Y5L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | C16 | sing | 1.43Å | 1.39Å | |
| O15 | C14 | sing | 1.36Å | 1.40Å | |
| C17 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| N19 | C18 | sing | 1.40Å | 1.49Å | |
| N19 | C20 | sing | 1.35Å | 1.45Å | |
| C18 | C11 | doub | 1.40Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | O22 | doub | 1.21Å | 1.18Å | |
| C20 | C21 | sing | 1.51Å | 1.55Å | |
| C11 | C12 | sing | 1.38Å | 1.42Å | Aromatic |
| C11 | N10 | sing | 1.40Å | 1.45Å | |
| C06 | C07 | sing | 1.54Å | 1.51Å | |
| C06 | C05 | sing | 1.51Å | 1.55Å | |
| C07 | C08 | sing | 1.54Å | 1.52Å | |
| N10 | C21 | sing | 1.47Å | 1.42Å | |
| N10 | C09 | sing | 1.39Å | 1.44Å | |
| C05 | C09 | doub | 1.40Å | 1.41Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | N23 | sing | 1.33Å | 1.33Å | Aromatic |
| C08 | C04 | sing | 1.51Å | 1.55Å | |
| C04 | N03 | doub | 1.33Å | 1.34Å | Aromatic |
| N23 | C02 | doub | 1.32Å | 1.33Å | Aromatic |
| N03 | C02 | sing | 1.32Å | 1.32Å | Aromatic |
| C02 | CL01 | sing | 1.74Å | 1.78Å | |
| C06 | H1 | sing | 1.09Å | 1.10Å | |
| C06 | H2 | sing | 1.09Å | 1.10Å | |
| C07 | H3 | sing | 1.09Å | 1.10Å | |
| C07 | H4 | sing | 1.09Å | 1.10Å | |
| C08 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| N19 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | O15 | C14 | 113.2° | 117.0° |
| O15 | C16 | H9 | 109.5° | 109.4° |
| O15 | C16 | H10 | 109.5° | 109.5° |
| O15 | C16 | H11 | 109.5° | 109.5° |
| O15 | C14 | C17 | 119.0° | 119.9° |
| O15 | C14 | C13 | 121.4° | 119.9° |
| C14 | C17 | C18 | 120.6° | 119.8° |
| C17 | C14 | C13 | 119.6° | 120.3° |
| C14 | C17 | H12 | 119.7° | 120.1° |
| C17 | C18 | N19 | 119.5° | 120.8° |
| C17 | C18 | C11 | 119.9° | 119.7° |
| C18 | C17 | H12 | 119.7° | 120.1° |
| C14 | C13 | C12 | 120.0° | 120.1° |
| C14 | C13 | H8 | 120.0° | 119.9° |
| C18 | N19 | C20 | 119.9° | 120.8° |
| N19 | C18 | C11 | 120.5° | 119.5° |
| C18 | N19 | H15 | 120.0° | 119.6° |
| N19 | C20 | O22 | 123.0° | 119.6° |
| N19 | C20 | C21 | 114.3° | 120.8° |
| C20 | N19 | H15 | 120.1° | 119.6° |
| C18 | C11 | C12 | 120.0° | 120.3° |
| C18 | C11 | N10 | 117.3° | 118.7° |
| C13 | C12 | C11 | 119.8° | 119.8° |
| C13 | C12 | H7 | 120.1° | 120.1° |
| C12 | C13 | H8 | 120.0° | 120.0° |
| O22 | C20 | C21 | 122.7° | 119.6° |
| C20 | C21 | N10 | 113.2° | 109.1° |
| C20 | C21 | H13 | 108.5° | 109.6° |
| C20 | C21 | H14 | 108.5° | 109.5° |
| C12 | C11 | N10 | 122.7° | 121.0° |
| C11 | C12 | H7 | 120.1° | 120.1° |
| C11 | N10 | C21 | 117.3° | 117.9° |
| C11 | N10 | C09 | 123.8° | 121.1° |
| C07 | C06 | C05 | 106.9° | 105.1° |
| C06 | C07 | C08 | 103.9° | 102.5° |
| C07 | C06 | H1 | 110.1° | 110.3° |
| C07 | C06 | H2 | 110.1° | 110.3° |
| C06 | C07 | H3 | 110.8° | 110.8° |
| C06 | C07 | H4 | 110.8° | 110.8° |
| C06 | C05 | C09 | 134.7° | 131.5° |
| C06 | C05 | C04 | 108.9° | 110.0° |
| C05 | C06 | H1 | 110.1° | 110.6° |
| C05 | C06 | H2 | 110.1° | 110.0° |
| C07 | C08 | C04 | 106.9° | 105.3° |
| C08 | C07 | H3 | 110.8° | 110.4° |
| C08 | C07 | H4 | 110.8° | 111.1° |
| C07 | C08 | H5 | 110.1° | 110.3° |
| C07 | C08 | H6 | 110.1° | 110.3° |
| C21 | N10 | C09 | 118.9° | 121.1° |
| N10 | C21 | H13 | 108.5° | 109.5° |
| N10 | C21 | H14 | 108.5° | 109.6° |
| N10 | C09 | C05 | 122.7° | 120.5° |
| N10 | C09 | N23 | 118.0° | 120.5° |
| C09 | C05 | C04 | 116.4° | 118.5° |
| C05 | C09 | N23 | 119.3° | 118.9° |
| C05 | C04 | C08 | 108.7° | 109.7° |
| C05 | C04 | N03 | 121.3° | 119.1° |
| C09 | N23 | C02 | 121.8° | 120.6° |
| C08 | C04 | N03 | 130.0° | 131.2° |
| C04 | C08 | H5 | 110.1° | 109.9° |
| C04 | C08 | H6 | 110.1° | 110.6° |
| C04 | N03 | C02 | 119.7° | 121.0° |
| N23 | C02 | N03 | 121.5° | 121.9° |
| N23 | C02 | CL01 | 118.8° | 119.1° |
| N03 | C02 | CL01 | 119.7° | 119.1° |
| H1 | C06 | H2 | 109.5° | 110.4° |
| H3 | C07 | H4 | 109.5° | 110.9° |
| H5 | C08 | H6 | 109.5° | 110.3° |
| H9 | C16 | H10 | 109.5° | 109.4° |
| H9 | C16 | H11 | 109.4° | 109.5° |
| H10 | C16 | H11 | 109.4° | 109.5° |
| H13 | C21 | H14 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | O15 | C14 | C17 | 162.9° | 180.0° |
| C16 | O15 | C14 | C13 | 17.1° | 0.0° |
| O15 | C16 | H9 | H10 | 120.0° | 120.0° |
| O15 | C16 | H9 | H11 | 120.0° | 120.0° |
| O15 | C16 | H10 | H11 | 120.0° | 120.0° |
| O15 | C14 | C17 | C13 | 180.0° | 180.0° |
| O15 | C14 | C17 | C18 | 180.0° | 179.9° |
| O15 | C14 | C13 | C12 | 179.9° | 179.9° |
| O15 | C14 | C13 | H8 | 0.2° | 0.2° |
| C14 | O15 | C16 | H9 | 180.0° | 60.0° |
| C14 | O15 | C16 | H10 | 60.0° | 59.9° |
| C14 | O15 | C16 | H11 | 60.0° | 180.0° |
| O15 | C14 | C17 | H12 | 0.0° | 0.0° |
| C14 | C17 | C18 | H12 | 180.0° | 179.9° |
| C14 | C17 | C18 | N19 | 180.0° | 179.5° |
| C14 | C17 | C18 | C11 | 0.0° | 0.1° |
| C17 | C14 | C13 | C12 | 0.1° | 0.1° |
| C17 | C14 | C13 | H8 | 179.8° | 179.9° |
| C18 | C17 | C14 | C13 | 0.0° | 0.0° |
| C17 | C18 | N19 | C11 | 179.9° | 179.6° |
| C17 | C18 | N19 | C20 | 163.3° | 166.0° |
| C17 | C18 | C11 | C12 | 0.0° | 0.1° |
| C17 | C18 | C11 | N10 | 179.9° | 179.7° |
| C17 | C18 | N19 | H15 | 16.7° | 14.0° |
| C14 | C13 | C12 | H8 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 0.2° | 0.0° |
| C14 | C13 | C12 | H7 | 179.8° | 179.9° |
| C13 | C14 | C17 | H12 | 180.0° | 180.0° |
| C18 | N19 | C20 | H15 | 180.0° | 179.9° |
| C18 | N19 | C20 | O22 | 179.9° | 177.7° |
| C18 | N19 | C20 | C21 | 0.5° | 2.1° |
| N19 | C18 | C11 | C12 | 179.9° | 179.5° |
| N19 | C18 | C11 | N10 | 0.1° | 0.8° |
| N19 | C18 | C17 | H12 | 0.1° | 0.5° |
| C20 | N19 | C18 | C11 | 16.6° | 14.4° |
| N19 | C20 | O22 | C21 | 179.6° | 179.8° |
| N19 | C20 | C21 | N10 | 31.1° | 28.9° |
| N19 | C20 | C21 | H13 | 151.6° | 91.0° |
| N19 | C20 | C21 | H14 | 89.5° | 148.8° |
| C18 | C11 | C12 | C13 | 0.2° | 0.1° |
| C18 | C11 | C12 | N10 | 180.0° | 179.8° |
| C18 | C11 | N10 | C21 | 34.5° | 29.1° |
| C18 | C11 | N10 | C09 | 144.8° | 150.8° |
| C18 | C11 | C12 | H7 | 179.9° | 180.0° |
| C11 | C18 | C17 | H12 | 180.0° | 179.9° |
| C11 | C18 | N19 | H15 | 163.4° | 165.5° |
| C13 | C12 | C11 | H7 | 180.0° | 179.9° |
| C13 | C12 | C11 | N10 | 179.8° | 179.7° |
| O22 | C20 | C21 | N10 | 148.5° | 150.9° |
| O22 | C20 | C21 | H13 | 28.0° | 89.2° |
| O22 | C20 | C21 | H14 | 90.9° | 31.0° |
| O22 | C20 | N19 | H15 | 0.1° | 2.3° |
| C20 | C21 | N10 | C11 | 49.6° | 41.9° |
| C20 | C21 | N10 | H13 | 120.6° | 119.9° |
| C20 | C21 | N10 | H14 | 120.5° | 119.9° |
| C20 | C21 | N10 | C09 | 129.8° | 138.1° |
| C20 | C21 | H13 | H14 | 118.3° | 120.2° |
| C21 | C20 | N19 | H15 | 179.5° | 177.9° |
| C12 | C11 | N10 | C21 | 145.6° | 150.6° |
| C12 | C11 | N10 | C09 | 35.1° | 29.4° |
| C11 | C12 | C13 | H8 | 179.8° | 179.9° |
| C11 | N10 | C21 | C09 | 179.3° | 180.0° |
| C11 | N10 | C09 | C05 | 38.4° | 172.6° |
| C11 | N10 | C09 | N23 | 143.1° | 7.6° |
| N10 | C11 | C12 | H7 | 0.2° | 0.2° |
| C11 | N10 | C21 | H13 | 170.1° | 78.1° |
| C11 | N10 | C21 | H14 | 71.0° | 161.7° |
| C07 | C06 | C05 | H1 | 119.6° | 119.0° |
| C07 | C06 | C05 | H2 | 119.6° | 118.8° |
| C06 | C07 | C08 | H3 | 119.1° | 118.1° |
| C06 | C07 | C08 | H4 | 119.1° | 118.4° |
| C07 | C06 | C05 | C09 | 166.3° | 163.0° |
| C07 | C06 | C05 | C04 | 13.4° | 16.8° |
| C06 | C07 | C08 | C04 | 20.8° | 25.7° |
| C07 | C06 | H1 | H2 | 121.2° | 122.2° |
| C06 | C07 | H3 | H4 | 122.6° | 123.5° |
| C06 | C07 | C08 | H5 | 140.4° | 92.8° |
| C06 | C07 | C08 | H6 | 98.8° | 145.0° |
| C05 | C06 | C07 | C08 | 20.8° | 25.7° |
| C06 | C05 | C09 | N10 | 1.1° | 0.2° |
| C06 | C05 | C09 | C04 | 179.7° | 179.8° |
| C06 | C05 | C09 | N23 | 179.6° | 180.0° |
| C06 | C05 | C04 | C08 | 0.1° | 0.1° |
| C06 | C05 | C04 | N03 | 179.9° | 179.9° |
| C05 | C06 | H1 | H2 | 121.2° | 122.0° |
| C05 | C06 | C07 | H3 | 98.3° | 92.2° |
| C05 | C06 | C07 | H4 | 139.9° | 144.3° |
| C07 | C08 | C04 | C05 | 13.3° | 16.8° |
| C07 | C08 | C04 | H5 | 119.6° | 118.8° |
| C07 | C08 | C04 | H6 | 119.6° | 119.1° |
| C07 | C08 | C04 | N03 | 166.8° | 163.3° |
| C08 | C07 | C06 | H1 | 98.8° | 144.9° |
| C08 | C07 | C06 | H2 | 140.4° | 92.8° |
| C08 | C07 | H3 | H4 | 122.6° | 123.6° |
| C07 | C08 | H5 | H6 | 121.1° | 122.1° |
| C21 | N10 | C09 | C05 | 140.9° | 7.4° |
| C21 | N10 | C09 | N23 | 37.6° | 172.4° |
| N10 | C21 | H13 | H14 | 118.3° | 120.2° |
| N10 | C09 | C05 | N23 | 178.5° | 179.8° |
| N10 | C09 | C05 | C04 | 179.2° | 180.0° |
| N10 | C09 | N23 | C02 | 179.3° | 179.7° |
| C09 | N10 | C21 | H13 | 9.2° | 102.0° |
| C09 | N10 | C21 | H14 | 109.7° | 18.2° |
| C09 | C05 | C04 | C08 | 179.7° | 179.8° |
| C09 | C05 | C04 | N03 | 0.3° | 0.3° |
| C05 | C09 | N23 | C02 | 0.7° | 0.1° |
| C09 | C05 | C06 | H1 | 74.1° | 44.0° |
| C09 | C05 | C06 | H2 | 46.7° | 78.2° |
| C04 | C05 | C09 | N23 | 0.7° | 0.2° |
| C05 | C04 | C08 | N03 | 179.9° | 180.0° |
| C05 | C04 | N03 | C02 | 0.1° | 0.0° |
| C04 | C05 | C06 | H1 | 106.2° | 135.8° |
| C04 | C05 | C06 | H2 | 133.0° | 102.0° |
| C05 | C04 | C08 | H5 | 132.9° | 102.0° |
| C05 | C04 | C08 | H6 | 106.3° | 135.9° |
| C09 | N23 | C02 | N03 | 0.3° | 0.3° |
| C09 | N23 | C02 | CL01 | 179.7° | 180.0° |
| C08 | C04 | N03 | C02 | 179.9° | 180.0° |
| C04 | C08 | C07 | H3 | 98.3° | 92.4° |
| C04 | C08 | C07 | H4 | 139.9° | 144.1° |
| C04 | C08 | H5 | H6 | 121.2° | 122.2° |
| C04 | N03 | C02 | N23 | 0.1° | 0.3° |
| C04 | N03 | C02 | CL01 | 179.9° | 180.0° |
| N03 | C04 | C08 | H5 | 47.1° | 77.9° |
| N03 | C04 | C08 | H6 | 73.7° | 44.1° |
| N23 | C02 | N03 | CL01 | 179.9° | 179.7° |
| H1 | C06 | C07 | H3 | 142.1° | 27.0° |
| H1 | C06 | C07 | H4 | 20.3° | 96.5° |
| H2 | C06 | C07 | H3 | 21.3° | 149.3° |
| H2 | C06 | C07 | H4 | 100.5° | 25.7° |
| H3 | C07 | C08 | H5 | 21.3° | 149.0° |
| H3 | C07 | C08 | H6 | 142.1° | 26.9° |
| H4 | C07 | C08 | H5 | 100.5° | 25.5° |
| H4 | C07 | C08 | H6 | 20.2° | 96.6° |
| H7 | C12 | C13 | H8 | 0.2° | 0.1° |
| H9 | C16 | H10 | H11 | 120.0° | 120.0° |
