A1L1M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C16 | sing | 1.51Å | 1.52Å | |
| O02 | C16 | doub | 1.22Å | 1.18Å | |
| C16 | C15 | sing | 1.40Å | 1.52Å | |
| C15 | C14 | doub | 1.38Å | 1.52Å | |
| C13 | C14 | sing | 1.40Å | 1.52Å | |
| C13 | C12 | doub | 1.36Å | 1.52Å | |
| C12 | C17 | sing | 1.51Å | 1.52Å | |
| C12 | C11 | sing | 1.41Å | 1.52Å | |
| C11 | C10 | doub | 1.36Å | 1.52Å | |
| C09 | C04 | sing | 1.51Å | 1.52Å | |
| C10 | C05 | sing | 1.42Å | 1.52Å | |
| C04 | C05 | doub | 1.32Å | 1.46Å | |
| C04 | C03 | sing | 1.50Å | 1.48Å | |
| C05 | C06 | sing | 1.51Å | 1.49Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C06 | C08 | sing | 1.53Å | 1.52Å | |
| C06 | C07 | sing | 1.53Å | 1.52Å | |
| C06 | C01 | sing | 1.53Å | 1.55Å | |
| C02 | C01 | sing | 1.53Å | 1.56Å | |
| C02 | O01 | sing | 1.43Å | 1.37Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C02 | H12 | sing | 1.09Å | 1.10Å | |
| C03 | H13 | sing | 1.09Å | 1.10Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| O01 | H17 | sing | 0.97Å | 0.95Å | |
| C07 | H18 | sing | 1.09Å | 1.10Å | |
| C07 | H19 | sing | 1.09Å | 1.10Å | |
| C07 | H20 | sing | 1.09Å | 1.10Å | |
| C08 | H21 | sing | 1.09Å | 1.10Å | |
| C08 | H22 | sing | 1.09Å | 1.10Å | |
| C08 | H23 | sing | 1.09Å | 1.10Å | |
| C09 | H24 | sing | 1.09Å | 1.10Å | |
| C09 | H25 | sing | 1.09Å | 1.10Å | |
| C09 | H26 | sing | 1.09Å | 1.10Å | |
| C11 | H27 | sing | 1.08Å | 1.08Å | |
| C14 | H30 | sing | 1.08Å | 1.08Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C16 | O02 | 119.9° | 120.0° |
| C18 | C16 | C15 | 119.8° | 120.0° |
| C16 | C18 | H32 | 109.5° | 109.4° |
| C16 | C18 | H33 | 109.5° | 109.5° |
| C16 | C18 | H34 | 109.5° | 109.5° |
| O02 | C16 | C15 | 120.3° | 120.0° |
| C16 | C15 | C14 | 111.6° | 120.0° |
| C16 | C15 | H5 | 124.2° | 120.0° |
| C15 | C14 | C13 | 112.0° | 120.0° |
| C14 | C15 | H5 | 124.2° | 120.0° |
| C15 | C14 | H30 | 124.0° | 120.1° |
| C14 | C13 | C12 | 112.3° | 120.0° |
| C14 | C13 | H3 | 123.9° | 120.0° |
| C13 | C14 | H30 | 124.0° | 120.0° |
| C13 | C12 | C17 | 111.9° | 120.0° |
| C13 | C12 | C11 | 112.9° | 120.0° |
| C12 | C13 | H3 | 123.9° | 120.1° |
| C17 | C12 | C11 | 111.3° | 120.0° |
| C12 | C17 | H7 | 109.5° | 109.5° |
| C12 | C17 | H8 | 109.4° | 109.4° |
| C12 | C17 | H9 | 109.5° | 109.5° |
| C12 | C11 | C10 | 111.9° | 120.0° |
| C12 | C11 | H27 | 124.0° | 120.0° |
| C11 | C10 | C05 | 112.4° | 120.0° |
| C11 | C10 | H1 | 123.8° | 120.0° |
| C10 | C11 | H27 | 124.1° | 120.0° |
| C09 | C04 | C05 | 111.5° | 118.1° |
| C09 | C04 | C03 | 109.3° | 118.2° |
| C04 | C09 | H24 | 109.5° | 109.4° |
| C04 | C09 | H25 | 109.5° | 109.5° |
| C04 | C09 | H26 | 109.5° | 109.5° |
| C10 | C05 | C04 | 108.6° | 118.2° |
| C10 | C05 | C06 | 109.1° | 118.0° |
| C05 | C10 | H1 | 123.8° | 120.0° |
| C05 | C04 | C03 | 121.1° | 123.7° |
| C04 | C05 | C06 | 121.0° | 123.8° |
| C04 | C03 | C02 | 111.8° | 110.2° |
| C04 | C03 | H13 | 108.9° | 109.3° |
| C04 | C03 | H14 | 108.9° | 109.3° |
| C05 | C06 | C08 | 109.5° | 109.3° |
| C05 | C06 | C07 | 109.6° | 109.4° |
| C05 | C06 | C01 | 110.5° | 109.9° |
| C03 | C02 | C01 | 108.7° | 108.5° |
| C03 | C02 | O01 | 109.5° | 109.6° |
| C03 | C02 | H12 | 109.1° | 109.8° |
| C02 | C03 | H13 | 108.9° | 109.4° |
| C02 | C03 | H14 | 108.9° | 109.4° |
| C08 | C06 | C07 | 110.4° | 109.4° |
| C08 | C06 | C01 | 107.7° | 109.4° |
| C06 | C08 | H21 | 109.5° | 109.4° |
| C06 | C08 | H22 | 109.5° | 109.4° |
| C06 | C08 | H23 | 109.4° | 109.5° |
| C07 | C06 | C01 | 109.1° | 109.4° |
| C06 | C07 | H18 | 109.5° | 109.5° |
| C06 | C07 | H19 | 109.5° | 109.4° |
| C06 | C07 | H20 | 109.5° | 109.5° |
| C06 | C01 | C02 | 112.3° | 108.7° |
| C06 | C01 | H10 | 108.8° | 109.6° |
| C06 | C01 | H11 | 108.8° | 109.6° |
| C01 | C02 | O01 | 109.3° | 109.7° |
| C02 | C01 | H10 | 108.8° | 109.6° |
| C02 | C01 | H11 | 108.8° | 109.6° |
| C01 | C02 | H12 | 108.7° | 109.6° |
| O01 | C02 | H12 | 111.5° | 109.6° |
| C02 | O01 | H17 | 109.5° | 114.0° |
| H7 | C17 | H8 | 109.5° | 109.5° |
| H7 | C17 | H9 | 109.5° | 109.5° |
| H8 | C17 | H9 | 109.5° | 109.4° |
| H10 | C01 | H11 | 109.4° | 109.6° |
| H13 | C03 | H14 | 109.5° | 109.3° |
| H18 | C07 | H19 | 109.5° | 109.5° |
| H18 | C07 | H20 | 109.5° | 109.5° |
| H19 | C07 | H20 | 109.5° | 109.5° |
| H21 | C08 | H22 | 109.5° | 109.5° |
| H21 | C08 | H23 | 109.5° | 109.5° |
| H22 | C08 | H23 | 109.5° | 109.5° |
| H24 | C09 | H25 | 109.5° | 109.5° |
| H24 | C09 | H26 | 109.5° | 109.4° |
| H25 | C09 | H26 | 109.4° | 109.5° |
| H32 | C18 | H33 | 109.4° | 109.5° |
| H32 | C18 | H34 | 109.5° | 109.5° |
| H33 | C18 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C16 | O02 | C15 | 179.9° | 179.9° |
| C18 | C16 | C15 | C14 | 19.8° | 180.0° |
| C18 | C16 | C15 | H5 | 160.3° | 0.0° |
| C16 | C18 | H32 | H33 | 120.0° | 120.0° |
| C16 | C18 | H32 | H34 | 120.0° | 120.0° |
| C16 | C18 | H33 | H34 | 120.0° | 120.0° |
| O02 | C16 | C15 | C14 | 160.1° | 0.0° |
| O02 | C16 | C15 | H5 | 19.9° | 179.9° |
| O02 | C16 | C18 | H32 | 0.0° | 179.9° |
| O02 | C16 | C18 | H33 | 120.0° | 60.0° |
| O02 | C16 | C18 | H34 | 120.0° | 60.0° |
| C16 | C15 | C14 | H5 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 130.9° | 180.0° |
| C16 | C15 | C14 | H30 | 49.1° | 0.0° |
| C15 | C16 | C18 | H32 | 179.9° | 0.0° |
| C15 | C16 | C18 | H33 | 60.2° | 120.0° |
| C15 | C16 | C18 | H34 | 59.9° | 120.0° |
| C15 | C14 | C13 | H30 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 109.6° | 180.0° |
| C15 | C14 | C13 | H3 | 70.4° | 0.0° |
| C14 | C13 | C12 | H3 | 180.0° | 179.9° |
| C14 | C13 | C12 | C17 | 113.0° | 180.0° |
| C14 | C13 | C12 | C11 | 120.5° | 0.0° |
| C13 | C14 | C15 | H5 | 49.1° | 0.0° |
| C13 | C12 | C17 | C11 | 127.3° | 180.0° |
| C13 | C12 | C11 | C10 | 100.3° | 180.0° |
| C13 | C12 | C17 | H7 | 180.0° | 90.0° |
| C13 | C12 | C17 | H8 | 60.0° | 150.0° |
| C13 | C12 | C17 | H9 | 60.0° | 30.0° |
| C13 | C12 | C11 | H27 | 79.7° | 0.1° |
| C12 | C13 | C14 | H30 | 70.5° | 0.0° |
| C17 | C12 | C11 | C10 | 133.0° | 0.0° |
| C17 | C12 | C13 | H3 | 67.0° | 0.1° |
| C12 | C17 | H7 | H8 | 120.0° | 120.0° |
| C12 | C17 | H7 | H9 | 120.0° | 120.0° |
| C12 | C17 | H8 | H9 | 120.0° | 120.0° |
| C17 | C12 | C11 | H27 | 47.0° | 180.0° |
| C12 | C11 | C10 | H27 | 180.0° | 179.9° |
| C12 | C11 | C10 | C05 | 159.2° | 176.0° |
| C12 | C11 | C10 | H1 | 20.8° | 4.3° |
| C11 | C12 | C13 | H3 | 59.5° | 180.0° |
| C11 | C12 | C17 | H7 | 52.8° | 90.0° |
| C11 | C12 | C17 | H8 | 172.7° | 30.0° |
| C11 | C12 | C17 | H9 | 67.3° | 149.9° |
| C11 | C10 | C05 | H1 | 180.0° | 179.7° |
| C11 | C10 | C05 | C04 | 111.4° | 56.6° |
| C11 | C10 | C05 | C06 | 114.9° | 123.4° |
| C09 | C04 | C05 | C10 | 79.5° | 0.4° |
| C09 | C04 | C05 | C03 | 130.7° | 180.0° |
| C09 | C04 | C05 | C06 | 153.3° | 179.6° |
| C09 | C04 | C03 | C02 | 165.4° | 162.8° |
| C09 | C04 | C03 | H13 | 45.1° | 42.6° |
| C09 | C04 | C03 | H14 | 74.2° | 77.0° |
| C04 | C09 | H24 | H25 | 120.0° | 120.0° |
| C04 | C09 | H24 | H26 | 120.0° | 120.0° |
| C04 | C09 | H25 | H26 | 120.0° | 120.1° |
| C10 | C05 | C04 | C06 | 127.3° | 180.0° |
| C10 | C05 | C04 | C03 | 149.8° | 179.6° |
| C10 | C05 | C06 | C08 | 37.6° | 77.0° |
| C10 | C05 | C06 | C07 | 83.6° | 42.8° |
| C10 | C05 | C06 | C01 | 156.1° | 162.9° |
| C05 | C10 | C11 | H27 | 20.8° | 4.0° |
| C05 | C04 | C03 | C02 | 33.8° | 17.2° |
| C04 | C05 | C06 | C08 | 89.5° | 103.0° |
| C04 | C05 | C06 | C07 | 149.3° | 137.2° |
| C04 | C05 | C06 | C01 | 29.0° | 17.0° |
| C04 | C05 | C10 | H1 | 68.7° | 123.0° |
| C05 | C04 | C03 | H13 | 86.6° | 137.4° |
| C05 | C04 | C03 | H14 | 154.1° | 103.0° |
| C05 | C04 | C09 | H24 | 180.0° | 84.7° |
| C05 | C04 | C09 | H25 | 60.0° | 155.4° |
| C05 | C04 | C09 | H26 | 60.0° | 35.3° |
| C03 | C04 | C05 | C06 | 22.6° | 0.4° |
| C04 | C03 | C02 | H13 | 120.4° | 120.2° |
| C04 | C03 | C02 | H14 | 120.4° | 120.1° |
| C04 | C03 | C02 | C01 | 52.1° | 49.9° |
| C04 | C03 | C02 | O01 | 171.5° | 169.6° |
| C04 | C03 | C02 | H12 | 66.3° | 69.9° |
| C04 | C03 | H13 | H14 | 118.9° | 119.6° |
| C03 | C04 | C09 | H24 | 43.4° | 95.3° |
| C03 | C04 | C09 | H25 | 76.6° | 24.6° |
| C03 | C04 | C09 | H26 | 163.5° | 144.7° |
| C05 | C06 | C08 | C07 | 120.7° | 119.8° |
| C05 | C06 | C08 | C01 | 120.2° | 120.4° |
| C05 | C06 | C07 | C01 | 121.1° | 120.4° |
| C05 | C06 | C01 | C02 | 49.3° | 49.8° |
| C06 | C05 | C10 | H1 | 65.1° | 56.9° |
| C05 | C06 | C01 | H10 | 169.8° | 70.1° |
| C05 | C06 | C01 | H11 | 71.1° | 169.6° |
| C05 | C06 | C07 | H18 | 180.0° | 54.5° |
| C05 | C06 | C07 | H19 | 60.0° | 174.6° |
| C05 | C06 | C07 | H20 | 60.0° | 65.5° |
| C05 | C06 | C08 | H21 | 180.0° | 60.1° |
| C05 | C06 | C08 | H22 | 60.0° | 180.0° |
| C05 | C06 | C08 | H23 | 60.0° | 60.0° |
| C03 | C02 | C01 | C06 | 62.4° | 68.3° |
| C03 | C02 | C01 | O01 | 119.4° | 119.7° |
| C03 | C02 | C01 | H12 | 118.6° | 119.9° |
| C03 | C02 | O01 | H12 | 120.8° | 120.6° |
| C03 | C02 | C01 | H10 | 177.1° | 51.5° |
| C03 | C02 | C01 | H11 | 58.0° | 171.9° |
| C02 | C03 | H13 | H14 | 118.9° | 119.7° |
| C03 | C02 | O01 | H17 | 180.0° | 61.0° |
| C08 | C06 | C07 | C01 | 118.2° | 119.9° |
| C08 | C06 | C01 | C02 | 70.2° | 70.3° |
| C08 | C06 | C01 | H10 | 50.2° | 169.9° |
| C08 | C06 | C01 | H11 | 169.3° | 49.6° |
| C08 | C06 | C07 | H18 | 59.3° | 174.3° |
| C08 | C06 | C07 | H19 | 60.7° | 65.7° |
| C08 | C06 | C07 | H20 | 179.3° | 54.3° |
| C06 | C08 | H21 | H22 | 120.0° | 119.9° |
| C06 | C08 | H21 | H23 | 120.0° | 120.1° |
| C06 | C08 | H22 | H23 | 120.0° | 120.1° |
| C07 | C06 | C01 | C02 | 169.9° | 169.9° |
| C07 | C06 | C01 | H10 | 69.7° | 50.0° |
| C07 | C06 | C01 | H11 | 49.5° | 70.3° |
| C06 | C07 | H18 | H19 | 120.0° | 120.0° |
| C06 | C07 | H18 | H20 | 120.0° | 120.0° |
| C06 | C07 | H19 | H20 | 120.0° | 120.0° |
| C07 | C06 | C08 | H21 | 59.3° | 59.7° |
| C07 | C06 | C08 | H22 | 179.3° | 60.2° |
| C07 | C06 | C08 | H23 | 60.7° | 179.7° |
| C06 | C01 | C02 | H10 | 120.4° | 119.9° |
| C06 | C01 | C02 | H11 | 120.5° | 119.8° |
| C06 | C01 | C02 | O01 | 178.1° | 171.9° |
| C06 | C01 | H10 | H11 | 118.7° | 120.3° |
| C06 | C01 | C02 | H12 | 56.2° | 51.5° |
| C01 | C06 | C07 | H18 | 58.9° | 65.9° |
| C01 | C06 | C07 | H19 | 178.9° | 54.2° |
| C01 | C06 | C07 | H20 | 61.1° | 174.1° |
| C01 | C06 | C08 | H21 | 59.8° | 179.6° |
| C01 | C06 | C08 | H22 | 60.2° | 59.6° |
| C01 | C06 | C08 | H23 | 179.8° | 60.4° |
| C01 | C02 | O01 | H12 | 120.2° | 120.4° |
| C02 | C01 | H10 | H11 | 118.7° | 120.4° |
| C01 | C02 | C03 | H13 | 68.2° | 170.0° |
| C01 | C02 | C03 | H14 | 172.5° | 70.3° |
| C01 | C02 | O01 | H17 | 61.1° | 180.0° |
| O01 | C02 | C01 | H10 | 57.7° | 68.2° |
| O01 | C02 | C01 | H11 | 61.4° | 52.2° |
| O01 | C02 | C03 | H13 | 51.1° | 70.2° |
| O01 | C02 | C03 | H14 | 68.2° | 49.5° |
| H1 | C10 | C11 | H27 | 159.2° | 175.7° |
| H3 | C13 | C14 | H30 | 109.5° | 179.9° |
| H5 | C15 | C14 | H30 | 130.9° | 179.9° |
| H7 | C17 | H8 | H9 | 120.0° | 120.0° |
| H10 | C01 | C02 | H12 | 64.2° | 171.4° |
| H11 | C01 | C02 | H12 | 176.7° | 68.2° |
| H12 | C02 | C03 | H13 | 173.3° | 50.3° |
| H12 | C02 | C03 | H14 | 54.1° | 170.0° |
| H12 | C02 | O01 | H17 | 59.2° | 59.6° |
| H18 | C07 | H19 | H20 | 120.0° | 120.0° |
| H21 | C08 | H22 | H23 | 120.0° | 120.0° |
| H24 | C09 | H25 | H26 | 120.0° | 120.0° |
| H32 | C18 | H33 | H34 | 120.0° | 120.0° |
