L5A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O16 | C09 | doub | 1.21Å | 1.26Å | |
| C06 | C01 | doub | 1.38Å | 1.51Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.50Å | Aromatic |
| C11 | C08 | sing | 1.53Å | 1.43Å | |
| C11 | C14 | sing | 1.54Å | 1.59Å | |
| C11 | C10 | sing | 1.54Å | 1.61Å | |
| C07 | C05 | sing | 1.51Å | 1.51Å | |
| C07 | C10 | sing | 1.53Å | 1.54Å | |
| C09 | C08 | sing | 1.51Å | 1.53Å | |
| C09 | O15 | sing | 1.34Å | 1.26Å | |
| C14 | C13 | sing | 1.55Å | 1.38Å | |
| C01 | C02 | sing | 1.38Å | 1.50Å | Aromatic |
| C13 | C12 | sing | 1.55Å | 1.67Å | |
| C12 | C10 | sing | 1.54Å | 1.38Å | |
| C05 | C04 | doub | 1.38Å | 1.52Å | Aromatic |
| C02 | C17 | sing | 1.51Å | 1.51Å | |
| C02 | C03 | doub | 1.38Å | 1.52Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.53Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| O19 | C18 | doub | 1.21Å | 1.26Å | |
| C18 | O20 | sing | 1.34Å | 1.25Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.08Å | 1.08Å | |
| C03 | H6 | sing | 1.08Å | 1.08Å | |
| C04 | H7 | sing | 1.08Å | 1.08Å | |
| C06 | H8 | sing | 1.08Å | 1.08Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| O15 | H19 | sing | 0.97Å | 0.95Å | |
| O20 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O16 | C09 | C08 | 120.5° | 120.0° |
| O16 | C09 | O15 | 119.0° | 120.0° |
| C01 | C06 | C05 | 118.9° | 120.0° |
| C06 | C01 | C02 | 121.5° | 120.0° |
| C06 | C01 | H5 | 119.3° | 120.0° |
| C01 | C06 | H8 | 120.5° | 120.0° |
| C06 | C05 | C07 | 115.0° | 120.0° |
| C06 | C05 | C04 | 120.6° | 120.0° |
| C05 | C06 | H8 | 120.6° | 120.0° |
| C08 | C11 | C14 | 110.3° | 110.0° |
| C08 | C11 | C10 | 114.2° | 110.1° |
| C11 | C08 | C09 | 113.5° | 109.5° |
| C08 | C11 | H2 | 112.1° | 110.0° |
| C11 | C08 | H11 | 108.5° | 109.5° |
| C11 | C08 | H12 | 108.5° | 109.4° |
| C14 | C11 | C10 | 100.4° | 106.6° |
| C11 | C14 | C13 | 105.5° | 104.2° |
| C14 | C11 | H2 | 109.7° | 110.1° |
| C11 | C14 | H15 | 110.4° | 110.5° |
| C11 | C14 | H16 | 110.5° | 110.5° |
| C11 | C10 | C07 | 110.4° | 110.1° |
| C11 | C10 | C12 | 105.0° | 106.6° |
| C11 | C10 | H1 | 109.4° | 110.0° |
| C10 | C11 | H2 | 109.5° | 110.0° |
| C05 | C07 | C10 | 114.4° | 109.5° |
| C07 | C05 | C04 | 124.3° | 120.0° |
| C05 | C07 | H9 | 108.2° | 109.5° |
| C05 | C07 | H10 | 108.2° | 109.5° |
| C07 | C10 | C12 | 108.9° | 110.1° |
| C07 | C10 | H1 | 110.2° | 110.0° |
| C10 | C07 | H9 | 108.2° | 109.5° |
| C10 | C07 | H10 | 108.2° | 109.4° |
| C08 | C09 | O15 | 120.5° | 120.0° |
| C09 | C08 | H11 | 108.4° | 109.5° |
| C09 | C08 | H12 | 108.4° | 109.5° |
| C09 | O15 | H19 | 109.5° | 117.0° |
| C14 | C13 | C12 | 107.2° | 102.7° |
| C14 | C13 | H13 | 110.0° | 110.8° |
| C14 | C13 | H14 | 110.0° | 110.9° |
| C13 | C14 | H15 | 110.5° | 110.4° |
| C13 | C14 | H16 | 110.4° | 110.5° |
| C01 | C02 | C17 | 118.3° | 120.0° |
| C01 | C02 | C03 | 120.6° | 120.0° |
| C02 | C01 | H5 | 119.3° | 120.0° |
| C13 | C12 | C10 | 106.3° | 104.2° |
| C13 | C12 | H3 | 110.3° | 110.5° |
| C13 | C12 | H4 | 110.3° | 110.6° |
| C12 | C13 | H13 | 110.1° | 110.7° |
| C12 | C13 | H14 | 110.0° | 110.8° |
| C12 | C10 | H1 | 112.8° | 110.0° |
| C10 | C12 | H3 | 110.3° | 110.5° |
| C10 | C12 | H4 | 110.2° | 110.5° |
| C05 | C04 | C03 | 120.3° | 120.0° |
| C05 | C04 | H7 | 119.8° | 120.0° |
| C17 | C02 | C03 | 121.1° | 120.0° |
| C02 | C17 | C18 | 105.5° | 109.4° |
| C02 | C17 | H17 | 110.4° | 109.5° |
| C02 | C17 | H18 | 110.5° | 109.4° |
| C02 | C03 | C04 | 118.0° | 119.9° |
| C02 | C03 | H6 | 121.0° | 120.0° |
| C04 | C03 | H6 | 121.0° | 120.1° |
| C03 | C04 | H7 | 119.8° | 119.9° |
| C17 | C18 | O19 | 119.1° | 120.0° |
| C17 | C18 | O20 | 118.4° | 120.0° |
| C18 | C17 | H17 | 110.5° | 109.5° |
| C18 | C17 | H18 | 110.5° | 109.4° |
| O19 | C18 | O20 | 122.4° | 120.0° |
| C18 | O20 | H20 | 109.5° | 117.0° |
| H3 | C12 | H4 | 109.5° | 110.4° |
| H9 | C07 | H10 | 109.5° | 109.5° |
| H11 | C08 | H12 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.5° | 110.7° |
| H15 | C14 | H16 | 109.5° | 110.5° |
| H17 | C17 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | C09 | C08 | C11 | 68.3° | 0.1° |
| O16 | C09 | C08 | O15 | 179.8° | 179.9° |
| O16 | C09 | C08 | H11 | 52.3° | 120.0° |
| O16 | C09 | C08 | H12 | 171.1° | 120.0° |
| O16 | C09 | O15 | H19 | 0.0° | 0.0° |
| C01 | C06 | C05 | H8 | 180.0° | 179.4° |
| C01 | C06 | C05 | C07 | 179.7° | 179.7° |
| C06 | C01 | C02 | H5 | 180.0° | 179.8° |
| C01 | C06 | C05 | C04 | 0.1° | 0.5° |
| C06 | C01 | C02 | C17 | 179.9° | 179.7° |
| C06 | C01 | C02 | C03 | 0.2° | 0.3° |
| C06 | C05 | C07 | C04 | 179.8° | 179.8° |
| C06 | C05 | C07 | C10 | 156.6° | 89.8° |
| C05 | C06 | C01 | C02 | 0.2° | 0.5° |
| C06 | C05 | C04 | C03 | 0.4° | 0.3° |
| C05 | C06 | C01 | H5 | 179.8° | 179.7° |
| C06 | C05 | C04 | H7 | 179.6° | 179.8° |
| C06 | C05 | C07 | H9 | 82.7° | 150.3° |
| C06 | C05 | C07 | H10 | 35.9° | 30.2° |
| C08 | C11 | C14 | C10 | 120.8° | 119.3° |
| C08 | C11 | C14 | H2 | 123.9° | 121.4° |
| C08 | C11 | C10 | H2 | 126.6° | 121.3° |
| C08 | C11 | C10 | C07 | 86.4° | 121.4° |
| C11 | C08 | C09 | H11 | 120.6° | 120.0° |
| C11 | C08 | C09 | H12 | 120.6° | 120.0° |
| C11 | C08 | C09 | O15 | 111.9° | 180.0° |
| C08 | C11 | C14 | C13 | 157.0° | 95.7° |
| C08 | C11 | C10 | C12 | 156.4° | 119.3° |
| C08 | C11 | C10 | H1 | 35.1° | 0.0° |
| C11 | C08 | H11 | H12 | 118.2° | 120.0° |
| C08 | C11 | C14 | H15 | 37.6° | 22.9° |
| C08 | C11 | C14 | H16 | 83.6° | 145.6° |
| C14 | C11 | C10 | H2 | 115.4° | 119.3° |
| C14 | C11 | C10 | C07 | 155.7° | 119.3° |
| C14 | C11 | C08 | C09 | 178.7° | 66.5° |
| C11 | C14 | C13 | H15 | 119.4° | 118.7° |
| C11 | C14 | C13 | H16 | 119.4° | 118.7° |
| C11 | C14 | C13 | C12 | 21.6° | 38.0° |
| C14 | C11 | C10 | C12 | 38.4° | 0.0° |
| C14 | C11 | C10 | H1 | 82.9° | 119.3° |
| C14 | C11 | C08 | H11 | 58.1° | 53.6° |
| C14 | C11 | C08 | H12 | 60.7° | 173.6° |
| C11 | C14 | C13 | H13 | 141.3° | 156.3° |
| C11 | C14 | C13 | H14 | 98.0° | 80.4° |
| C11 | C14 | H15 | H16 | 121.8° | 122.7° |
| C11 | C10 | C07 | C05 | 172.3° | 175.7° |
| C11 | C10 | C07 | C12 | 114.8° | 117.2° |
| C11 | C10 | C07 | H1 | 121.0° | 121.4° |
| C10 | C11 | C08 | C09 | 69.1° | 176.3° |
| C10 | C11 | C14 | C13 | 36.2° | 23.6° |
| C11 | C10 | C12 | C13 | 26.2° | 23.6° |
| C11 | C10 | C12 | H1 | 119.1° | 119.3° |
| C11 | C10 | C12 | H3 | 145.7° | 95.1° |
| C11 | C10 | C12 | H4 | 93.3° | 142.4° |
| C11 | C10 | C07 | H9 | 51.6° | 64.3° |
| C11 | C10 | C07 | H10 | 66.9° | 55.7° |
| C10 | C11 | C08 | H11 | 170.3° | 63.6° |
| C10 | C11 | C08 | H12 | 51.5° | 56.3° |
| C10 | C11 | C14 | H15 | 83.2° | 142.3° |
| C10 | C11 | C14 | H16 | 155.6° | 95.0° |
| C05 | C07 | C10 | H9 | 120.7° | 120.0° |
| C05 | C07 | C10 | H10 | 120.8° | 120.0° |
| C05 | C07 | C10 | C12 | 72.9° | 67.1° |
| C07 | C05 | C04 | C03 | 179.4° | 179.9° |
| C05 | C07 | C10 | H1 | 51.4° | 54.3° |
| C07 | C05 | C04 | H7 | 0.6° | 0.0° |
| C07 | C05 | C06 | H8 | 0.3° | 0.3° |
| C05 | C07 | H9 | H10 | 117.7° | 120.1° |
| C07 | C10 | C12 | C13 | 144.5° | 142.9° |
| C07 | C10 | C12 | H1 | 122.7° | 121.4° |
| C10 | C07 | C05 | C04 | 23.2° | 90.0° |
| C07 | C10 | C11 | H2 | 40.3° | 0.0° |
| C07 | C10 | C12 | H3 | 96.0° | 24.2° |
| C07 | C10 | C12 | H4 | 25.0° | 98.3° |
| C10 | C07 | H9 | H10 | 117.7° | 119.9° |
| C09 | C08 | C11 | H2 | 56.2° | 55.0° |
| C09 | C08 | H11 | H12 | 118.2° | 120.0° |
| C08 | C09 | O15 | H19 | 179.8° | 179.9° |
| O15 | C09 | C08 | H11 | 127.5° | 60.0° |
| O15 | C09 | C08 | H12 | 8.7° | 60.0° |
| C14 | C13 | C12 | H13 | 119.6° | 118.4° |
| C14 | C13 | C12 | H14 | 119.6° | 118.5° |
| C14 | C13 | C12 | C10 | 3.3° | 37.9° |
| C13 | C14 | C11 | H2 | 79.1° | 142.9° |
| C14 | C13 | C12 | H3 | 122.8° | 80.7° |
| C14 | C13 | C12 | H4 | 116.2° | 156.6° |
| C14 | C13 | H13 | H14 | 121.0° | 123.5° |
| C13 | C14 | H15 | H16 | 121.8° | 122.6° |
| C01 | C02 | C17 | C03 | 179.9° | 180.0° |
| C01 | C02 | C03 | C04 | 0.1° | 0.0° |
| C01 | C02 | C17 | C18 | 136.7° | 90.0° |
| C01 | C02 | C03 | H6 | 179.9° | 180.0° |
| C02 | C01 | C06 | H8 | 179.8° | 179.9° |
| C01 | C02 | C17 | H17 | 103.9° | 150.0° |
| C01 | C02 | C17 | H18 | 17.3° | 30.0° |
| C13 | C12 | C10 | H3 | 119.5° | 118.7° |
| C13 | C12 | C10 | H4 | 119.5° | 118.8° |
| C13 | C12 | C10 | H1 | 92.9° | 95.7° |
| C13 | C12 | H3 | H4 | 121.5° | 122.7° |
| C12 | C13 | H13 | H14 | 121.0° | 123.2° |
| C12 | C13 | C14 | H15 | 97.8° | 156.7° |
| C12 | C13 | C14 | H16 | 141.0° | 80.7° |
| C12 | C10 | C11 | H2 | 76.9° | 119.4° |
| C10 | C12 | H3 | H4 | 121.4° | 122.5° |
| C12 | C10 | C07 | H9 | 166.4° | 52.9° |
| C12 | C10 | C07 | H10 | 47.9° | 172.9° |
| C10 | C12 | C13 | H13 | 116.4° | 156.3° |
| C10 | C12 | C13 | H14 | 122.9° | 80.5° |
| C05 | C04 | C03 | C02 | 0.4° | 0.0° |
| C05 | C04 | C03 | H7 | 180.0° | 180.0° |
| C05 | C04 | C03 | H6 | 179.6° | 180.0° |
| C04 | C05 | C06 | H8 | 179.9° | 179.9° |
| C04 | C05 | C07 | H9 | 97.5° | 30.0° |
| C04 | C05 | C07 | H10 | 144.0° | 150.0° |
| C17 | C02 | C03 | C04 | 179.8° | 180.0° |
| C02 | C17 | C18 | H17 | 119.4° | 120.0° |
| C02 | C17 | C18 | H18 | 119.4° | 119.9° |
| C02 | C17 | C18 | O19 | 74.8° | 0.0° |
| C02 | C17 | C18 | O20 | 103.3° | 180.0° |
| C17 | C02 | C01 | H5 | 0.1° | 0.0° |
| C17 | C02 | C03 | H6 | 0.2° | 0.0° |
| C02 | C17 | H17 | H18 | 121.8° | 120.0° |
| C02 | C03 | C04 | H6 | 180.0° | 180.0° |
| C03 | C02 | C17 | C18 | 43.2° | 90.1° |
| C03 | C02 | C01 | H5 | 179.8° | 179.9° |
| C02 | C03 | C04 | H7 | 179.6° | 180.0° |
| C03 | C02 | C17 | H17 | 76.2° | 30.0° |
| C03 | C02 | C17 | H18 | 162.5° | 150.0° |
| C17 | C18 | O19 | O20 | 178.0° | 180.0° |
| C18 | C17 | H17 | H18 | 121.9° | 120.0° |
| C17 | C18 | O20 | H20 | 178.1° | 180.0° |
| O19 | C18 | C17 | H17 | 165.8° | 120.0° |
| O19 | C18 | C17 | H18 | 44.5° | 119.9° |
| O19 | C18 | O20 | H20 | 0.0° | 0.0° |
| O20 | C18 | C17 | H17 | 16.1° | 60.0° |
| O20 | C18 | C17 | H18 | 137.4° | 60.1° |
| H1 | C10 | C11 | H2 | 161.7° | 121.3° |
| H1 | C10 | C12 | H3 | 26.6° | 145.6° |
| H1 | C10 | C12 | H4 | 147.6° | 23.1° |
| H1 | C10 | C07 | H9 | 69.3° | 174.3° |
| H1 | C10 | C07 | H10 | 172.1° | 65.7° |
| H2 | C11 | C08 | H11 | 64.4° | 175.0° |
| H2 | C11 | C08 | H12 | 176.8° | 65.0° |
| H2 | C11 | C14 | H15 | 161.5° | 98.4° |
| H2 | C11 | C14 | H16 | 40.3° | 24.3° |
| H3 | C12 | C13 | H13 | 3.1° | 37.6° |
| H3 | C12 | C13 | H14 | 117.6° | 160.8° |
| H4 | C12 | C13 | H13 | 124.1° | 85.0° |
| H4 | C12 | C13 | H14 | 3.4° | 38.2° |
| H5 | C01 | C06 | H8 | 0.2° | 0.3° |
| H6 | C03 | C04 | H7 | 0.4° | 0.0° |
| H13 | C13 | C14 | H15 | 21.9° | 85.0° |
| H13 | C13 | C14 | H16 | 99.4° | 37.6° |
| H14 | C13 | C14 | H15 | 142.6° | 38.3° |
| H14 | C13 | C14 | H16 | 21.3° | 160.9° |
