65Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C9 | sing | 1.74Å | 1.75Å | |
| C8 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C8 | C11 | sing | 1.36Å | 1.36Å | Aromatic |
| C9 | C10 | sing | 1.36Å | 1.36Å | Aromatic |
| C11 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C13 | doub | 1.40Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.42Å | 1.43Å | Aromatic |
| C12 | N16 | sing | 1.34Å | 1.37Å | Aromatic |
| C13 | C7 | sing | 1.42Å | 1.42Å | Aromatic |
| N16 | C15 | doub | 1.31Å | 1.36Å | Aromatic |
| C7 | C6 | sing | 1.48Å | 1.44Å | |
| C7 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.36Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.43Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.35Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C17 | sing | 1.51Å | 1.49Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C14 | C19 | sing | 1.47Å | 1.48Å | |
| C4 | C24 | sing | 1.51Å | 1.51Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | C26 | sing | 1.53Å | 1.49Å | |
| C23 | C17 | sing | 1.53Å | 1.51Å | |
| C17 | C22 | sing | 1.53Å | 1.48Å | |
| C19 | O21 | doub | 1.22Å | 1.25Å | |
| C19 | O20 | sing | 1.35Å | 1.26Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.08Å | 1.08Å | |
| C2 | H18 | sing | 1.08Å | 1.08Å | |
| C3 | H19 | sing | 1.08Å | 1.08Å | |
| C5 | H20 | sing | 1.08Å | 1.08Å | |
| C8 | H21 | sing | 1.08Å | 1.08Å | |
| O20 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C9 | C8 | 119.2° | 119.6° |
| CL1 | C9 | C10 | 117.5° | 119.6° |
| C9 | C8 | C11 | 118.7° | 121.0° |
| C8 | C9 | C10 | 123.3° | 120.8° |
| C9 | C8 | H21 | 120.6° | 119.5° |
| C8 | C11 | C12 | 119.6° | 119.8° |
| C8 | C11 | H2 | 120.2° | 120.1° |
| C11 | C8 | H21 | 120.6° | 119.5° |
| C9 | C10 | C13 | 119.9° | 119.6° |
| C9 | C10 | H1 | 120.1° | 120.2° |
| C11 | C12 | C13 | 120.7° | 119.0° |
| C11 | C12 | N16 | 118.5° | 120.8° |
| C12 | C11 | H2 | 120.2° | 120.1° |
| C10 | C13 | C12 | 117.8° | 119.8° |
| C10 | C13 | C7 | 123.8° | 121.2° |
| C13 | C10 | H1 | 120.1° | 120.2° |
| C13 | C12 | N16 | 120.7° | 120.2° |
| C12 | C13 | C7 | 118.4° | 119.0° |
| C12 | N16 | C15 | 120.4° | 122.1° |
| C13 | C7 | C6 | 119.2° | 121.2° |
| C13 | C7 | C14 | 119.0° | 117.7° |
| N16 | C15 | C14 | 120.6° | 121.7° |
| N16 | C15 | C17 | 118.0° | 119.2° |
| C6 | C7 | C14 | 121.8° | 121.1° |
| C7 | C6 | C1 | 120.6° | 120.2° |
| C7 | C6 | C5 | 123.9° | 120.2° |
| C7 | C14 | C15 | 120.8° | 119.3° |
| C7 | C14 | C19 | 117.0° | 120.4° |
| C6 | C1 | C2 | 122.5° | 119.9° |
| C1 | C6 | C5 | 115.5° | 119.7° |
| C6 | C1 | H17 | 118.7° | 120.1° |
| C1 | C2 | C3 | 121.6° | 120.1° |
| C2 | C1 | H17 | 118.8° | 120.0° |
| C1 | C2 | H18 | 119.2° | 119.9° |
| C6 | C5 | C4 | 121.5° | 119.9° |
| C6 | C5 | H20 | 119.3° | 120.1° |
| C2 | C3 | C4 | 119.7° | 120.3° |
| C3 | C2 | H18 | 119.2° | 120.0° |
| C2 | C3 | H19 | 120.2° | 119.9° |
| C14 | C15 | C17 | 121.3° | 119.2° |
| C15 | C14 | C19 | 122.2° | 120.3° |
| C15 | C17 | C23 | 106.9° | 109.5° |
| C15 | C17 | C22 | 115.2° | 109.5° |
| C15 | C17 | H3 | 107.9° | 109.5° |
| C5 | C4 | C3 | 119.3° | 120.1° |
| C5 | C4 | C24 | 122.0° | 120.0° |
| C4 | C5 | H20 | 119.3° | 120.0° |
| C3 | C4 | C24 | 118.7° | 119.9° |
| C4 | C3 | H19 | 120.2° | 119.9° |
| C14 | C19 | O21 | 120.7° | 120.0° |
| C14 | C19 | O20 | 118.1° | 120.0° |
| C4 | C24 | C25 | 112.9° | 109.5° |
| C4 | C24 | C26 | 109.9° | 109.5° |
| C4 | C24 | H10 | 108.7° | 109.5° |
| C25 | C24 | C26 | 107.9° | 109.4° |
| C25 | C24 | H10 | 108.5° | 109.5° |
| C24 | C25 | H11 | 109.5° | 109.5° |
| C24 | C25 | H12 | 109.5° | 109.5° |
| C24 | C25 | H13 | 109.4° | 109.5° |
| C26 | C24 | H10 | 108.8° | 109.5° |
| C24 | C26 | H14 | 109.5° | 109.5° |
| C24 | C26 | H15 | 109.4° | 109.5° |
| C24 | C26 | H16 | 109.4° | 109.5° |
| C23 | C17 | C22 | 110.7° | 109.4° |
| C23 | C17 | H3 | 107.8° | 109.4° |
| C17 | C23 | H7 | 109.5° | 109.5° |
| C17 | C23 | H8 | 109.5° | 109.5° |
| C17 | C23 | H9 | 109.5° | 109.5° |
| C22 | C17 | H3 | 108.1° | 109.5° |
| C17 | C22 | H4 | 109.5° | 109.5° |
| C17 | C22 | H5 | 109.5° | 109.5° |
| C17 | C22 | H6 | 109.5° | 109.5° |
| O21 | C19 | O20 | 121.1° | 120.0° |
| C19 | O20 | H22 | 109.5° | 117.0° |
| H4 | C22 | H5 | 109.5° | 109.5° |
| H4 | C22 | H6 | 109.5° | 109.5° |
| H5 | C22 | H6 | 109.4° | 109.4° |
| H7 | C23 | H8 | 109.5° | 109.5° |
| H7 | C23 | H9 | 109.4° | 109.4° |
| H8 | C23 | H9 | 109.5° | 109.5° |
| H11 | C25 | H12 | 109.4° | 109.5° |
| H11 | C25 | H13 | 109.5° | 109.4° |
| H12 | C25 | H13 | 109.5° | 109.5° |
| H14 | C26 | H15 | 109.5° | 109.4° |
| H14 | C26 | H16 | 109.5° | 109.5° |
| H15 | C26 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C9 | C8 | C10 | 178.1° | 180.0° |
| CL1 | C9 | C8 | C11 | 178.1° | 179.5° |
| CL1 | C9 | C10 | C13 | 179.1° | 180.0° |
| CL1 | C9 | C10 | H1 | 0.9° | 0.3° |
| CL1 | C9 | C8 | H21 | 1.9° | 0.1° |
| C9 | C8 | C11 | H21 | 180.0° | 179.4° |
| C9 | C8 | C11 | C12 | 1.4° | 0.8° |
| C8 | C9 | C10 | C13 | 0.9° | 0.0° |
| C8 | C9 | C10 | H1 | 179.0° | 179.7° |
| C9 | C8 | C11 | H2 | 178.6° | 179.7° |
| C11 | C8 | C9 | C10 | 0.0° | 0.5° |
| C8 | C11 | C12 | H2 | 180.0° | 179.5° |
| C8 | C11 | C12 | C13 | 1.9° | 0.5° |
| C8 | C11 | C12 | N16 | 179.9° | 180.0° |
| C9 | C10 | C13 | H1 | 180.0° | 179.7° |
| C9 | C10 | C13 | C12 | 0.5° | 0.3° |
| C9 | C10 | C13 | C7 | 179.4° | 179.7° |
| C10 | C9 | C8 | H21 | 180.0° | 179.9° |
| C11 | C12 | C13 | C10 | 0.9° | 0.0° |
| C11 | C12 | C13 | N16 | 177.9° | 179.5° |
| C11 | C12 | C13 | C7 | 178.1° | 180.0° |
| C11 | C12 | N16 | C15 | 176.3° | 179.4° |
| C12 | C11 | C8 | H21 | 178.6° | 179.8° |
| C10 | C13 | C12 | C7 | 179.0° | 180.0° |
| C10 | C13 | C12 | N16 | 178.8° | 179.5° |
| C10 | C13 | C7 | C6 | 0.3° | 0.1° |
| C10 | C13 | C7 | C14 | 178.5° | 180.0° |
| C13 | C12 | N16 | C15 | 1.7° | 1.1° |
| C12 | C13 | C7 | C6 | 179.2° | 180.0° |
| C12 | C13 | C7 | C14 | 0.5° | 0.0° |
| C12 | C13 | C10 | H1 | 179.5° | 180.0° |
| C13 | C12 | C11 | H2 | 178.1° | 180.0° |
| N16 | C12 | C13 | C7 | 0.2° | 0.5° |
| C12 | N16 | C15 | C14 | 3.2° | 1.1° |
| C12 | N16 | C15 | C17 | 177.1° | 179.5° |
| N16 | C12 | C11 | H2 | 0.1° | 0.5° |
| C13 | C7 | C6 | C14 | 178.7° | 180.0° |
| C13 | C7 | C6 | C1 | 76.9° | 115.0° |
| C13 | C7 | C6 | C5 | 103.0° | 65.0° |
| C13 | C7 | C14 | C15 | 1.0° | 0.1° |
| C13 | C7 | C14 | C19 | 179.4° | 179.4° |
| C7 | C13 | C10 | H1 | 0.6° | 0.0° |
| N16 | C15 | C14 | C7 | 2.9° | 0.6° |
| N16 | C15 | C14 | C17 | 179.6° | 179.4° |
| N16 | C15 | C14 | C19 | 177.5° | 180.0° |
| N16 | C15 | C17 | C23 | 66.2° | 59.4° |
| N16 | C15 | C17 | C22 | 57.3° | 60.5° |
| N16 | C15 | C17 | H3 | 178.1° | 179.4° |
| C7 | C6 | C1 | C5 | 179.9° | 180.0° |
| C7 | C6 | C1 | C2 | 178.8° | 180.0° |
| C6 | C7 | C14 | C15 | 177.7° | 179.9° |
| C7 | C6 | C5 | C4 | 179.5° | 179.9° |
| C6 | C7 | C14 | C19 | 1.9° | 0.5° |
| C7 | C6 | C1 | H17 | 1.2° | 0.3° |
| C7 | C6 | C5 | H20 | 0.5° | 0.1° |
| C14 | C7 | C6 | C1 | 101.8° | 65.0° |
| C14 | C7 | C6 | C5 | 78.3° | 115.0° |
| C7 | C14 | C15 | C19 | 179.6° | 179.4° |
| C7 | C14 | C15 | C17 | 177.5° | 180.0° |
| C7 | C14 | C19 | O21 | 85.7° | 90.6° |
| C7 | C14 | C19 | O20 | 90.6° | 89.4° |
| C6 | C1 | C2 | H17 | 180.0° | 179.6° |
| C6 | C1 | C2 | C3 | 1.3° | 0.1° |
| C1 | C6 | C5 | C4 | 0.4° | 0.0° |
| C6 | C1 | C2 | H18 | 178.7° | 180.0° |
| C1 | C6 | C5 | H20 | 179.6° | 179.9° |
| C2 | C1 | C6 | C5 | 1.1° | 0.1° |
| C1 | C2 | C3 | H18 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.7° | 0.0° |
| C1 | C2 | C3 | H19 | 179.4° | 179.9° |
| C6 | C5 | C4 | H20 | 180.0° | 179.8° |
| C6 | C5 | C4 | C3 | 0.1° | 0.1° |
| C6 | C5 | C4 | C24 | 178.8° | 179.9° |
| C5 | C6 | C1 | H17 | 178.9° | 179.7° |
| C2 | C3 | C4 | C5 | 0.0° | 0.1° |
| C2 | C3 | C4 | H19 | 180.0° | 179.9° |
| C2 | C3 | C4 | C24 | 178.9° | 180.0° |
| C3 | C2 | C1 | H17 | 178.7° | 179.7° |
| C14 | C15 | C17 | C23 | 114.1° | 120.0° |
| C14 | C15 | C17 | C22 | 122.4° | 120.1° |
| C15 | C14 | C19 | O21 | 93.9° | 90.0° |
| C15 | C14 | C19 | O20 | 89.8° | 89.9° |
| C14 | C15 | C17 | H3 | 1.5° | 0.0° |
| C17 | C15 | C14 | C19 | 2.1° | 0.6° |
| C15 | C17 | C23 | C22 | 126.2° | 120.0° |
| C15 | C17 | C23 | H3 | 115.8° | 120.0° |
| C15 | C17 | C22 | H3 | 120.8° | 120.1° |
| C15 | C17 | C22 | H4 | 180.0° | 60.0° |
| C15 | C17 | C22 | H5 | 60.0° | 180.0° |
| C15 | C17 | C22 | H6 | 60.0° | 60.0° |
| C15 | C17 | C23 | H7 | 180.0° | 180.0° |
| C15 | C17 | C23 | H8 | 60.0° | 60.0° |
| C15 | C17 | C23 | H9 | 60.0° | 60.1° |
| C5 | C4 | C3 | C24 | 179.0° | 179.9° |
| C5 | C4 | C24 | C25 | 19.2° | 120.0° |
| C5 | C4 | C24 | C26 | 101.3° | 120.0° |
| C5 | C4 | C24 | H10 | 139.7° | 0.0° |
| C5 | C4 | C3 | H19 | 180.0° | 180.0° |
| C3 | C4 | C24 | C25 | 161.8° | 60.0° |
| C3 | C4 | C24 | C26 | 77.6° | 60.0° |
| C3 | C4 | C24 | H10 | 41.4° | 179.9° |
| C4 | C3 | C2 | H18 | 179.3° | 179.9° |
| C3 | C4 | C5 | H20 | 179.9° | 180.0° |
| C14 | C19 | O21 | O20 | 176.2° | 180.0° |
| C14 | C19 | O20 | H22 | 176.3° | 180.0° |
| C4 | C24 | C25 | C26 | 121.7° | 120.0° |
| C4 | C24 | C25 | H10 | 120.6° | 120.0° |
| C4 | C24 | C26 | H10 | 118.9° | 120.0° |
| C4 | C24 | C25 | H11 | 180.0° | 180.0° |
| C4 | C24 | C25 | H12 | 60.0° | 60.0° |
| C4 | C24 | C25 | H13 | 60.0° | 60.0° |
| C4 | C24 | C26 | H14 | 180.0° | 60.0° |
| C4 | C24 | C26 | H15 | 60.0° | 60.0° |
| C4 | C24 | C26 | H16 | 60.0° | 180.0° |
| C24 | C4 | C3 | H19 | 1.1° | 0.1° |
| C24 | C4 | C5 | H20 | 1.2° | 0.1° |
| C25 | C24 | C26 | H10 | 117.6° | 120.0° |
| C24 | C25 | H11 | H12 | 120.0° | 120.1° |
| C24 | C25 | H11 | H13 | 120.0° | 120.0° |
| C24 | C25 | H12 | H13 | 120.0° | 120.0° |
| C25 | C24 | C26 | H14 | 56.5° | 60.0° |
| C25 | C24 | C26 | H15 | 63.5° | 180.0° |
| C25 | C24 | C26 | H16 | 176.5° | 60.0° |
| C26 | C24 | C25 | H11 | 58.4° | 60.0° |
| C26 | C24 | C25 | H12 | 178.3° | 180.0° |
| C26 | C24 | C25 | H13 | 61.7° | 60.0° |
| C24 | C26 | H14 | H15 | 120.0° | 120.0° |
| C24 | C26 | H14 | H16 | 120.0° | 120.0° |
| C24 | C26 | H15 | H16 | 120.0° | 120.0° |
| C23 | C17 | C22 | H3 | 117.8° | 120.0° |
| C23 | C17 | C22 | H4 | 58.6° | 60.0° |
| C23 | C17 | C22 | H5 | 178.6° | 60.0° |
| C23 | C17 | C22 | H6 | 61.4° | 180.0° |
| C17 | C23 | H7 | H8 | 120.0° | 120.0° |
| C17 | C23 | H7 | H9 | 120.0° | 120.0° |
| C17 | C23 | H8 | H9 | 120.0° | 120.1° |
| C17 | C22 | H4 | H5 | 120.0° | 120.0° |
| C17 | C22 | H4 | H6 | 120.0° | 120.0° |
| C17 | C22 | H5 | H6 | 120.0° | 120.0° |
| C22 | C17 | C23 | H7 | 53.8° | 60.0° |
| C22 | C17 | C23 | H8 | 66.2° | 60.0° |
| C22 | C17 | C23 | H9 | 173.8° | 180.0° |
| O21 | C19 | O20 | H22 | 0.0° | 0.0° |
| H2 | C11 | C8 | H21 | 1.4° | 0.3° |
| H3 | C17 | C22 | H4 | 59.2° | 180.0° |
| H3 | C17 | C22 | H5 | 60.8° | 59.9° |
| H3 | C17 | C22 | H6 | 179.3° | 60.0° |
| H3 | C17 | C23 | H7 | 64.2° | 60.0° |
| H3 | C17 | C23 | H8 | 175.8° | 180.0° |
| H3 | C17 | C23 | H9 | 55.8° | 60.0° |
| H4 | C22 | H5 | H6 | 120.0° | 120.0° |
| H7 | C23 | H8 | H9 | 120.0° | 119.9° |
| H10 | C24 | C25 | H11 | 59.4° | 60.0° |
| H10 | C24 | C25 | H12 | 60.5° | 60.0° |
| H10 | C24 | C25 | H13 | 179.4° | 180.0° |
| H10 | C24 | C26 | H14 | 61.1° | 180.0° |
| H10 | C24 | C26 | H15 | 178.9° | 60.0° |
| H10 | C24 | C26 | H16 | 58.9° | 60.0° |
| H11 | C25 | H12 | H13 | 120.0° | 119.9° |
| H14 | C26 | H15 | H16 | 120.0° | 120.0° |
| H17 | C1 | C2 | H18 | 1.3° | 0.4° |
| H18 | C2 | C3 | H19 | 0.7° | 0.0° |
