Y0L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | C12 | sing | 1.44Å | 1.43Å | |
| O13 | C08 | sing | 1.36Å | 1.47Å | |
| C12 | C11 | sing | 1.55Å | 1.48Å | |
| C07 | C08 | doub | 1.39Å | 1.41Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C09 | sing | 1.52Å | 1.48Å | |
| C06 | C05 | doub | 1.38Å | 1.40Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.51Å | 1.54Å | |
| O01 | C02 | doub | 1.22Å | 1.18Å | |
| C02 | C14 | sing | 1.48Å | 1.53Å | |
| C02 | N03 | sing | 1.35Å | 1.46Å | |
| C14 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | N03 | sing | 1.46Å | 1.46Å | |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C07 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| N03 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | O13 | C08 | 107.1° | 109.3° |
| O13 | C12 | C11 | 106.1° | 102.9° |
| O13 | C12 | H10 | 110.3° | 110.6° |
| O13 | C12 | H11 | 110.3° | 111.0° |
| O13 | C08 | C07 | 130.7° | 129.9° |
| O13 | C08 | C09 | 109.3° | 111.2° |
| C12 | C11 | C09 | 106.0° | 102.0° |
| C12 | C11 | H8 | 110.3° | 111.0° |
| C12 | C11 | H9 | 110.4° | 110.9° |
| C11 | C12 | H10 | 110.3° | 110.7° |
| C11 | C12 | H11 | 110.3° | 110.8° |
| C08 | C07 | C06 | 119.4° | 120.2° |
| C07 | C08 | C09 | 120.0° | 118.9° |
| C08 | C07 | H7 | 120.3° | 119.9° |
| C07 | C06 | C05 | 121.2° | 120.3° |
| C07 | C06 | H6 | 119.4° | 119.8° |
| C06 | C07 | H7 | 120.3° | 119.9° |
| C08 | C09 | C11 | 108.1° | 107.0° |
| C08 | C09 | C10 | 120.4° | 120.8° |
| C11 | C09 | C10 | 131.5° | 132.2° |
| C09 | C11 | H8 | 110.3° | 110.9° |
| C09 | C11 | H9 | 110.3° | 110.9° |
| C06 | C05 | C10 | 119.0° | 119.8° |
| C06 | C05 | C04 | 120.1° | 120.1° |
| C05 | C06 | H6 | 119.4° | 119.8° |
| C09 | C10 | C05 | 120.0° | 120.0° |
| C09 | C10 | H1 | 120.0° | 120.0° |
| C18 | C19 | C14 | 120.6° | 119.8° |
| C19 | C18 | C17 | 119.5° | 120.1° |
| C19 | C18 | H13 | 120.3° | 119.9° |
| C18 | C19 | H14 | 119.7° | 120.1° |
| C19 | C14 | C02 | 119.6° | 120.1° |
| C19 | C14 | C15 | 119.8° | 119.7° |
| C14 | C19 | H14 | 119.8° | 120.1° |
| C18 | C17 | C16 | 120.2° | 120.3° |
| C18 | C17 | H3 | 119.9° | 119.8° |
| C17 | C18 | H13 | 120.3° | 120.0° |
| C10 | C05 | C04 | 120.9° | 120.1° |
| C05 | C10 | H1 | 120.0° | 120.0° |
| C05 | C04 | N03 | 116.7° | 109.4° |
| C05 | C04 | H4 | 107.6° | 109.5° |
| C05 | C04 | H5 | 107.6° | 109.4° |
| O01 | C02 | C14 | 117.2° | 120.0° |
| O01 | C02 | N03 | 118.6° | 120.0° |
| C14 | C02 | N03 | 124.2° | 120.0° |
| C02 | C14 | C15 | 120.6° | 120.2° |
| C02 | N03 | C04 | 117.7° | 120.0° |
| C02 | N03 | H15 | 121.1° | 120.0° |
| C14 | C15 | C16 | 119.6° | 119.9° |
| C14 | C15 | H2 | 120.2° | 120.1° |
| C17 | C16 | C15 | 120.4° | 120.1° |
| C16 | C17 | H3 | 119.9° | 119.8° |
| C17 | C16 | H12 | 119.8° | 120.0° |
| N03 | C04 | H4 | 107.6° | 109.6° |
| N03 | C04 | H5 | 107.6° | 109.5° |
| C04 | N03 | H15 | 121.1° | 120.0° |
| C16 | C15 | H2 | 120.2° | 120.1° |
| C15 | C16 | H12 | 119.8° | 119.9° |
| H4 | C04 | H5 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 110.8° |
| H10 | C12 | H11 | 109.5° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C12 | C11 | H10 | 119.5° | 118.1° |
| O13 | C12 | C11 | H11 | 119.5° | 118.7° |
| C12 | O13 | C08 | C07 | 169.2° | 161.4° |
| C12 | O13 | C08 | C09 | 11.5° | 19.0° |
| O13 | C12 | C11 | C09 | 17.5° | 25.0° |
| O13 | C12 | C11 | H8 | 136.9° | 143.2° |
| O13 | C12 | C11 | H9 | 102.0° | 93.1° |
| O13 | C12 | H10 | H11 | 121.6° | 123.4° |
| C08 | O13 | C12 | C11 | 17.7° | 27.6° |
| O13 | C08 | C07 | C09 | 179.3° | 179.6° |
| O13 | C08 | C07 | C06 | 179.6° | 179.0° |
| O13 | C08 | C09 | C11 | 0.2° | 1.2° |
| O13 | C08 | C09 | C10 | 179.8° | 178.7° |
| O13 | C08 | C07 | H7 | 0.4° | 0.8° |
| C08 | O13 | C12 | H10 | 101.8° | 90.7° |
| C08 | O13 | C12 | H11 | 137.1° | 146.1° |
| C12 | C11 | C09 | C08 | 10.6° | 15.1° |
| C12 | C11 | C09 | H8 | 119.4° | 118.2° |
| C12 | C11 | C09 | H9 | 119.5° | 118.2° |
| C12 | C11 | C09 | C10 | 169.3° | 165.0° |
| C12 | C11 | H8 | H9 | 121.6° | 123.7° |
| C11 | C12 | H10 | H11 | 121.5° | 123.2° |
| C08 | C07 | C06 | H7 | 180.0° | 179.8° |
| C07 | C08 | C09 | C11 | 179.7° | 179.1° |
| C08 | C07 | C06 | C05 | 0.3° | 0.0° |
| C07 | C08 | C09 | C10 | 0.4° | 1.0° |
| C08 | C07 | C06 | H6 | 179.7° | 180.0° |
| C06 | C07 | C08 | C09 | 0.2° | 0.6° |
| C07 | C06 | C05 | H6 | 180.0° | 180.0° |
| C07 | C06 | C05 | C10 | 0.5° | 0.2° |
| C07 | C06 | C05 | C04 | 179.0° | 179.8° |
| C08 | C09 | C11 | C10 | 179.9° | 179.9° |
| C08 | C09 | C10 | C05 | 0.5° | 0.9° |
| C08 | C09 | C10 | H1 | 179.4° | 179.4° |
| C09 | C08 | C07 | H7 | 179.7° | 179.6° |
| C08 | C09 | C11 | H8 | 130.0° | 133.3° |
| C08 | C09 | C11 | H9 | 108.9° | 103.1° |
| C11 | C09 | C10 | C05 | 179.5° | 179.2° |
| C11 | C09 | C10 | H1 | 0.5° | 0.5° |
| C09 | C11 | H8 | H9 | 121.6° | 123.7° |
| C09 | C11 | C12 | H10 | 102.0° | 93.1° |
| C09 | C11 | C12 | H11 | 136.9° | 143.7° |
| C06 | C05 | C10 | C09 | 0.6° | 0.3° |
| C06 | C05 | C10 | C04 | 178.5° | 180.0° |
| C06 | C05 | C04 | N03 | 84.2° | 90.1° |
| C06 | C05 | C10 | H1 | 179.4° | 180.0° |
| C06 | C05 | C04 | H4 | 36.8° | 30.0° |
| C06 | C05 | C04 | H5 | 154.8° | 150.0° |
| C05 | C06 | C07 | H7 | 179.7° | 179.8° |
| C09 | C10 | C05 | H1 | 180.0° | 179.8° |
| C09 | C10 | C05 | C04 | 179.1° | 179.8° |
| C10 | C09 | C11 | H8 | 49.9° | 46.8° |
| C10 | C09 | C11 | H9 | 71.2° | 76.8° |
| C18 | C19 | C14 | H14 | 180.0° | 179.8° |
| C19 | C18 | C17 | H13 | 180.0° | 179.4° |
| C18 | C19 | C14 | C02 | 179.0° | 180.0° |
| C18 | C19 | C14 | C15 | 1.1° | 0.1° |
| C19 | C18 | C17 | C16 | 0.0° | 0.6° |
| C19 | C18 | C17 | H3 | 180.0° | 180.0° |
| C14 | C19 | C18 | C17 | 0.6° | 0.3° |
| C19 | C14 | C02 | O01 | 50.5° | 179.9° |
| C19 | C14 | C02 | C15 | 177.9° | 179.9° |
| C19 | C14 | C02 | N03 | 129.5° | 0.1° |
| C19 | C14 | C15 | C16 | 1.0° | 0.1° |
| C19 | C14 | C15 | H2 | 179.0° | 179.7° |
| C14 | C19 | C18 | H13 | 179.4° | 179.7° |
| C18 | C17 | C16 | H3 | 180.0° | 179.4° |
| C18 | C17 | C16 | C15 | 0.1° | 0.6° |
| C18 | C17 | C16 | H12 | 180.0° | 179.4° |
| C17 | C18 | C19 | H14 | 179.4° | 180.0° |
| C10 | C05 | C04 | N03 | 97.3° | 90.0° |
| C10 | C05 | C04 | H4 | 141.7° | 150.0° |
| C10 | C05 | C04 | H5 | 23.7° | 30.0° |
| C10 | C05 | C06 | H6 | 179.5° | 179.8° |
| C05 | C04 | N03 | C02 | 103.0° | 180.0° |
| C05 | C04 | N03 | H4 | 121.0° | 120.0° |
| C05 | C04 | N03 | H5 | 121.0° | 119.9° |
| C04 | C05 | C10 | H1 | 0.9° | 0.0° |
| C05 | C04 | H4 | H5 | 116.7° | 120.0° |
| C04 | C05 | C06 | H6 | 1.0° | 0.2° |
| C05 | C04 | N03 | H15 | 77.0° | 0.1° |
| O01 | C02 | C14 | N03 | 180.0° | 180.0° |
| O01 | C02 | C14 | C15 | 127.4° | 0.0° |
| O01 | C02 | N03 | C04 | 1.1° | 0.0° |
| O01 | C02 | N03 | H15 | 178.9° | 180.0° |
| C14 | C02 | N03 | C04 | 178.8° | 180.0° |
| C02 | C14 | C15 | C16 | 178.9° | 180.0° |
| C02 | C14 | C15 | H2 | 1.1° | 0.2° |
| C02 | C14 | C19 | H14 | 1.0° | 0.2° |
| C14 | C02 | N03 | H15 | 1.2° | 0.0° |
| N03 | C02 | C14 | C15 | 52.6° | 180.0° |
| C02 | N03 | C04 | H15 | 180.0° | 179.9° |
| C02 | N03 | C04 | H4 | 18.0° | 60.0° |
| C02 | N03 | C04 | H5 | 135.9° | 60.1° |
| C14 | C15 | C16 | C17 | 0.4° | 0.2° |
| C14 | C15 | C16 | H2 | 180.0° | 179.8° |
| C14 | C15 | C16 | H12 | 179.5° | 179.8° |
| C15 | C14 | C19 | H14 | 178.9° | 179.7° |
| C17 | C16 | C15 | H12 | 180.0° | 180.0° |
| C17 | C16 | C15 | H2 | 179.6° | 180.0° |
| C16 | C17 | C18 | H13 | 180.0° | 180.0° |
| N03 | C04 | H4 | H5 | 116.7° | 120.0° |
| C15 | C16 | C17 | H3 | 179.9° | 179.9° |
| H2 | C15 | C16 | H12 | 0.5° | 0.0° |
| H3 | C17 | C16 | H12 | 0.0° | 0.1° |
| H3 | C17 | C18 | H13 | 0.0° | 0.6° |
| H4 | C04 | N03 | H15 | 162.0° | 120.0° |
| H5 | C04 | N03 | H15 | 44.0° | 120.0° |
| H6 | C06 | C07 | H7 | 0.3° | 0.2° |
| H8 | C11 | C12 | H10 | 17.4° | 25.1° |
| H8 | C11 | C12 | H11 | 103.6° | 98.1° |
| H9 | C11 | C12 | H10 | 138.5° | 148.7° |
| H9 | C11 | C12 | H11 | 17.5° | 25.6° |
| H13 | C18 | C19 | H14 | 0.6° | 0.5° |
