L4M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O16 | C09 | doub | 1.21Å | 1.26Å | |
| C11 | C14 | sing | 1.55Å | 1.65Å | |
| C11 | C08 | sing | 1.53Å | 1.56Å | |
| C11 | C10 | sing | 1.55Å | 1.34Å | |
| C09 | C08 | sing | 1.51Å | 1.53Å | |
| C09 | O15 | sing | 1.34Å | 1.25Å | |
| C07 | C10 | sing | 1.53Å | 1.55Å | |
| C07 | C05 | sing | 1.51Å | 1.52Å | |
| C14 | C13 | sing | 1.54Å | 1.56Å | |
| C06 | C05 | doub | 1.38Å | 1.52Å | Aromatic |
| C06 | C01 | sing | 1.38Å | 1.52Å | Aromatic |
| C13 | C12 | sing | 1.54Å | 1.38Å | |
| C10 | C12 | sing | 1.54Å | 1.69Å | |
| C05 | C04 | sing | 1.38Å | 1.52Å | Aromatic |
| C01 | C02 | doub | 1.40Å | 1.51Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.52Å | Aromatic |
| C02 | C03 | sing | 1.40Å | 1.51Å | Aromatic |
| C02 | C17 | sing | 1.48Å | 1.51Å | |
| O18 | C17 | doub | 1.21Å | 1.26Å | |
| C17 | O19 | sing | 1.35Å | 1.26Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.08Å | 1.08Å | |
| C03 | H5 | sing | 1.08Å | 1.08Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| C06 | H7 | sing | 1.08Å | 1.08Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| O15 | H17 | sing | 0.97Å | 0.95Å | |
| O19 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O16 | C09 | C08 | 120.9° | 120.0° |
| O16 | C09 | O15 | 120.5° | 120.0° |
| C14 | C11 | C08 | 105.6° | 110.8° |
| C14 | C11 | C10 | 105.0° | 102.7° |
| C11 | C14 | C13 | 104.2° | 104.2° |
| C14 | C11 | H12 | 109.1° | 110.8° |
| C11 | C14 | H13 | 110.8° | 110.5° |
| C11 | C14 | H14 | 110.8° | 110.5° |
| C08 | C11 | C10 | 112.5° | 110.7° |
| C11 | C08 | C09 | 113.0° | 109.4° |
| C11 | C08 | H10 | 108.6° | 109.5° |
| C11 | C08 | H11 | 108.6° | 109.5° |
| C08 | C11 | H12 | 110.3° | 110.9° |
| C11 | C10 | C07 | 110.1° | 110.6° |
| C11 | C10 | C12 | 107.1° | 104.2° |
| C11 | C10 | H1 | 113.7° | 110.5° |
| C10 | C11 | H12 | 113.9° | 110.7° |
| C08 | C09 | O15 | 118.5° | 120.0° |
| C09 | C08 | H10 | 108.6° | 109.4° |
| C09 | C08 | H11 | 108.6° | 109.5° |
| C09 | O15 | H17 | 109.5° | 117.1° |
| C10 | C07 | C05 | 112.9° | 109.5° |
| C07 | C10 | C12 | 107.0° | 110.5° |
| C07 | C10 | H1 | 110.3° | 110.4° |
| C10 | C07 | H8 | 108.6° | 109.4° |
| C10 | C07 | H9 | 108.6° | 109.5° |
| C07 | C05 | C06 | 118.1° | 119.8° |
| C07 | C05 | C04 | 121.7° | 119.9° |
| C05 | C07 | H8 | 108.6° | 109.5° |
| C05 | C07 | H9 | 108.6° | 109.5° |
| C14 | C13 | C12 | 106.6° | 106.6° |
| C14 | C13 | H2 | 110.2° | 110.1° |
| C14 | C13 | H3 | 110.2° | 110.1° |
| C13 | C14 | H13 | 110.8° | 110.5° |
| C13 | C14 | H14 | 110.8° | 110.5° |
| C05 | C06 | C01 | 119.3° | 120.2° |
| C06 | C05 | C04 | 120.2° | 120.3° |
| C05 | C06 | H7 | 120.4° | 119.9° |
| C06 | C01 | C02 | 119.7° | 119.9° |
| C06 | C01 | H4 | 120.1° | 120.1° |
| C01 | C06 | H7 | 120.4° | 120.0° |
| C13 | C12 | C10 | 108.3° | 106.6° |
| C12 | C13 | H2 | 110.2° | 110.0° |
| C12 | C13 | H3 | 110.2° | 110.0° |
| C13 | C12 | H15 | 109.8° | 110.0° |
| C13 | C12 | H16 | 109.8° | 110.0° |
| C12 | C10 | H1 | 108.5° | 110.5° |
| C10 | C12 | H15 | 109.7° | 110.0° |
| C10 | C12 | H16 | 109.8° | 110.0° |
| C05 | C04 | C03 | 120.9° | 120.2° |
| C05 | C04 | H6 | 119.5° | 119.9° |
| C01 | C02 | C03 | 121.9° | 119.7° |
| C01 | C02 | C17 | 117.9° | 120.2° |
| C02 | C01 | H4 | 120.1° | 120.1° |
| C04 | C03 | C02 | 118.0° | 119.8° |
| C04 | C03 | H5 | 121.0° | 120.1° |
| C03 | C04 | H6 | 119.6° | 119.9° |
| C03 | C02 | C17 | 120.2° | 120.2° |
| C02 | C03 | H5 | 121.0° | 120.0° |
| C02 | C17 | O18 | 116.7° | 120.0° |
| C02 | C17 | O19 | 120.5° | 120.0° |
| O18 | C17 | O19 | 122.7° | 120.0° |
| C17 | O19 | H18 | 109.5° | 117.0° |
| H2 | C13 | H3 | 109.5° | 110.0° |
| H8 | C07 | H9 | 109.5° | 109.4° |
| H10 | C08 | H11 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 110.6° |
| H15 | C12 | H16 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | C09 | C08 | C11 | 74.6° | 0.0° |
| O16 | C09 | C08 | O15 | 178.1° | 179.9° |
| O16 | C09 | C08 | H10 | 45.9° | 120.0° |
| O16 | C09 | C08 | H11 | 164.9° | 119.9° |
| O16 | C09 | O15 | H17 | 0.0° | 0.1° |
| C14 | C11 | C08 | C10 | 113.9° | 113.3° |
| C14 | C11 | C08 | H12 | 117.8° | 123.4° |
| C14 | C11 | C10 | H12 | 119.3° | 118.3° |
| C14 | C11 | C08 | C09 | 175.3° | 66.5° |
| C14 | C11 | C10 | C07 | 140.6° | 156.7° |
| C11 | C14 | C13 | H13 | 119.2° | 118.7° |
| C11 | C14 | C13 | H14 | 119.1° | 118.7° |
| C11 | C14 | C13 | C12 | 23.3° | 23.6° |
| C14 | C11 | C10 | C12 | 24.6° | 38.0° |
| C14 | C11 | C10 | H1 | 95.1° | 80.8° |
| C11 | C14 | C13 | H2 | 142.9° | 142.9° |
| C11 | C14 | C13 | H3 | 96.3° | 95.6° |
| C14 | C11 | C08 | H10 | 54.8° | 53.5° |
| C14 | C11 | C08 | H11 | 64.1° | 173.6° |
| C11 | C14 | H13 | H14 | 122.5° | 122.6° |
| C08 | C11 | C10 | H12 | 126.4° | 123.4° |
| C11 | C08 | C09 | H10 | 120.5° | 120.0° |
| C11 | C08 | C09 | H11 | 120.5° | 120.0° |
| C11 | C08 | C09 | O15 | 107.3° | 180.0° |
| C08 | C11 | C10 | C07 | 105.1° | 85.0° |
| C08 | C11 | C14 | C13 | 149.9° | 156.2° |
| C08 | C11 | C10 | C12 | 138.9° | 156.2° |
| C08 | C11 | C10 | H1 | 19.1° | 37.5° |
| C11 | C08 | H10 | H11 | 118.4° | 120.0° |
| C08 | C11 | C14 | H13 | 30.7° | 85.1° |
| C08 | C11 | C14 | H14 | 91.0° | 37.5° |
| C10 | C11 | C08 | C09 | 70.7° | 179.8° |
| C11 | C10 | C07 | C12 | 116.0° | 114.9° |
| C11 | C10 | C07 | H1 | 126.2° | 122.5° |
| C11 | C10 | C07 | C05 | 160.4° | 178.7° |
| C10 | C11 | C14 | C13 | 30.8° | 38.0° |
| C11 | C10 | C12 | C13 | 11.1° | 23.6° |
| C11 | C10 | C12 | H1 | 123.0° | 118.7° |
| C11 | C10 | C07 | H8 | 79.1° | 61.3° |
| C11 | C10 | C07 | H9 | 39.9° | 58.6° |
| C10 | C11 | C08 | H10 | 168.7° | 59.8° |
| C10 | C11 | C08 | H11 | 49.8° | 60.3° |
| C10 | C11 | C14 | H13 | 88.3° | 156.6° |
| C10 | C11 | C14 | H14 | 150.0° | 80.7° |
| C11 | C10 | C12 | H15 | 130.9° | 95.6° |
| C11 | C10 | C12 | H16 | 108.7° | 142.9° |
| C09 | C08 | H10 | H11 | 118.4° | 120.0° |
| C09 | C08 | C11 | H12 | 57.6° | 56.9° |
| C08 | C09 | O15 | H17 | 178.1° | 180.0° |
| O15 | C09 | C08 | H10 | 132.2° | 60.0° |
| O15 | C09 | C08 | H11 | 13.3° | 60.0° |
| C10 | C07 | C05 | H8 | 120.5° | 120.0° |
| C10 | C07 | C05 | H9 | 120.5° | 120.0° |
| C10 | C07 | C05 | C06 | 161.2° | 89.7° |
| C07 | C10 | C12 | C13 | 129.1° | 142.4° |
| C07 | C10 | C12 | H1 | 119.0° | 122.5° |
| C10 | C07 | C05 | C04 | 20.1° | 89.9° |
| C10 | C07 | H8 | H9 | 118.4° | 119.9° |
| C07 | C10 | C11 | H12 | 21.3° | 38.4° |
| C07 | C10 | C12 | H15 | 111.1° | 23.2° |
| C07 | C10 | C12 | H16 | 9.3° | 98.3° |
| C07 | C05 | C06 | C04 | 178.7° | 179.7° |
| C07 | C05 | C06 | C01 | 179.3° | 179.7° |
| C05 | C07 | C10 | C12 | 83.6° | 66.4° |
| C07 | C05 | C04 | C03 | 179.4° | 180.0° |
| C05 | C07 | C10 | H1 | 34.2° | 56.2° |
| C07 | C05 | C04 | H6 | 0.7° | 0.0° |
| C07 | C05 | C06 | H7 | 0.7° | 0.3° |
| C05 | C07 | H8 | H9 | 118.5° | 120.0° |
| C14 | C13 | C12 | H2 | 119.6° | 119.3° |
| C14 | C13 | C12 | H3 | 119.5° | 119.3° |
| C14 | C13 | C12 | C10 | 9.5° | 0.0° |
| C14 | C13 | H2 | H3 | 121.3° | 121.5° |
| C13 | C14 | C11 | H12 | 91.6° | 80.3° |
| C13 | C14 | H13 | H14 | 122.4° | 122.6° |
| C14 | C13 | C12 | H15 | 110.3° | 119.3° |
| C14 | C13 | C12 | H16 | 129.3° | 119.3° |
| C05 | C06 | C01 | H7 | 180.0° | 179.5° |
| C05 | C06 | C01 | C02 | 0.2° | 0.6° |
| C06 | C05 | C04 | C03 | 0.7° | 0.3° |
| C05 | C06 | C01 | H4 | 179.9° | 179.7° |
| C06 | C05 | C04 | H6 | 179.3° | 179.7° |
| C06 | C05 | C07 | H8 | 78.3° | 150.3° |
| C06 | C05 | C07 | H9 | 40.8° | 30.3° |
| C01 | C06 | C05 | C04 | 0.6° | 0.6° |
| C06 | C01 | C02 | H4 | 180.0° | 179.7° |
| C06 | C01 | C02 | C03 | 0.2° | 0.3° |
| C06 | C01 | C02 | C17 | 178.3° | 179.8° |
| C13 | C12 | C10 | H15 | 119.8° | 119.3° |
| C13 | C12 | C10 | H16 | 119.8° | 119.3° |
| C13 | C12 | C10 | H1 | 111.9° | 95.1° |
| C12 | C13 | H2 | H3 | 121.3° | 121.4° |
| C12 | C13 | C14 | H13 | 95.9° | 142.3° |
| C12 | C13 | C14 | H14 | 142.4° | 95.0° |
| C13 | C12 | H15 | H16 | 120.5° | 121.4° |
| C10 | C12 | C13 | H2 | 129.0° | 119.3° |
| C10 | C12 | C13 | H3 | 110.1° | 119.3° |
| C12 | C10 | C07 | H8 | 36.9° | 53.6° |
| C12 | C10 | C07 | H9 | 155.9° | 173.5° |
| C12 | C10 | C11 | H12 | 94.7° | 80.3° |
| C10 | C12 | H15 | H16 | 120.5° | 121.4° |
| C05 | C04 | C03 | H6 | 180.0° | 179.9° |
| C05 | C04 | C03 | C02 | 0.4° | 0.1° |
| C05 | C04 | C03 | H5 | 179.6° | 180.0° |
| C04 | C05 | C06 | H7 | 179.4° | 180.0° |
| C04 | C05 | C07 | H8 | 100.4° | 30.0° |
| C04 | C05 | C07 | H9 | 140.6° | 150.0° |
| C01 | C02 | C03 | C04 | 0.0° | 0.1° |
| C01 | C02 | C03 | C17 | 178.5° | 179.9° |
| C01 | C02 | C17 | O18 | 27.0° | 0.1° |
| C01 | C02 | C17 | O19 | 156.4° | 180.0° |
| C01 | C02 | C03 | H5 | 180.0° | 180.0° |
| C02 | C01 | C06 | H7 | 179.8° | 180.0° |
| C04 | C03 | C02 | H5 | 180.0° | 180.0° |
| C04 | C03 | C02 | C17 | 178.4° | 180.0° |
| C03 | C02 | C17 | O18 | 151.5° | 179.9° |
| C03 | C02 | C17 | O19 | 25.1° | 0.1° |
| C03 | C02 | C01 | H4 | 179.8° | 180.0° |
| C02 | C03 | C04 | H6 | 179.6° | 180.0° |
| C02 | C17 | O18 | O19 | 176.5° | 180.0° |
| C17 | C02 | C01 | H4 | 1.7° | 0.1° |
| C17 | C02 | C03 | H5 | 1.5° | 0.1° |
| C02 | C17 | O19 | H18 | 176.4° | 179.9° |
| O18 | C17 | O19 | H18 | 0.0° | 0.0° |
| H1 | C10 | C07 | H8 | 154.7° | 176.2° |
| H1 | C10 | C07 | H9 | 86.3° | 63.9° |
| H1 | C10 | C11 | H12 | 145.5° | 160.9° |
| H1 | C10 | C12 | H15 | 7.9° | 145.7° |
| H1 | C10 | C12 | H16 | 128.2° | 24.2° |
| H2 | C13 | C14 | H13 | 23.7° | 98.4° |
| H2 | C13 | C14 | H14 | 98.0° | 24.2° |
| H2 | C13 | C12 | H15 | 9.2° | 121.4° |
| H2 | C13 | C12 | H16 | 111.2° | 0.0° |
| H3 | C13 | C14 | H13 | 144.6° | 23.0° |
| H3 | C13 | C14 | H14 | 22.9° | 145.7° |
| H3 | C13 | C12 | H15 | 130.1° | 0.1° |
| H3 | C13 | C12 | H16 | 9.7° | 121.4° |
| H4 | C01 | C06 | H7 | 0.2° | 0.3° |
| H5 | C03 | C04 | H6 | 0.4° | 0.0° |
| H10 | C08 | C11 | H12 | 62.9° | 176.9° |
| H11 | C08 | C11 | H12 | 178.1° | 63.0° |
| H12 | C11 | C14 | H13 | 149.2° | 38.3° |
| H12 | C11 | C14 | H14 | 27.5° | 161.0° |
