LS6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O16 | C15 | doub | 1.22Å | 1.22Å | |
| C04 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.43Å | Aromatic |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | C12 | sing | 1.53Å | 1.43Å | |
| C03 | C02 | sing | 1.38Å | 1.40Å | Aromatic |
| O18 | N17 | sing | 1.42Å | 1.40Å | |
| C15 | N17 | sing | 1.35Å | 1.47Å | |
| C15 | C14 | sing | 1.47Å | 1.59Å | |
| C05 | C06 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | N09 | sing | 1.47Å | 1.45Å | |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C13 | C14 | doub | 1.33Å | 1.33Å | |
| C12 | C11 | sing | 1.53Å | 1.46Å | |
| N09 | C08 | sing | 1.47Å | 1.21Å | |
| N09 | C10 | sing | 1.47Å | 1.44Å | |
| C02 | C01 | sing | 1.51Å | 1.56Å | |
| C02 | C07 | doub | 1.38Å | 1.44Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.37Å | Aromatic |
| C01 | C08 | sing | 1.53Å | 1.57Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.08Å | 1.08Å | |
| C04 | H10 | sing | 1.08Å | 1.08Å | |
| C05 | H11 | sing | 1.08Å | 1.08Å | |
| C06 | H12 | sing | 1.08Å | 1.08Å | |
| C07 | H13 | sing | 1.08Å | 1.08Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| N17 | H24 | sing | 0.97Å | 1.00Å | |
| O18 | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O16 | C15 | N17 | 117.9° | 120.0° |
| O16 | C15 | C14 | 121.7° | 120.0° |
| C03 | C04 | C05 | 119.7° | 120.0° |
| C04 | C03 | C02 | 119.9° | 120.0° |
| C04 | C03 | H9 | 120.1° | 120.0° |
| C03 | C04 | H10 | 120.2° | 120.0° |
| C04 | C05 | C06 | 120.5° | 120.0° |
| C05 | C04 | H10 | 120.1° | 120.0° |
| C04 | C05 | H11 | 119.7° | 120.0° |
| C20 | C19 | C12 | 112.4° | 109.3° |
| C19 | C20 | N09 | 114.8° | 109.5° |
| C19 | C20 | H5 | 108.1° | 109.5° |
| C19 | C20 | H6 | 108.1° | 109.5° |
| C20 | C19 | H21 | 108.7° | 109.6° |
| C20 | C19 | H22 | 108.8° | 109.5° |
| C19 | C12 | C13 | 106.3° | 109.6° |
| C19 | C12 | C11 | 111.3° | 109.1° |
| C19 | C12 | H18 | 110.0° | 109.6° |
| C12 | C19 | H21 | 108.7° | 109.5° |
| C12 | C19 | H22 | 108.7° | 109.5° |
| C03 | C02 | C01 | 119.1° | 120.0° |
| C03 | C02 | C07 | 120.5° | 120.0° |
| C02 | C03 | H9 | 120.1° | 120.0° |
| O18 | N17 | C15 | 121.6° | 120.0° |
| O18 | N17 | H24 | 119.2° | 120.0° |
| N17 | O18 | H25 | 109.5° | 114.0° |
| N17 | C15 | C14 | 120.3° | 120.0° |
| C15 | N17 | H24 | 119.2° | 120.0° |
| C15 | C14 | C13 | 107.7° | 120.0° |
| C15 | C14 | H19 | 126.2° | 120.0° |
| C05 | C06 | C07 | 120.0° | 120.1° |
| C06 | C05 | H11 | 119.7° | 120.0° |
| C05 | C06 | H12 | 120.0° | 119.9° |
| C20 | N09 | C08 | 107.3° | 111.0° |
| C20 | N09 | C10 | 113.4° | 111.2° |
| N09 | C20 | H5 | 108.1° | 109.4° |
| N09 | C20 | H6 | 108.2° | 109.5° |
| C12 | C13 | C14 | 117.4° | 120.0° |
| C13 | C12 | C11 | 110.8° | 109.5° |
| C12 | C13 | H3 | 121.3° | 120.0° |
| C13 | C12 | H18 | 108.7° | 109.5° |
| C14 | C13 | H3 | 121.3° | 120.0° |
| C13 | C14 | H19 | 126.1° | 120.0° |
| C12 | C11 | C10 | 111.4° | 109.3° |
| C12 | C11 | H16 | 109.0° | 109.5° |
| C12 | C11 | H17 | 109.0° | 109.5° |
| C11 | C12 | H18 | 109.7° | 109.5° |
| C08 | N09 | C10 | 109.0° | 111.0° |
| N09 | C08 | C01 | 110.9° | 109.4° |
| N09 | C08 | H14 | 109.1° | 109.5° |
| N09 | C08 | H15 | 109.1° | 109.5° |
| N09 | C10 | C11 | 113.0° | 109.5° |
| N09 | C10 | H1 | 108.6° | 109.5° |
| N09 | C10 | H2 | 108.6° | 109.5° |
| C01 | C02 | C07 | 120.4° | 120.0° |
| C02 | C01 | C08 | 111.1° | 109.5° |
| C02 | C01 | H7 | 109.1° | 109.5° |
| C02 | C01 | H8 | 109.1° | 109.4° |
| C02 | C07 | C06 | 119.4° | 120.0° |
| C02 | C07 | H13 | 120.3° | 120.0° |
| C07 | C06 | H12 | 120.0° | 120.0° |
| C06 | C07 | H13 | 120.3° | 120.0° |
| C08 | C01 | H7 | 109.1° | 109.5° |
| C08 | C01 | H8 | 109.0° | 109.5° |
| C01 | C08 | H14 | 109.1° | 109.4° |
| C01 | C08 | H15 | 109.1° | 109.5° |
| C11 | C10 | H1 | 108.6° | 109.5° |
| C11 | C10 | H2 | 108.6° | 109.5° |
| C10 | C11 | H16 | 109.0° | 109.6° |
| C10 | C11 | H17 | 109.0° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H5 | C20 | H6 | 109.5° | 109.4° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H14 | C08 | H15 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.4° | 109.5° |
| H21 | C19 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | C15 | N17 | O18 | 1.0° | 0.0° |
| O16 | C15 | N17 | C14 | 179.2° | 180.0° |
| O16 | C15 | C14 | C13 | 54.1° | 0.0° |
| O16 | C15 | C14 | H19 | 125.9° | 180.0° |
| O16 | C15 | N17 | H24 | 179.0° | 180.0° |
| C03 | C04 | C05 | H10 | 180.0° | 180.0° |
| C04 | C03 | C02 | H9 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.2° | 0.0° |
| C04 | C03 | C02 | C01 | 180.0° | 180.0° |
| C04 | C03 | C02 | C07 | 0.6° | 0.4° |
| C03 | C04 | C05 | H11 | 179.8° | 180.0° |
| C05 | C04 | C03 | C02 | 0.3° | 0.1° |
| C04 | C05 | C06 | H11 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.4° | 0.2° |
| C05 | C04 | C03 | H9 | 179.7° | 180.0° |
| C04 | C05 | C06 | H12 | 179.6° | 180.0° |
| C20 | C19 | C12 | H21 | 120.4° | 120.0° |
| C20 | C19 | C12 | H22 | 120.4° | 120.0° |
| C19 | C20 | N09 | H5 | 120.8° | 120.0° |
| C19 | C20 | N09 | H6 | 120.8° | 120.0° |
| C20 | C19 | C12 | C13 | 174.3° | 177.5° |
| C20 | C19 | C12 | C11 | 53.6° | 57.6° |
| C19 | C20 | N09 | C08 | 164.9° | 174.2° |
| C19 | C20 | N09 | C10 | 44.5° | 61.8° |
| C19 | C20 | H5 | H6 | 117.6° | 120.0° |
| C20 | C19 | C12 | H18 | 68.2° | 62.3° |
| C20 | C19 | H21 | H22 | 118.7° | 120.1° |
| C12 | C19 | C20 | N09 | 47.9° | 59.2° |
| C19 | C12 | C13 | C11 | 121.1° | 119.7° |
| C19 | C12 | C13 | H18 | 118.3° | 120.3° |
| C19 | C12 | C13 | C14 | 150.6° | 120.3° |
| C19 | C12 | C11 | H18 | 122.0° | 120.0° |
| C19 | C12 | C11 | C10 | 56.8° | 57.7° |
| C19 | C12 | C13 | H3 | 29.5° | 59.7° |
| C12 | C19 | C20 | H5 | 168.6° | 179.2° |
| C12 | C19 | C20 | H6 | 72.9° | 60.8° |
| C19 | C12 | C11 | H16 | 177.1° | 62.3° |
| C19 | C12 | C11 | H17 | 63.5° | 177.6° |
| C12 | C19 | H21 | H22 | 118.6° | 120.0° |
| C03 | C02 | C01 | C07 | 179.5° | 179.6° |
| C03 | C02 | C07 | C06 | 0.4° | 0.6° |
| C03 | C02 | C01 | C08 | 49.1° | 89.7° |
| C03 | C02 | C01 | H7 | 71.1° | 30.3° |
| C03 | C02 | C01 | H8 | 169.4° | 150.3° |
| C02 | C03 | C04 | H10 | 179.7° | 179.9° |
| C03 | C02 | C07 | H13 | 179.6° | 179.7° |
| O18 | N17 | C15 | H24 | 180.0° | 180.0° |
| O18 | N17 | C15 | C14 | 179.8° | 180.0° |
| N17 | C15 | C14 | C13 | 125.0° | 180.0° |
| N17 | C15 | C14 | H19 | 55.0° | 0.0° |
| C15 | N17 | O18 | H25 | 0.5° | 180.0° |
| C15 | C14 | C13 | C12 | 179.3° | 180.0° |
| C15 | C14 | C13 | H19 | 180.0° | 180.0° |
| C15 | C14 | C13 | H3 | 0.7° | 0.0° |
| C14 | C15 | N17 | H24 | 0.2° | 0.0° |
| C05 | C06 | C07 | C02 | 0.1° | 0.5° |
| C05 | C06 | C07 | H12 | 180.0° | 179.8° |
| C06 | C05 | C04 | H10 | 179.8° | 180.0° |
| C05 | C06 | C07 | H13 | 179.9° | 179.8° |
| C20 | N09 | C08 | C10 | 123.2° | 124.2° |
| C20 | N09 | C08 | C01 | 141.8° | 170.0° |
| C20 | N09 | C10 | C11 | 47.4° | 61.8° |
| C20 | N09 | C10 | H1 | 167.9° | 58.2° |
| C20 | N09 | C10 | H2 | 73.1° | 178.2° |
| N09 | C20 | H5 | H6 | 117.6° | 120.0° |
| C20 | N09 | C08 | H14 | 21.6° | 70.0° |
| C20 | N09 | C08 | H15 | 98.0° | 50.0° |
| N09 | C20 | C19 | H21 | 168.3° | 179.1° |
| N09 | C20 | C19 | H22 | 72.6° | 60.8° |
| C12 | C13 | C14 | H3 | 180.0° | 180.0° |
| C13 | C12 | C11 | H18 | 120.0° | 120.1° |
| C13 | C12 | C11 | C10 | 174.9° | 177.6° |
| C13 | C12 | C11 | H16 | 64.8° | 57.6° |
| C13 | C12 | C11 | H17 | 54.5° | 62.5° |
| C12 | C13 | C14 | H19 | 0.7° | 0.1° |
| C13 | C12 | C19 | H21 | 65.3° | 62.5° |
| C13 | C12 | C19 | H22 | 53.9° | 57.6° |
| C14 | C13 | C12 | C11 | 88.4° | 120.0° |
| C14 | C13 | C12 | H18 | 32.2° | 0.0° |
| C12 | C11 | C10 | N09 | 53.8° | 59.2° |
| C12 | C11 | C10 | H16 | 120.3° | 119.9° |
| C12 | C11 | C10 | H17 | 120.3° | 120.0° |
| C12 | C11 | C10 | H1 | 174.3° | 60.8° |
| C12 | C11 | C10 | H2 | 66.7° | 179.1° |
| C11 | C12 | C13 | H3 | 91.6° | 60.0° |
| C12 | C11 | H16 | H17 | 119.1° | 120.1° |
| C11 | C12 | C19 | H21 | 174.0° | 177.6° |
| C11 | C12 | C19 | H22 | 66.9° | 62.3° |
| N09 | C08 | C01 | C02 | 135.0° | 180.0° |
| N09 | C08 | C01 | H14 | 120.2° | 120.0° |
| N09 | C08 | C01 | H15 | 120.2° | 120.0° |
| C08 | N09 | C10 | C11 | 166.8° | 174.2° |
| C08 | N09 | C10 | H1 | 72.7° | 65.8° |
| C08 | N09 | C10 | H2 | 46.3° | 54.2° |
| C08 | N09 | C20 | H5 | 74.3° | 54.1° |
| C08 | N09 | C20 | H6 | 44.1° | 65.8° |
| N09 | C08 | C01 | H7 | 14.8° | 60.0° |
| N09 | C08 | C01 | H8 | 104.7° | 60.0° |
| N09 | C08 | H14 | H15 | 119.3° | 120.1° |
| C10 | N09 | C08 | C01 | 95.1° | 65.8° |
| N09 | C10 | C11 | H1 | 120.5° | 120.0° |
| N09 | C10 | C11 | H2 | 120.5° | 120.0° |
| N09 | C10 | H1 | H2 | 118.4° | 120.0° |
| C10 | N09 | C20 | H5 | 165.3° | 178.2° |
| C10 | N09 | C20 | H6 | 76.3° | 58.2° |
| C10 | N09 | C08 | H14 | 144.7° | 54.2° |
| C10 | N09 | C08 | H15 | 25.2° | 174.2° |
| N09 | C10 | C11 | H16 | 174.1° | 60.8° |
| N09 | C10 | C11 | H17 | 66.5° | 179.1° |
| C01 | C02 | C07 | C06 | 179.8° | 179.7° |
| C02 | C01 | C08 | H7 | 120.3° | 120.0° |
| C02 | C01 | C08 | H8 | 120.3° | 119.9° |
| C02 | C01 | H7 | H8 | 119.2° | 119.9° |
| C01 | C02 | C03 | H9 | 0.0° | 0.1° |
| C01 | C02 | C07 | H13 | 0.2° | 0.1° |
| C02 | C01 | C08 | H14 | 14.9° | 60.0° |
| C02 | C01 | C08 | H15 | 104.7° | 60.0° |
| C02 | C07 | C06 | H13 | 180.0° | 179.7° |
| C07 | C02 | C01 | C08 | 131.4° | 90.0° |
| C07 | C02 | C01 | H7 | 108.3° | 150.0° |
| C07 | C02 | C01 | H8 | 11.1° | 30.0° |
| C07 | C02 | C03 | H9 | 179.4° | 179.7° |
| C02 | C07 | C06 | H12 | 179.8° | 179.7° |
| C07 | C06 | C05 | H11 | 179.6° | 179.7° |
| C08 | C01 | H7 | H8 | 119.2° | 120.1° |
| C01 | C08 | H14 | H15 | 119.4° | 120.0° |
| C11 | C10 | H1 | H2 | 118.4° | 120.0° |
| C10 | C11 | H16 | H17 | 119.1° | 120.1° |
| C10 | C11 | C12 | H18 | 65.1° | 62.3° |
| H1 | C10 | C11 | H16 | 65.4° | 179.2° |
| H1 | C10 | C11 | H17 | 54.0° | 59.1° |
| H2 | C10 | C11 | H16 | 53.6° | 59.2° |
| H2 | C10 | C11 | H17 | 173.0° | 60.9° |
| H3 | C13 | C12 | H18 | 147.8° | 179.9° |
| H3 | C13 | C14 | H19 | 179.3° | 180.0° |
| H5 | C20 | C19 | H21 | 70.9° | 60.9° |
| H5 | C20 | C19 | H22 | 48.2° | 59.3° |
| H6 | C20 | C19 | H21 | 47.5° | 59.1° |
| H6 | C20 | C19 | H22 | 166.6° | 179.2° |
| H7 | C01 | C08 | H14 | 105.4° | 180.0° |
| H7 | C01 | C08 | H15 | 135.0° | 60.0° |
| H8 | C01 | C08 | H14 | 135.1° | 59.9° |
| H8 | C01 | C08 | H15 | 15.5° | 179.9° |
| H9 | C03 | C04 | H10 | 0.3° | 0.0° |
| H10 | C04 | C05 | H11 | 0.2° | 0.0° |
| H11 | C05 | C06 | H12 | 0.5° | 0.0° |
| H12 | C06 | C07 | H13 | 0.2° | 0.0° |
| H16 | C11 | C12 | H18 | 55.2° | 177.7° |
| H17 | C11 | C12 | H18 | 174.5° | 57.6° |
| H18 | C12 | C19 | H21 | 52.2° | 57.7° |
| H18 | C12 | C19 | H22 | 171.3° | 177.8° |
| H24 | N17 | O18 | H25 | 179.5° | 0.0° |
