YC1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C23 | doub | 1.38Å | 1.52Å | Aromatic |
| C21 | C18 | sing | 1.38Å | 1.52Å | Aromatic |
| C23 | C20 | sing | 1.38Å | 1.52Å | Aromatic |
| C18 | C11 | doub | 1.38Å | 1.51Å | Aromatic |
| C20 | C17 | doub | 1.38Å | 1.53Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.49Å | Aromatic |
| C13 | C10 | sing | 1.38Å | 1.50Å | Aromatic |
| C14 | C12 | sing | 1.37Å | 1.51Å | Aromatic |
| C10 | C05 | doub | 1.39Å | 1.58Å | Aromatic |
| C11 | C17 | sing | 1.38Å | 1.52Å | Aromatic |
| C11 | C08 | sing | 1.51Å | 1.53Å | |
| C12 | C06 | doub | 1.40Å | 1.57Å | Aromatic |
| C05 | C06 | sing | 1.41Å | 1.39Å | Aromatic |
| C05 | N03 | sing | 1.37Å | 1.35Å | Aromatic |
| C06 | C07 | sing | 1.47Å | 1.39Å | Aromatic |
| N03 | C08 | sing | 1.46Å | 1.46Å | |
| N03 | N04 | sing | 1.40Å | 1.42Å | Aromatic |
| O01 | C16 | sing | 1.34Å | 1.37Å | Aromatic |
| O01 | C09 | sing | 1.35Å | 1.36Å | Aromatic |
| C22 | C16 | sing | 1.51Å | 1.53Å | |
| C22 | O02 | sing | 1.43Å | 1.40Å | |
| C07 | C09 | sing | 1.48Å | 1.54Å | |
| C07 | N04 | doub | 1.31Å | 1.36Å | Aromatic |
| C16 | C19 | doub | 1.35Å | 1.38Å | Aromatic |
| C09 | C15 | doub | 1.36Å | 1.38Å | Aromatic |
| C19 | C15 | sing | 1.41Å | 1.36Å | Aromatic |
| C08 | H1 | sing | 1.09Å | 1.10Å | |
| C08 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å | |
| O02 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C21 | C18 | 120.5° | 120.0° |
| C21 | C23 | C20 | 119.2° | 120.0° |
| C23 | C21 | H12 | 119.7° | 120.0° |
| C21 | C23 | H15 | 120.4° | 120.0° |
| C21 | C18 | C11 | 120.6° | 120.0° |
| C21 | C18 | H9 | 119.7° | 120.0° |
| C18 | C21 | H12 | 119.8° | 120.0° |
| C23 | C20 | C17 | 119.9° | 120.0° |
| C23 | C20 | H11 | 120.1° | 120.0° |
| C20 | C23 | H15 | 120.4° | 120.0° |
| C18 | C11 | C17 | 118.9° | 120.0° |
| C18 | C11 | C08 | 119.8° | 120.0° |
| C11 | C18 | H9 | 119.7° | 120.0° |
| C20 | C17 | C11 | 120.8° | 120.0° |
| C20 | C17 | H8 | 119.6° | 120.0° |
| C17 | C20 | H11 | 120.0° | 120.0° |
| C14 | C13 | C10 | 119.7° | 120.6° |
| C13 | C14 | C12 | 120.2° | 120.6° |
| C14 | C13 | H5 | 120.2° | 119.7° |
| C13 | C14 | H6 | 119.9° | 119.6° |
| C13 | C10 | C05 | 119.8° | 119.8° |
| C13 | C10 | H3 | 120.1° | 120.1° |
| C10 | C13 | H5 | 120.2° | 119.7° |
| C14 | C12 | C06 | 119.7° | 119.8° |
| C14 | C12 | H4 | 120.1° | 120.1° |
| C12 | C14 | H6 | 119.9° | 119.8° |
| C10 | C05 | C06 | 120.5° | 119.4° |
| C10 | C05 | N03 | 131.5° | 133.6° |
| C05 | C10 | H3 | 120.1° | 120.1° |
| C17 | C11 | C08 | 121.3° | 120.0° |
| C11 | C17 | H8 | 119.6° | 120.0° |
| C11 | C08 | N03 | 110.8° | 109.5° |
| C11 | C08 | H1 | 109.1° | 109.5° |
| C11 | C08 | H2 | 109.1° | 109.5° |
| C12 | C06 | C05 | 120.2° | 119.9° |
| C12 | C06 | C07 | 131.1° | 133.9° |
| C06 | C12 | H4 | 120.1° | 120.1° |
| C06 | C05 | N03 | 108.1° | 107.0° |
| C05 | C06 | C07 | 108.7° | 106.3° |
| C05 | N03 | C08 | 125.9° | 125.4° |
| C05 | N03 | N04 | 107.4° | 109.3° |
| C06 | C07 | C09 | 124.7° | 126.2° |
| C06 | C07 | N04 | 107.0° | 107.5° |
| C08 | N03 | N04 | 126.7° | 125.3° |
| N03 | C08 | H1 | 109.1° | 109.5° |
| N03 | C08 | H2 | 109.1° | 109.5° |
| N03 | N04 | C07 | 108.8° | 109.9° |
| C16 | O01 | C09 | 109.7° | 109.5° |
| O01 | C16 | C22 | 126.5° | 125.7° |
| O01 | C16 | C19 | 107.1° | 108.6° |
| O01 | C09 | C07 | 124.8° | 125.9° |
| O01 | C09 | C15 | 106.6° | 108.1° |
| C16 | C22 | O02 | 109.4° | 109.5° |
| C22 | C16 | C19 | 126.4° | 125.6° |
| C16 | C22 | H13 | 109.5° | 109.5° |
| C16 | C22 | H14 | 109.5° | 109.5° |
| O02 | C22 | H13 | 109.5° | 109.5° |
| O02 | C22 | H14 | 109.5° | 109.4° |
| C22 | O02 | H16 | 109.5° | 114.0° |
| C09 | C07 | N04 | 128.2° | 126.2° |
| C07 | C09 | C15 | 128.6° | 125.9° |
| C16 | C19 | C15 | 107.8° | 107.1° |
| C16 | C19 | H10 | 126.1° | 126.5° |
| C09 | C15 | C19 | 108.8° | 106.7° |
| C09 | C15 | H7 | 125.6° | 126.7° |
| C19 | C15 | H7 | 125.6° | 126.6° |
| C15 | C19 | H10 | 126.1° | 126.4° |
| H1 | C08 | H2 | 109.5° | 109.4° |
| H13 | C22 | H14 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C21 | C18 | H12 | 180.0° | 179.0° |
| C21 | C23 | C20 | H15 | 180.0° | 179.0° |
| C23 | C21 | C18 | C11 | 0.3° | 0.7° |
| C21 | C23 | C20 | C17 | 0.0° | 0.6° |
| C23 | C21 | C18 | H9 | 179.7° | 179.4° |
| C21 | C23 | C20 | H11 | 180.0° | 179.4° |
| C18 | C21 | C23 | C20 | 0.1° | 1.0° |
| C21 | C18 | C11 | H9 | 180.0° | 180.0° |
| C21 | C18 | C11 | C17 | 0.4° | NaN° |
| C21 | C18 | C11 | C08 | 179.7° | 179.7° |
| C18 | C21 | C23 | H15 | 179.9° | 180.0° |
| C23 | C20 | C17 | H11 | 180.0° | 180.0° |
| C23 | C20 | C17 | C11 | 0.0° | 0.0° |
| C23 | C20 | C17 | H8 | 180.0° | 180.0° |
| C20 | C23 | C21 | H12 | 179.8° | 180.0° |
| C18 | C11 | C17 | C20 | 0.2° | 0.3° |
| C18 | C11 | C17 | C08 | 179.9° | 179.7° |
| C18 | C11 | C08 | N03 | 70.7° | 90.3° |
| C18 | C11 | C08 | H1 | 169.1° | 29.8° |
| C18 | C11 | C08 | H2 | 49.5° | 149.7° |
| C18 | C11 | C17 | H8 | 179.8° | 179.7° |
| C11 | C18 | C21 | H12 | 179.6° | 179.7° |
| C20 | C17 | C11 | H8 | 180.0° | 179.9° |
| C20 | C17 | C11 | C08 | 179.9° | 179.9° |
| C17 | C20 | C23 | H15 | 179.9° | 179.7° |
| C14 | C13 | C10 | H5 | 180.0° | 179.3° |
| C13 | C14 | C12 | H6 | 180.0° | 179.3° |
| C14 | C13 | C10 | C05 | 0.0° | 0.5° |
| C13 | C14 | C12 | C06 | 0.2° | 0.5° |
| C14 | C13 | C10 | H3 | 179.9° | 179.6° |
| C13 | C14 | C12 | H4 | 179.8° | 179.6° |
| C10 | C13 | C14 | C12 | 0.2° | 0.7° |
| C13 | C10 | C05 | H3 | 180.0° | 180.0° |
| C13 | C10 | C05 | C06 | 0.1° | 0.0° |
| C13 | C10 | C05 | N03 | 179.9° | 179.7° |
| C10 | C13 | C14 | H6 | 179.8° | 180.0° |
| C14 | C12 | C06 | H4 | 180.0° | 179.9° |
| C14 | C12 | C06 | C05 | 0.0° | 0.1° |
| C14 | C12 | C06 | C07 | 179.6° | 180.0° |
| C12 | C14 | C13 | H5 | 179.8° | 180.0° |
| C10 | C05 | C06 | C12 | 0.2° | 0.2° |
| C10 | C05 | C06 | N03 | 179.8° | 179.8° |
| C10 | C05 | C06 | C07 | 179.5° | 179.8° |
| C10 | C05 | N03 | C08 | 0.0° | 0.3° |
| C10 | C05 | N03 | N04 | 179.6° | 179.7° |
| C05 | C10 | C13 | H5 | 180.0° | 179.8° |
| C17 | C11 | C08 | N03 | 109.2° | 90.0° |
| C17 | C11 | C08 | H1 | 11.0° | 149.9° |
| C17 | C11 | C08 | H2 | 130.6° | 30.0° |
| C17 | C11 | C18 | H9 | 179.6° | 180.0° |
| C11 | C17 | C20 | H11 | 180.0° | 180.0° |
| C11 | C08 | N03 | C05 | 96.4° | 90.0° |
| C11 | C08 | N03 | H1 | 120.2° | 120.0° |
| C11 | C08 | N03 | H2 | 120.2° | 120.0° |
| C11 | C08 | N03 | N04 | 83.9° | 90.0° |
| C11 | C08 | H1 | H2 | 119.4° | 119.9° |
| C08 | C11 | C17 | H8 | 0.1° | 0.0° |
| C08 | C11 | C18 | H9 | 0.2° | 0.2° |
| C12 | C06 | C05 | C07 | 179.7° | 179.9° |
| C12 | C06 | C05 | N03 | 180.0° | 180.0° |
| C12 | C06 | C07 | C09 | 1.6° | 0.1° |
| C12 | C06 | C07 | N04 | 180.0° | 179.9° |
| C06 | C12 | C14 | H6 | 179.8° | 179.8° |
| C06 | C05 | N03 | C08 | 179.8° | 180.0° |
| C06 | C05 | N03 | N04 | 0.1° | 0.0° |
| C05 | C06 | C07 | C09 | 178.7° | 180.0° |
| C05 | C06 | C07 | N04 | 0.3° | 0.0° |
| C06 | C05 | C10 | H3 | 179.9° | 180.0° |
| C05 | C06 | C12 | H4 | 180.0° | 180.0° |
| N03 | C05 | C06 | C07 | 0.3° | 0.0° |
| C05 | N03 | C08 | N04 | 179.6° | 180.0° |
| C05 | N03 | N04 | C07 | 0.1° | 0.0° |
| C05 | N03 | C08 | H1 | 143.4° | 30.0° |
| C05 | N03 | C08 | H2 | 23.8° | 150.0° |
| N03 | C05 | C10 | H3 | 0.1° | 0.3° |
| C06 | C07 | N04 | N03 | 0.2° | 0.0° |
| C06 | C07 | C09 | O01 | 127.1° | 35.3° |
| C06 | C07 | C09 | N04 | 178.1° | 179.9° |
| C06 | C07 | C09 | C15 | 50.4° | 145.0° |
| C07 | C06 | C12 | H4 | 0.4° | 0.1° |
| C08 | N03 | N04 | C07 | 179.6° | 180.0° |
| N03 | C08 | H1 | H2 | 119.4° | 120.0° |
| N03 | N04 | C07 | C09 | 178.6° | 179.9° |
| N04 | N03 | C08 | H1 | 36.2° | 150.0° |
| N04 | N03 | C08 | H2 | 155.9° | 30.0° |
| O01 | C16 | C22 | C19 | 179.6° | 179.7° |
| O01 | C16 | C22 | O02 | 84.5° | 89.7° |
| C16 | O01 | C09 | C07 | 178.5° | 179.9° |
| C16 | O01 | C09 | C15 | 0.5° | 0.5° |
| O01 | C16 | C19 | C15 | 0.3° | 0.2° |
| O01 | C16 | C19 | H10 | 179.7° | 180.0° |
| O01 | C16 | C22 | H13 | 155.5° | 30.4° |
| O01 | C16 | C22 | H14 | 35.5° | 150.3° |
| C09 | O01 | C16 | C22 | 179.6° | 179.9° |
| O01 | C09 | C07 | C15 | 177.5° | 179.6° |
| O01 | C09 | C07 | N04 | 51.0° | 144.7° |
| C09 | O01 | C16 | C19 | 0.1° | 0.4° |
| O01 | C09 | C15 | C19 | 0.8° | 0.3° |
| O01 | C09 | C15 | H7 | 179.2° | 179.8° |
| C16 | C22 | O02 | H13 | 120.0° | 120.0° |
| C16 | C22 | O02 | H14 | 120.0° | 120.0° |
| C22 | C16 | C19 | C15 | 180.0° | 179.9° |
| C22 | C16 | C19 | H10 | 0.0° | 0.3° |
| C16 | C22 | H13 | H14 | 120.0° | 120.0° |
| C16 | C22 | O02 | H16 | 180.0° | 180.0° |
| O02 | C22 | C16 | C19 | 95.1° | 90.0° |
| O02 | C22 | H13 | H14 | 120.0° | 120.0° |
| C07 | C09 | C15 | C19 | 178.6° | 180.0° |
| C07 | C09 | C15 | H7 | 1.4° | 0.1° |
| N04 | C07 | C09 | C15 | 131.5° | 34.9° |
| C16 | C19 | C15 | C09 | 0.7° | 0.0° |
| C16 | C19 | C15 | H10 | 180.0° | 179.8° |
| C16 | C19 | C15 | H7 | 179.3° | 179.9° |
| C19 | C16 | C22 | H13 | 24.9° | 150.0° |
| C19 | C16 | C22 | H14 | 144.9° | 30.0° |
| C09 | C15 | C19 | H7 | 180.0° | 179.9° |
| C09 | C15 | C19 | H10 | 179.3° | 179.7° |
| H3 | C10 | C13 | H5 | 0.1° | 0.2° |
| H4 | C12 | C14 | H6 | 0.2° | 0.2° |
| H5 | C13 | C14 | H6 | 0.2° | 0.6° |
| H7 | C15 | C19 | H10 | 0.7° | 0.2° |
| H8 | C17 | C20 | H11 | 0.0° | 0.0° |
| H9 | C18 | C21 | H12 | 0.4° | 0.4° |
| H11 | C20 | C23 | H15 | 0.1° | 0.4° |
| H12 | C21 | C23 | H15 | 0.1° | 1.0° |
| H13 | C22 | O02 | H16 | 60.0° | 59.9° |
| H14 | C22 | O02 | H16 | 60.0° | 60.0° |
