8Y2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | N27 | sing | 1.32Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| O31 | S34 | doub | 1.42Å | 1.45Å | |
| N27 | C20 | doub | 1.32Å | 1.35Å | Aromatic |
| C5 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C23 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | S34 | sing | 1.81Å | 1.78Å | |
| C20 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | O32 | sing | 1.36Å | 1.40Å | |
| C15 | C16 | sing | 1.48Å | 1.45Å | |
| S34 | O30 | doub | 1.42Å | 1.45Å | |
| S34 | C19 | sing | 1.76Å | 1.78Å | |
| C25 | O32 | sing | 1.43Å | 1.43Å | |
| C25 | C18 | sing | 1.51Å | 1.49Å | |
| C10 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C12 | sing | 1.39Å | 1.42Å | Aromatic |
| C16 | C14 | doub | 1.35Å | 1.38Å | Aromatic |
| C6 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C21 | doub | 1.34Å | 1.38Å | Aromatic |
| C8 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | S33 | sing | 1.76Å | 1.72Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | S33 | sing | 1.76Å | 1.72Å | Aromatic |
| C21 | N28 | sing | 1.40Å | 1.38Å | |
| C17 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C24 | sing | 1.51Å | 1.49Å | |
| N28 | C22 | sing | 1.35Å | 1.38Å | |
| C22 | C24 | sing | 1.51Å | 1.50Å | |
| C22 | O29 | doub | 1.21Å | 1.22Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C4 | H14 | sing | 1.08Å | 1.08Å | |
| C5 | H15 | sing | 1.08Å | 1.08Å | |
| C6 | H16 | sing | 1.08Å | 1.08Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| N28 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C13 | N27 | 124.3° | 121.1° |
| C13 | C4 | C5 | 117.4° | 119.4° |
| C4 | C13 | H10 | 117.8° | 119.4° |
| C13 | C4 | H14 | 121.3° | 120.3° |
| C13 | N27 | C20 | 116.8° | 121.7° |
| N27 | C13 | H10 | 117.9° | 119.4° |
| C4 | C5 | C15 | 120.7° | 118.4° |
| C5 | C4 | H14 | 121.3° | 120.3° |
| C4 | C5 | H15 | 119.7° | 120.8° |
| O31 | S34 | C26 | 108.3° | 110.5° |
| O31 | S34 | O30 | 120.6° | 121.0° |
| O31 | S34 | C19 | 109.6° | 104.3° |
| N27 | C20 | C15 | 123.4° | 120.5° |
| N27 | C20 | O32 | 116.0° | 119.8° |
| C5 | C15 | C20 | 117.4° | 118.9° |
| C5 | C15 | C16 | 116.8° | 120.6° |
| C15 | C5 | H15 | 119.7° | 120.8° |
| C23 | C26 | S34 | 112.6° | 109.5° |
| C26 | C23 | H17 | 109.5° | 109.5° |
| C26 | C23 | H18 | 109.5° | 109.5° |
| C26 | C23 | H19 | 109.5° | 109.4° |
| C23 | C26 | H22 | 108.7° | 109.5° |
| C23 | C26 | H23 | 108.7° | 109.5° |
| C26 | S34 | O30 | 107.5° | 110.6° |
| C26 | S34 | C19 | 104.9° | 104.4° |
| S34 | C26 | H22 | 108.7° | 109.5° |
| S34 | C26 | H23 | 108.7° | 109.5° |
| C15 | C20 | O32 | 120.6° | 119.8° |
| C20 | C15 | C16 | 125.7° | 120.5° |
| C20 | O32 | C25 | 105.4° | 117.0° |
| C15 | C16 | C12 | 125.7° | 122.7° |
| C15 | C16 | C14 | 124.2° | 122.7° |
| O30 | S34 | C19 | 104.9° | 104.3° |
| S34 | C19 | C10 | 119.3° | 120.0° |
| S34 | C19 | C11 | 118.9° | 120.0° |
| O32 | C25 | C18 | 112.8° | 109.4° |
| O32 | C25 | H20 | 108.7° | 109.5° |
| O32 | C25 | H21 | 108.6° | 109.4° |
| C25 | C18 | C6 | 120.6° | 120.0° |
| C25 | C18 | C7 | 119.7° | 120.0° |
| C18 | C25 | H20 | 108.6° | 109.5° |
| C18 | C25 | H21 | 108.7° | 109.4° |
| C19 | C10 | C8 | 118.8° | 120.0° |
| C10 | C19 | C11 | 121.8° | 120.0° |
| C19 | C10 | H7 | 120.6° | 120.0° |
| C10 | C8 | C17 | 120.2° | 120.0° |
| C10 | C8 | H5 | 119.9° | 120.0° |
| C8 | C10 | H7 | 120.6° | 120.0° |
| C6 | C18 | C7 | 119.7° | 120.0° |
| C18 | C6 | C2 | 119.7° | 120.0° |
| C18 | C6 | H16 | 120.1° | 120.0° |
| C18 | C7 | C3 | 120.6° | 120.1° |
| C18 | C7 | H4 | 119.7° | 120.0° |
| C12 | C16 | C14 | 110.1° | 114.5° |
| C16 | C12 | C21 | 114.4° | 114.7° |
| C16 | C12 | H9 | 122.8° | 122.6° |
| C16 | C14 | S33 | 113.0° | 109.7° |
| C16 | C14 | H11 | 123.5° | 125.2° |
| C6 | C2 | C1 | 120.6° | 120.0° |
| C6 | C2 | H2 | 119.7° | 120.0° |
| C2 | C6 | H16 | 120.2° | 120.0° |
| C19 | C11 | C9 | 118.9° | 120.0° |
| C19 | C11 | H8 | 120.6° | 120.0° |
| C7 | C3 | C1 | 119.6° | 120.0° |
| C7 | C3 | H3 | 120.2° | 120.0° |
| C3 | C7 | H4 | 119.7° | 120.0° |
| C12 | C21 | S33 | 110.6° | 109.9° |
| C12 | C21 | N28 | 127.5° | 125.1° |
| C21 | C12 | H9 | 122.8° | 122.7° |
| C8 | C17 | C9 | 120.5° | 120.0° |
| C8 | C17 | C24 | 119.4° | 120.0° |
| C17 | C8 | H5 | 119.9° | 120.0° |
| C14 | S33 | C21 | 91.8° | 91.2° |
| S33 | C14 | H11 | 123.5° | 125.2° |
| C2 | C1 | C3 | 119.8° | 120.0° |
| C2 | C1 | H1 | 120.1° | 120.0° |
| C1 | C2 | H2 | 119.7° | 120.0° |
| C3 | C1 | H1 | 120.1° | 120.0° |
| C1 | C3 | H3 | 120.2° | 120.0° |
| C11 | C9 | C17 | 119.8° | 120.0° |
| C11 | C9 | H6 | 120.1° | 119.9° |
| C9 | C11 | H8 | 120.5° | 120.0° |
| S33 | C21 | N28 | 121.8° | 125.0° |
| C21 | N28 | C22 | 125.7° | 120.0° |
| C21 | N28 | H24 | 117.2° | 120.0° |
| C9 | C17 | C24 | 120.1° | 120.0° |
| C17 | C9 | H6 | 120.1° | 120.0° |
| C17 | C24 | C22 | 108.9° | 109.5° |
| C17 | C24 | H12 | 109.6° | 109.4° |
| C17 | C24 | H13 | 109.6° | 109.5° |
| N28 | C22 | C24 | 110.5° | 120.0° |
| N28 | C22 | O29 | 129.0° | 120.0° |
| C22 | N28 | H24 | 117.2° | 120.0° |
| C24 | C22 | O29 | 120.4° | 120.0° |
| C22 | C24 | H12 | 109.6° | 109.5° |
| C22 | C24 | H13 | 109.6° | 109.5° |
| H12 | C24 | H13 | 109.5° | 109.5° |
| H17 | C23 | H18 | 109.5° | 109.5° |
| H17 | C23 | H19 | 109.5° | 109.5° |
| H18 | C23 | H19 | 109.4° | 109.5° |
| H20 | C25 | H21 | 109.4° | 109.5° |
| H22 | C26 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C13 | N27 | H10 | 180.0° | 179.7° |
| C13 | C4 | C5 | H14 | 180.0° | 180.0° |
| C4 | C13 | N27 | C20 | 0.6° | 0.0° |
| C13 | C4 | C5 | C15 | 0.0° | 0.0° |
| C13 | C4 | C5 | H15 | 180.0° | 179.9° |
| N27 | C13 | C4 | C5 | 0.4° | 0.0° |
| C13 | N27 | C20 | C15 | 0.3° | 0.1° |
| C13 | N27 | C20 | O32 | 178.0° | 180.0° |
| N27 | C13 | C4 | H14 | 179.6° | 180.0° |
| C4 | C5 | C15 | H15 | 180.0° | 179.9° |
| C4 | C5 | C15 | C20 | 0.3° | 0.0° |
| C4 | C5 | C15 | C16 | 176.6° | 180.0° |
| C5 | C4 | C13 | H10 | 179.6° | 179.7° |
| O31 | S34 | C26 | C23 | 63.2° | 68.4° |
| O31 | S34 | C26 | O30 | 131.8° | 136.7° |
| O31 | S34 | C26 | C19 | 117.0° | 111.6° |
| O31 | S34 | O30 | C19 | 124.2° | 116.8° |
| O31 | S34 | C19 | C10 | 11.6° | 26.0° |
| O31 | S34 | C19 | C11 | 169.1° | 153.9° |
| O31 | S34 | C26 | H22 | 57.2° | 171.6° |
| O31 | S34 | C26 | H23 | 176.3° | 51.6° |
| N27 | C20 | C15 | C5 | 0.1° | 0.0° |
| N27 | C20 | C15 | O32 | 178.2° | 179.9° |
| N27 | C20 | C15 | C16 | 176.5° | 180.0° |
| N27 | C20 | O32 | C25 | 59.5° | 0.0° |
| C20 | N27 | C13 | H10 | 179.4° | 179.7° |
| C5 | C15 | C20 | C16 | 176.7° | 180.0° |
| C5 | C15 | C20 | O32 | 178.4° | 180.0° |
| C5 | C15 | C16 | C12 | 23.8° | 50.0° |
| C5 | C15 | C16 | C14 | 156.6° | 129.9° |
| C15 | C5 | C4 | H14 | 180.0° | 180.0° |
| C23 | C26 | S34 | H22 | 120.5° | 120.0° |
| C23 | C26 | S34 | H23 | 120.5° | 120.0° |
| C23 | C26 | S34 | O30 | 165.0° | 68.4° |
| C23 | C26 | S34 | C19 | 53.8° | 180.0° |
| C26 | C23 | H17 | H18 | 120.0° | 120.0° |
| C26 | C23 | H17 | H19 | 120.0° | 119.9° |
| C26 | C23 | H18 | H19 | 120.0° | 120.0° |
| C23 | C26 | H22 | H23 | 118.6° | 120.0° |
| C26 | S34 | O30 | C19 | 111.2° | 111.7° |
| C26 | S34 | C19 | C10 | 104.4° | 90.0° |
| C26 | S34 | C19 | C11 | 74.8° | 90.1° |
| S34 | C26 | C23 | H17 | 180.0° | 60.0° |
| S34 | C26 | C23 | H18 | 60.0° | 60.0° |
| S34 | C26 | C23 | H19 | 60.0° | 180.0° |
| S34 | C26 | H22 | H23 | 118.6° | 120.0° |
| C15 | C20 | O32 | C25 | 122.1° | 180.0° |
| C20 | C15 | C16 | C12 | 152.9° | 130.1° |
| C20 | C15 | C16 | C14 | 26.7° | 50.0° |
| C20 | C15 | C5 | H15 | 179.7° | 179.9° |
| O32 | C20 | C15 | C16 | 1.7° | 0.1° |
| C20 | O32 | C25 | C18 | 178.4° | 180.0° |
| C20 | O32 | C25 | H20 | 61.1° | 60.0° |
| C20 | O32 | C25 | H21 | 57.9° | 60.1° |
| C15 | C16 | C12 | C14 | 179.6° | 179.9° |
| C15 | C16 | C12 | C21 | 179.9° | 180.0° |
| C15 | C16 | C14 | S33 | 179.5° | 179.7° |
| C15 | C16 | C12 | H9 | 0.1° | 0.3° |
| C15 | C16 | C14 | H11 | 0.5° | 0.1° |
| C16 | C15 | C5 | H15 | 3.3° | 0.0° |
| O30 | S34 | C19 | C10 | 142.5° | 153.9° |
| O30 | S34 | C19 | C11 | 38.2° | 26.0° |
| O30 | S34 | C26 | H22 | 74.6° | 51.6° |
| O30 | S34 | C26 | H23 | 44.5° | 171.7° |
| S34 | C19 | C10 | C11 | 179.2° | 179.9° |
| S34 | C19 | C10 | C8 | 179.8° | 179.9° |
| S34 | C19 | C11 | C9 | 179.9° | 179.7° |
| S34 | C19 | C10 | H7 | 0.2° | 0.1° |
| S34 | C19 | C11 | H8 | 0.1° | 0.4° |
| C19 | S34 | C26 | H22 | 174.2° | 60.0° |
| C19 | S34 | C26 | H23 | 66.7° | 60.0° |
| O32 | C25 | C18 | H20 | 120.5° | 120.0° |
| O32 | C25 | C18 | H21 | 120.5° | 119.9° |
| O32 | C25 | C18 | C6 | 91.1° | 89.9° |
| O32 | C25 | C18 | C7 | 90.5° | 89.9° |
| O32 | C25 | H20 | H21 | 118.5° | 120.0° |
| C25 | C18 | C6 | C7 | 178.3° | 179.8° |
| C25 | C18 | C6 | C2 | 178.2° | 180.0° |
| C25 | C18 | C7 | C3 | 178.8° | 179.9° |
| C25 | C18 | C7 | H4 | 1.2° | 0.0° |
| C25 | C18 | C6 | H16 | 1.8° | 0.0° |
| C18 | C25 | H20 | H21 | 118.5° | 120.0° |
| C19 | C10 | C8 | H7 | 180.0° | 180.0° |
| C19 | C10 | C8 | C17 | 0.1° | 0.0° |
| C10 | C19 | C11 | C9 | 0.9° | 0.2° |
| C19 | C10 | C8 | H5 | 179.9° | 179.7° |
| C10 | C19 | C11 | H8 | 179.2° | 179.7° |
| C8 | C10 | C19 | C11 | 1.0° | 0.1° |
| C10 | C8 | C17 | H5 | 180.0° | 179.7° |
| C10 | C8 | C17 | C9 | 1.2° | 0.3° |
| C10 | C8 | C17 | C24 | 179.7° | 179.7° |
| C18 | C6 | C2 | H16 | 180.0° | 180.0° |
| C6 | C18 | C7 | C3 | 0.5° | 0.3° |
| C18 | C6 | C2 | C1 | 0.4° | 0.0° |
| C18 | C6 | C2 | H2 | 179.6° | 180.0° |
| C6 | C18 | C7 | H4 | 179.5° | 179.8° |
| C6 | C18 | C25 | H20 | 148.3° | 150.0° |
| C6 | C18 | C25 | H21 | 29.4° | 30.0° |
| C7 | C18 | C6 | C2 | 0.1° | 0.2° |
| C18 | C7 | C3 | H4 | 180.0° | 179.9° |
| C18 | C7 | C3 | C1 | 0.8° | 0.1° |
| C18 | C7 | C3 | H3 | 179.2° | 180.0° |
| C7 | C18 | C6 | H16 | 179.9° | 179.8° |
| C7 | C18 | C25 | H20 | 30.0° | 30.2° |
| C7 | C18 | C25 | H21 | 149.0° | 150.2° |
| C16 | C12 | C21 | H9 | 180.0° | 179.7° |
| C12 | C16 | C14 | S33 | 0.1° | 0.2° |
| C16 | C12 | C21 | S33 | 0.9° | 0.3° |
| C16 | C12 | C21 | N28 | 179.0° | 179.7° |
| C12 | C16 | C14 | H11 | 179.9° | 179.8° |
| C14 | C16 | C12 | C21 | 0.5° | 0.1° |
| C16 | C14 | S33 | H11 | 180.0° | 179.6° |
| C16 | C14 | S33 | C21 | 0.5° | 0.3° |
| C14 | C16 | C12 | H9 | 179.5° | 179.8° |
| C6 | C2 | C1 | H2 | 180.0° | 180.0° |
| C6 | C2 | C1 | C3 | 0.1° | 0.2° |
| C6 | C2 | C1 | H1 | 179.9° | 180.0° |
| C19 | C11 | C9 | H8 | 180.0° | 179.9° |
| C19 | C11 | C9 | C17 | 0.3° | 0.5° |
| C19 | C11 | C9 | H6 | 179.7° | 179.9° |
| C11 | C19 | C10 | H7 | 179.0° | 180.0° |
| C7 | C3 | C1 | C2 | 0.5° | 0.2° |
| C7 | C3 | C1 | H3 | 180.0° | 179.9° |
| C7 | C3 | C1 | H1 | 179.5° | 180.0° |
| C12 | C21 | S33 | C14 | 0.8° | 0.3° |
| C12 | C21 | S33 | N28 | 178.3° | 180.0° |
| C12 | C21 | N28 | C22 | 155.6° | 180.0° |
| C12 | C21 | N28 | H24 | 24.5° | 0.1° |
| C8 | C17 | C9 | C11 | 1.3° | 0.6° |
| C8 | C17 | C9 | C24 | 178.6° | 180.0° |
| C8 | C17 | C24 | C22 | 78.4° | 90.0° |
| C8 | C17 | C9 | H6 | 178.7° | 180.0° |
| C17 | C8 | C10 | H7 | 180.0° | 180.0° |
| C8 | C17 | C24 | H12 | 41.5° | 30.0° |
| C8 | C17 | C24 | H13 | 161.7° | 150.0° |
| C14 | S33 | C21 | N28 | 179.0° | 179.7° |
| C2 | C1 | C3 | H1 | 180.0° | 179.8° |
| C2 | C1 | C3 | H3 | 179.5° | 179.8° |
| C1 | C2 | C6 | H16 | 179.6° | 180.0° |
| C3 | C1 | C2 | H2 | 179.9° | 179.8° |
| C1 | C3 | C7 | H4 | 179.2° | 180.0° |
| C11 | C9 | C17 | H6 | 180.0° | 179.4° |
| C11 | C9 | C17 | C24 | 179.8° | 179.5° |
| S33 | C21 | N28 | C22 | 26.5° | 0.0° |
| S33 | C21 | C12 | H9 | 179.1° | 180.0° |
| C21 | S33 | C14 | H11 | 179.5° | 179.9° |
| S33 | C21 | N28 | H24 | 153.5° | 179.9° |
| C21 | N28 | C22 | H24 | 180.0° | 179.9° |
| C21 | N28 | C22 | C24 | 162.6° | 180.0° |
| C21 | N28 | C22 | O29 | 17.9° | 0.0° |
| N28 | C21 | C12 | H9 | 1.0° | 0.0° |
| C9 | C17 | C24 | C22 | 100.2° | 90.0° |
| C9 | C17 | C8 | H5 | 178.8° | 180.0° |
| C17 | C9 | C11 | H8 | 179.7° | 179.4° |
| C9 | C17 | C24 | H12 | 139.9° | 150.0° |
| C9 | C17 | C24 | H13 | 19.7° | 30.0° |
| C17 | C24 | C22 | N28 | 104.8° | 180.0° |
| C17 | C24 | C22 | H12 | 119.9° | 119.9° |
| C17 | C24 | C22 | H13 | 119.9° | 120.0° |
| C17 | C24 | C22 | O29 | 75.7° | 0.0° |
| C24 | C17 | C8 | H5 | 0.3° | 0.0° |
| C24 | C17 | C9 | H6 | 0.2° | 0.0° |
| C17 | C24 | H12 | H13 | 120.2° | 120.0° |
| N28 | C22 | C24 | O29 | 179.5° | 180.0° |
| N28 | C22 | C24 | H12 | 15.1° | 60.0° |
| N28 | C22 | C24 | H13 | 135.3° | 60.0° |
| C22 | C24 | H12 | H13 | 120.3° | 120.0° |
| C24 | C22 | N28 | H24 | 17.4° | 0.1° |
| O29 | C22 | C24 | H12 | 164.4° | 120.0° |
| O29 | C22 | C24 | H13 | 44.2° | 120.0° |
| O29 | C22 | N28 | H24 | 162.0° | 180.0° |
| H1 | C1 | C2 | H2 | 0.1° | 0.1° |
| H1 | C1 | C3 | H3 | 0.5° | 0.1° |
| H2 | C2 | C6 | H16 | 0.4° | 0.1° |
| H3 | C3 | C7 | H4 | 0.8° | 0.1° |
| H5 | C8 | C10 | H7 | 0.0° | 0.3° |
| H6 | C9 | C11 | H8 | 0.3° | 0.0° |
| H10 | C13 | C4 | H14 | 0.4° | 0.3° |
| H14 | C4 | C5 | H15 | 0.0° | 0.1° |
| H17 | C23 | H18 | H19 | 120.0° | 120.0° |
| H17 | C23 | C26 | H22 | 59.6° | 60.0° |
| H17 | C23 | C26 | H23 | 59.5° | NaN° |
| H18 | C23 | C26 | H22 | 60.5° | 180.0° |
| H18 | C23 | C26 | H23 | 179.6° | 60.0° |
| H19 | C23 | C26 | H22 | 179.6° | 60.0° |
| H19 | C23 | C26 | H23 | 60.5° | 60.0° |
