L1Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O17 | C09 | doub | 1.21Å | 1.26Å | |
| O16 | C07 | doub | 1.21Å | 1.17Å | |
| C08 | C09 | sing | 1.51Å | 1.52Å | |
| C08 | C11 | sing | 1.53Å | 1.54Å | |
| C09 | O15 | sing | 1.34Å | 1.26Å | |
| C07 | C10 | sing | 1.51Å | 1.55Å | |
| C07 | C05 | sing | 1.47Å | 1.56Å | |
| C10 | C11 | sing | 1.54Å | 1.34Å | |
| C10 | C12 | sing | 1.54Å | 1.69Å | |
| C06 | C05 | doub | 1.40Å | 1.56Å | Aromatic |
| C06 | C01 | sing | 1.38Å | 1.54Å | Aromatic |
| C11 | C14 | sing | 1.54Å | 1.64Å | |
| C12 | C13 | sing | 1.55Å | 1.39Å | |
| C05 | C04 | sing | 1.40Å | 1.54Å | Aromatic |
| C13 | C14 | sing | 1.55Å | 1.59Å | |
| C01 | C02 | doub | 1.40Å | 1.54Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.55Å | Aromatic |
| C02 | C03 | sing | 1.40Å | 1.57Å | Aromatic |
| C02 | C18 | sing | 1.48Å | 1.55Å | |
| O20 | C18 | doub | 1.21Å | 1.26Å | |
| C18 | O19 | sing | 1.35Å | 1.27Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.08Å | 1.08Å | |
| C03 | H7 | sing | 1.08Å | 1.08Å | |
| C04 | H8 | sing | 1.08Å | 1.08Å | |
| C06 | H9 | sing | 1.08Å | 1.08Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| O15 | H15 | sing | 0.97Å | 0.95Å | |
| O19 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | C09 | C08 | 122.5° | 120.0° |
| O17 | C09 | O15 | 120.6° | 120.0° |
| O16 | C07 | C10 | 116.5° | 120.0° |
| O16 | C07 | C05 | 112.8° | 120.0° |
| C09 | C08 | C11 | 104.7° | 109.5° |
| C08 | C09 | O15 | 117.0° | 120.0° |
| C09 | C08 | H10 | 110.6° | 109.5° |
| C09 | C08 | H11 | 110.6° | 109.4° |
| C08 | C11 | C10 | 108.9° | 110.1° |
| C08 | C11 | C14 | 108.9° | 110.0° |
| C11 | C08 | H10 | 110.7° | 109.5° |
| C11 | C08 | H11 | 110.6° | 109.4° |
| C08 | C11 | H12 | 110.9° | 110.0° |
| C09 | O15 | H15 | 109.5° | 117.1° |
| C10 | C07 | C05 | 130.6° | 120.0° |
| C07 | C10 | C11 | 114.8° | 110.0° |
| C07 | C10 | C12 | 112.5° | 110.0° |
| C07 | C10 | H1 | 107.5° | 110.0° |
| C07 | C05 | C06 | 114.9° | 120.0° |
| C07 | C05 | C04 | 124.7° | 120.0° |
| C11 | C10 | C12 | 105.5° | 106.6° |
| C10 | C11 | C14 | 104.2° | 106.6° |
| C11 | C10 | H1 | 110.3° | 110.0° |
| C10 | C11 | H12 | 114.2° | 110.1° |
| C10 | C12 | C13 | 103.0° | 104.2° |
| C12 | C10 | H1 | 105.9° | 110.1° |
| C10 | C12 | H2 | 111.1° | 110.5° |
| C10 | C12 | H3 | 111.0° | 110.5° |
| C05 | C06 | C01 | 120.7° | 120.0° |
| C06 | C05 | C04 | 120.4° | 119.9° |
| C05 | C06 | H9 | 119.7° | 120.0° |
| C06 | C01 | C02 | 119.8° | 120.1° |
| C06 | C01 | H6 | 120.1° | 120.0° |
| C01 | C06 | H9 | 119.6° | 120.0° |
| C11 | C14 | C13 | 104.8° | 104.2° |
| C11 | C14 | H4 | 110.6° | 110.5° |
| C11 | C14 | H5 | 110.6° | 110.5° |
| C14 | C11 | H12 | 109.5° | 110.0° |
| C12 | C13 | C14 | 105.5° | 102.7° |
| C13 | C12 | H2 | 111.1° | 110.5° |
| C13 | C12 | H3 | 111.1° | 110.5° |
| C12 | C13 | H13 | 110.4° | 110.8° |
| C12 | C13 | H14 | 110.4° | 110.8° |
| C05 | C04 | C03 | 118.3° | 120.0° |
| C05 | C04 | H8 | 120.8° | 120.0° |
| C13 | C14 | H4 | 110.6° | 110.5° |
| C13 | C14 | H5 | 110.6° | 110.6° |
| C14 | C13 | H13 | 110.5° | 110.7° |
| C14 | C13 | H14 | 110.4° | 110.7° |
| C01 | C02 | C03 | 119.4° | 120.0° |
| C01 | C02 | C18 | 118.6° | 120.0° |
| C02 | C01 | H6 | 120.1° | 120.0° |
| C04 | C03 | C02 | 121.3° | 120.0° |
| C04 | C03 | H7 | 119.4° | 120.0° |
| C03 | C04 | H8 | 120.8° | 120.0° |
| C03 | C02 | C18 | 121.9° | 120.0° |
| C02 | C03 | H7 | 119.3° | 120.0° |
| C02 | C18 | O20 | 119.3° | 120.0° |
| C02 | C18 | O19 | 120.5° | 120.0° |
| O20 | C18 | O19 | 120.1° | 120.0° |
| C18 | O19 | H16 | 109.5° | 117.0° |
| H2 | C12 | H3 | 109.4° | 110.5° |
| H4 | C14 | H5 | 109.5° | 110.4° |
| H10 | C08 | H11 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | C09 | C08 | O15 | 179.3° | 179.9° |
| O17 | C09 | C08 | C11 | 155.2° | 0.1° |
| O17 | C09 | C08 | H10 | 85.5° | 120.0° |
| O17 | C09 | C08 | H11 | 36.0° | 120.0° |
| O17 | C09 | O15 | H15 | 0.0° | 0.1° |
| O16 | C07 | C10 | C05 | 178.6° | 180.0° |
| O16 | C07 | C10 | C11 | 107.7° | 30.0° |
| O16 | C07 | C10 | C12 | 131.6° | 87.2° |
| O16 | C07 | C05 | C06 | 5.4° | 179.7° |
| O16 | C07 | C05 | C04 | 174.5° | 0.0° |
| O16 | C07 | C10 | H1 | 15.4° | 151.4° |
| C09 | C08 | C11 | H10 | 119.2° | 120.1° |
| C09 | C08 | C11 | H11 | 119.2° | 120.0° |
| C09 | C08 | C11 | C10 | 91.8° | 175.0° |
| C09 | C08 | C11 | C14 | 155.2° | 67.8° |
| C09 | C08 | H10 | H11 | 122.2° | 120.0° |
| C09 | C08 | C11 | H12 | 34.7° | 53.5° |
| C08 | C09 | O15 | H15 | 179.3° | 180.0° |
| C11 | C08 | C09 | O15 | 24.1° | 180.0° |
| C08 | C11 | C10 | C07 | 87.0° | 121.5° |
| C08 | C11 | C10 | C14 | 116.1° | 119.2° |
| C08 | C11 | C10 | H12 | 124.5° | 121.4° |
| C08 | C11 | C10 | C12 | 148.6° | 119.2° |
| C08 | C11 | C14 | H12 | 121.3° | 121.4° |
| C08 | C11 | C14 | C13 | 130.5° | 142.9° |
| C08 | C11 | C10 | H1 | 34.6° | 0.1° |
| C08 | C11 | C14 | H4 | 110.2° | 98.4° |
| C08 | C11 | C14 | H5 | 11.3° | 24.1° |
| C11 | C08 | H10 | H11 | 122.2° | 120.0° |
| O15 | C09 | C08 | H10 | 95.2° | 60.0° |
| O15 | C09 | C08 | H11 | 143.3° | 60.0° |
| C07 | C10 | C11 | C12 | 124.4° | 119.3° |
| C07 | C10 | C11 | H1 | 121.6° | 121.4° |
| C07 | C10 | C12 | H1 | 117.1° | 121.4° |
| C10 | C07 | C05 | C06 | 173.3° | 0.3° |
| C07 | C10 | C11 | C14 | 157.0° | 119.3° |
| C07 | C10 | C12 | C13 | 169.9° | 95.7° |
| C10 | C07 | C05 | C04 | 6.9° | 180.0° |
| C07 | C10 | C12 | H2 | 71.1° | 145.6° |
| C07 | C10 | C12 | H3 | 50.9° | 23.0° |
| C07 | C10 | C11 | H12 | 37.5° | 0.0° |
| C05 | C07 | C10 | C11 | 73.7° | 150.0° |
| C05 | C07 | C10 | C12 | 47.0° | 92.8° |
| C07 | C05 | C06 | C04 | 179.9° | 179.7° |
| C07 | C05 | C06 | C01 | 179.5° | 179.7° |
| C07 | C05 | C04 | C03 | 179.9° | 180.0° |
| C05 | C07 | C10 | H1 | 163.2° | 28.6° |
| C07 | C05 | C04 | H8 | 0.1° | 0.1° |
| C07 | C05 | C06 | H9 | 0.5° | 0.3° |
| C11 | C10 | C12 | H1 | 117.0° | 119.3° |
| C10 | C11 | C14 | H12 | 122.6° | 119.3° |
| C11 | C10 | C12 | C13 | 44.0° | 23.6° |
| C10 | C11 | C14 | C13 | 14.5° | 23.6° |
| C11 | C10 | C12 | H2 | 163.0° | 95.1° |
| C11 | C10 | C12 | H3 | 75.0° | 142.3° |
| C10 | C11 | C14 | H4 | 133.7° | 142.3° |
| C10 | C11 | C14 | H5 | 104.8° | 95.2° |
| C10 | C11 | C08 | H10 | 149.0° | 64.9° |
| C10 | C11 | C08 | H11 | 27.5° | 55.0° |
| C12 | C10 | C11 | C14 | 32.5° | 0.0° |
| C10 | C12 | C13 | H2 | 119.0° | 118.7° |
| C10 | C12 | C13 | H3 | 119.0° | 118.7° |
| C10 | C12 | C13 | C14 | 31.6° | 37.9° |
| C10 | C12 | H2 | H3 | 123.0° | 122.6° |
| C12 | C10 | C11 | H12 | 86.9° | 119.3° |
| C10 | C12 | C13 | H13 | 87.8° | 156.2° |
| C10 | C12 | C13 | H14 | 151.0° | 80.4° |
| C05 | C06 | C01 | H9 | 180.0° | 179.4° |
| C05 | C06 | C01 | C02 | 0.4° | 0.6° |
| C06 | C05 | C04 | C03 | 0.2° | 0.3° |
| C05 | C06 | C01 | H6 | 179.7° | 179.7° |
| C06 | C05 | C04 | H8 | 179.8° | 179.8° |
| C01 | C06 | C05 | C04 | 0.7° | 0.6° |
| C06 | C01 | C02 | H6 | 180.0° | 179.8° |
| C06 | C01 | C02 | C03 | 0.4° | 0.3° |
| C06 | C01 | C02 | C18 | 178.1° | 179.8° |
| C11 | C14 | C13 | C12 | 14.2° | 37.9° |
| C11 | C14 | C13 | H4 | 119.3° | 118.7° |
| C11 | C14 | C13 | H5 | 119.3° | 118.7° |
| C14 | C11 | C10 | H1 | 81.5° | 119.3° |
| C11 | C14 | H4 | H5 | 122.2° | 122.6° |
| C14 | C11 | C08 | H10 | 35.9° | 52.2° |
| C14 | C11 | C08 | H11 | 85.6° | 172.2° |
| C11 | C14 | C13 | H13 | 105.2° | 156.3° |
| C11 | C14 | C13 | H14 | 133.6° | 80.4° |
| C12 | C13 | C14 | H13 | 119.4° | 118.3° |
| C12 | C13 | C14 | H14 | 119.4° | 118.4° |
| C13 | C12 | C10 | H1 | 73.0° | 142.9° |
| C13 | C12 | H2 | H3 | 123.0° | 122.6° |
| C12 | C13 | C14 | H4 | 105.0° | 156.6° |
| C12 | C13 | C14 | H5 | 133.5° | 80.8° |
| C12 | C13 | H13 | H14 | 121.8° | 123.4° |
| C05 | C04 | C03 | H8 | 180.0° | 179.9° |
| C05 | C04 | C03 | C02 | 0.6° | 0.0° |
| C05 | C04 | C03 | H7 | 179.4° | 180.0° |
| C04 | C05 | C06 | H9 | 179.3° | 180.0° |
| C14 | C13 | C12 | H2 | 150.6° | 80.8° |
| C14 | C13 | C12 | H3 | 87.4° | 156.6° |
| C13 | C14 | H4 | H5 | 122.2° | 122.7° |
| C13 | C14 | C11 | H12 | 108.1° | 95.7° |
| C14 | C13 | H13 | H14 | 121.8° | 123.3° |
| C01 | C02 | C03 | C04 | 0.9° | 0.0° |
| C01 | C02 | C03 | C18 | 177.6° | 179.9° |
| C01 | C02 | C18 | O20 | 27.2° | 0.0° |
| C01 | C02 | C18 | O19 | 156.1° | 180.0° |
| C01 | C02 | C03 | H7 | 179.1° | 180.0° |
| C02 | C01 | C06 | H9 | 179.6° | 180.0° |
| C04 | C03 | C02 | H7 | 180.0° | 180.0° |
| C04 | C03 | C02 | C18 | 178.5° | 180.0° |
| C03 | C02 | C18 | O20 | 150.4° | 179.9° |
| C03 | C02 | C18 | O19 | 26.3° | 0.1° |
| C03 | C02 | C01 | H6 | 179.6° | 179.9° |
| C02 | C03 | C04 | H8 | 179.4° | 180.0° |
| C02 | C18 | O20 | O19 | 176.7° | 180.0° |
| C18 | C02 | C01 | H6 | 1.9° | 0.0° |
| C18 | C02 | C03 | H7 | 1.5° | 0.1° |
| C02 | C18 | O19 | H16 | 176.7° | 180.0° |
| O20 | C18 | O19 | H16 | 0.0° | 0.0° |
| H1 | C10 | C12 | H2 | 46.0° | 24.2° |
| H1 | C10 | C12 | H3 | 168.0° | 98.4° |
| H1 | C10 | C11 | H12 | 159.1° | 121.4° |
| H2 | C12 | C13 | H13 | 31.2° | 37.5° |
| H2 | C12 | C13 | H14 | 90.1° | 160.9° |
| H3 | C12 | C13 | H13 | 153.2° | 85.1° |
| H3 | C12 | C13 | H14 | 32.0° | 38.3° |
| H4 | C14 | C11 | H12 | 11.2° | 22.9° |
| H4 | C14 | C13 | H13 | 135.6° | 85.0° |
| H4 | C14 | C13 | H14 | 14.3° | 38.2° |
| H5 | C14 | C11 | H12 | 132.6° | 145.5° |
| H5 | C14 | C13 | H13 | 14.1° | 37.5° |
| H5 | C14 | C13 | H14 | 107.1° | 160.8° |
| H6 | C01 | C06 | H9 | 0.3° | 0.3° |
| H7 | C03 | C04 | H8 | 0.6° | 0.1° |
| H10 | C08 | C11 | H12 | 84.6° | 173.6° |
| H11 | C08 | C11 | H12 | 153.9° | 66.4° |
