | 90.3° |
| C7 | C3 | C2 | H4 | 136.8° | 149.7° |
| C7 | C3 | C2 | H5 | 16.7° | 29.7° |
| C3 | C7 | N6 | H15 | 179.3° | 179.8° |
| C4 | C27 | O28 | C29 | 177.5° | 180.0° |
| C27 | C4 | C3 | C2 | 3.2° | 0.1° |
| C4 | C27 | C29 | H12 | 177.5° | 5.0° |
| C4 | C27 | C29 | H13 | 57.6° | 125.0° |
| C4 | C27 | C29 | H14 | 62.4° | 115.0° |
| C3 | C4 | C27 | O28 | 155.7° | 94.9° |
| C3 | C4 | C27 | C29 | 26.7° | 85.1° |
| C4 | C3 | C2 | C1 | 74.0° | 90.0° |
| C4 | C3 | C2 | H4 | 46.0° | 30.0° |
| C4 | C3 | C2 | H5 | 166.1° | 150.0° |
| O28 | C27 | C29 | H12 | 0.0° | 175.0° |
| O28 | C27 | C29 | H13 | 120.0° | 55.0° |
| O28 | C27 | C29 | H14 | 120.0° | 65.0° |
| C27 | C29 | H12 | H13 | 120.0° | 120.0° |
| C27 | C29 | H12 | H14 | 120.0° | 120.0° |
| C27 | C29 | H13 | H14 | 120.0° | 120.0° |
| C3 | C2 | C1 | H4 | 119.9° | 120.0° |
| C3 | C2 | C1 | H5 | 119.9° | 120.0° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | H2 | 60.0° | 60.0° |
| C3 | C2 | C1 | H3 | 60.0° | 60.0° |
| C3 | C2 | H4 | H5 | 120.2° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.1° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 120.2° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 60.1° | 59.9° |
| H1 | C1 | C2 | H5 | 60.1° | 60.1° |
| H2 | C1 | C2 | H4 | 180.0° | 60.0° |
| H2 | C1 | C2 | H5 | 59.9° | 180.0° |
| H3 | C1 | C2 | H4 | 60.0° | 180.0° |
| H3 | C1 | C2 | H5 | 179.9° | 60.0° |
| H8 | C14 | C13 | H18 | 0.2° | 0.2° |
| H9 | C26 | H10 | H11 | 120.0° | 120.0° |
| H12 | C29 | H13 | H14 | 120.0° | 120.0° |
| H17 | C12 | C13 | H18 | 0.3° | 0.3° |
| H21 | C16 | H22 | H23 | 120.0° | 120.1° |
