LAX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.25Å | |
| C1 | O2 | sing | 1.34Å | 1.25Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C8 | C9 | doub | 1.31Å | 1.37Å | |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | C10 | sing | 1.51Å | 1.50Å | |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C11 | C12 | doub | 1.31Å | 1.39Å | |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | C13 | sing | 1.51Å | 1.48Å | |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C14 | C15 | doub | 1.31Å | 1.37Å | |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | sing | 1.51Å | 1.55Å | |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.09Å | 1.12Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C20 | H203 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 123.6° | 120.0° |
| O1 | C1 | C2 | 119.1° | 119.9° |
| O2 | C1 | C2 | 117.3° | 120.1° |
| C1 | O2 | HO2 | 123.6° | 120.0° |
| C1 | C2 | C3 | 110.8° | 109.6° |
| C1 | C2 | H21 | 111.7° | 109.5° |
| C1 | C2 | H22 | 111.7° | 109.5° |
| C3 | C2 | H21 | 111.7° | 109.4° |
| C3 | C2 | H22 | 111.7° | 109.5° |
| C2 | C3 | C4 | 110.4° | 109.5° |
| C2 | C3 | H31 | 111.9° | 109.4° |
| C2 | C3 | H32 | 111.8° | 109.4° |
| H21 | C2 | H22 | 98.7° | 109.4° |
| C4 | C3 | H31 | 111.8° | 109.5° |
| C4 | C3 | H32 | 111.8° | 109.4° |
| C3 | C4 | C5 | 111.3° | 109.5° |
| C3 | C4 | H41 | 111.5° | 109.5° |
| C3 | C4 | H42 | 111.6° | 109.5° |
| H31 | C3 | H32 | 98.6° | 109.5° |
| C5 | C4 | H41 | 111.5° | 109.5° |
| C5 | C4 | H42 | 111.5° | 109.5° |
| C4 | C5 | C6 | 110.3° | 109.5° |
| C4 | C5 | H51 | 111.9° | 109.5° |
| C4 | C5 | H52 | 111.9° | 109.4° |
| H41 | C4 | H42 | 98.8° | 109.4° |
| C6 | C5 | H51 | 111.9° | 109.4° |
| C6 | C5 | H52 | 111.9° | 109.4° |
| C5 | C6 | C7 | 112.5° | 109.5° |
| C5 | C6 | H61 | 111.1° | 109.5° |
| C5 | C6 | H62 | 111.1° | 109.5° |
| H51 | C5 | H52 | 98.6° | 109.6° |
| C7 | C6 | H61 | 111.1° | 109.5° |
| C7 | C6 | H62 | 111.0° | 109.4° |
| C6 | C7 | C8 | 121.4° | 109.5° |
| C6 | C7 | H71 | 108.0° | 109.5° |
| C6 | C7 | H72 | 108.0° | 109.4° |
| H61 | C6 | H62 | 99.3° | 109.5° |
| C8 | C7 | H71 | 107.9° | 109.5° |
| C8 | C7 | H72 | 108.0° | 109.4° |
| C7 | C8 | C9 | 120.8° | 120.1° |
| C7 | C8 | H8 | 124.4° | 120.0° |
| H71 | C7 | H72 | 101.9° | 109.5° |
| C9 | C8 | H8 | 114.8° | 120.0° |
| C8 | C9 | C10 | 120.9° | 119.9° |
| C8 | C9 | H9 | 115.1° | 120.0° |
| C10 | C9 | H9 | 124.0° | 120.0° |
| C9 | C10 | C11 | 118.4° | 109.4° |
| C9 | C10 | H101 | 109.0° | 109.4° |
| C9 | C10 | H102 | 109.0° | 109.4° |
| C11 | C10 | H101 | 109.0° | 109.6° |
| C11 | C10 | H102 | 109.0° | 109.5° |
| C10 | C11 | C12 | 121.9° | 120.0° |
| C10 | C11 | H11 | 124.0° | 120.0° |
| H101 | C10 | H102 | 101.1° | 109.5° |
| C12 | C11 | H11 | 114.1° | 120.0° |
| C11 | C12 | C13 | 121.9° | 120.0° |
| C11 | C12 | H12 | 115.8° | 120.0° |
| C13 | C12 | H12 | 122.4° | 120.0° |
| C12 | C13 | C14 | 118.7° | 109.5° |
| C12 | C13 | H131 | 108.9° | 109.4° |
| C12 | C13 | H132 | 108.9° | 109.5° |
| C14 | C13 | H131 | 108.9° | 109.5° |
| C14 | C13 | H132 | 108.8° | 109.5° |
| C13 | C14 | C15 | 119.3° | 120.0° |
| C13 | C14 | H14 | 125.5° | 120.0° |
| H131 | C13 | H132 | 101.2° | 109.5° |
| C15 | C14 | H14 | 115.2° | 120.0° |
| C14 | C15 | C16 | 119.2° | 120.0° |
| C14 | C15 | H15 | 114.3° | 120.1° |
| C16 | C15 | H15 | 126.6° | 119.9° |
| C15 | C16 | C17 | 122.6° | 109.5° |
| C15 | C16 | H161 | 107.6° | 109.4° |
| C15 | C16 | H162 | 107.6° | 109.5° |
| C17 | C16 | H161 | 107.5° | 109.5° |
| C17 | C16 | H162 | 107.5° | 109.4° |
| C16 | C17 | C18 | 112.1° | 109.5° |
| C16 | C17 | H171 | 111.3° | 109.5° |
| C16 | C17 | H172 | 111.3° | 109.5° |
| H161 | C16 | H162 | 102.3° | 109.5° |
| C18 | C17 | H171 | 111.2° | 109.4° |
| C18 | C17 | H172 | 111.2° | 109.5° |
| C17 | C18 | C19 | 112.3° | 109.5° |
| C17 | C18 | H181 | 111.2° | 109.4° |
| C17 | C18 | H182 | 111.2° | 109.5° |
| H171 | C17 | H172 | 99.1° | 109.4° |
| C19 | C18 | H181 | 111.2° | 109.5° |
| C19 | C18 | H182 | 111.2° | 109.5° |
| C18 | C19 | C20 | 113.3° | 109.5° |
| C18 | C19 | H191 | 110.8° | 109.5° |
| C18 | C19 | H192 | 110.8° | 109.5° |
| H181 | C18 | H182 | 99.2° | 109.5° |
| C20 | C19 | H191 | 110.8° | 109.4° |
| C20 | C19 | H192 | 110.8° | 109.5° |
| C19 | C20 | H201 | 113.3° | 109.4° |
| C19 | C20 | H202 | 110.8° | 109.5° |
| C19 | C20 | H203 | 110.8° | 109.5° |
| H191 | C19 | H192 | 99.5° | 109.5° |
| H201 | C20 | H202 | 110.8° | 109.5° |
| H201 | C20 | H203 | 110.8° | 109.4° |
| H202 | C20 | H203 | 99.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 179.3° | 180.0° |
| O1 | C1 | O2 | HO2 | 179.9° | 0.0° |
| O1 | C1 | C2 | C3 | 124.1° | 0.0° |
| O1 | C1 | C2 | H21 | 110.6° | 120.0° |
| O1 | C1 | C2 | H22 | 1.1° | 120.1° |
| O2 | C1 | C2 | C3 | 55.3° | 180.0° |
| O2 | C1 | C2 | H21 | 70.0° | 60.0° |
| O2 | C1 | C2 | H22 | 179.5° | 59.9° |
| C2 | C1 | O2 | HO2 | 0.6° | 180.0° |
| C1 | C2 | C3 | H21 | 125.3° | 120.0° |
| C1 | C2 | C3 | H22 | 125.2° | 120.1° |
| C1 | C2 | H21 | H22 | 117.6° | 119.9° |
| C1 | C2 | C3 | C4 | 145.3° | 179.9° |
| C1 | C2 | C3 | H31 | 20.1° | 60.0° |
| C1 | C2 | C3 | H32 | 89.5° | 60.0° |
| C3 | C2 | H21 | H22 | 117.6° | 120.0° |
| C2 | C3 | C4 | H31 | 125.2° | 120.0° |
| C2 | C3 | C4 | H32 | 125.2° | 120.0° |
| C2 | C3 | H31 | H32 | 117.8° | 119.9° |
| C2 | C3 | C4 | C5 | 80.8° | 180.0° |
| C2 | C3 | C4 | H41 | 44.5° | 60.0° |
| C2 | C3 | C4 | H42 | 154.0° | 60.0° |
| H21 | C2 | C3 | C4 | 89.4° | 59.9° |
| H21 | C2 | C3 | H31 | 145.4° | 180.0° |
| H21 | C2 | C3 | H32 | 35.8° | 60.1° |
| H22 | C2 | C3 | C4 | 20.1° | 60.0° |
| H22 | C2 | C3 | H31 | 105.2° | 60.1° |
| H22 | C2 | C3 | H32 | 145.3° | 179.9° |
| C4 | C3 | H31 | H32 | 117.7° | 120.0° |
| C3 | C4 | C5 | H41 | 125.3° | 120.1° |
| C3 | C4 | C5 | H42 | 125.3° | 120.0° |
| C3 | C4 | H41 | H42 | 117.4° | 120.0° |
| C3 | C4 | C5 | C6 | 118.6° | 180.0° |
| C3 | C4 | C5 | H51 | 6.7° | 60.0° |
| C3 | C4 | C5 | H52 | 116.2° | 60.1° |
| H31 | C3 | C4 | C5 | 154.0° | 60.0° |
| H31 | C3 | C4 | H41 | 80.7° | 179.9° |
| H31 | C3 | C4 | H42 | 28.7° | 60.0° |
| H32 | C3 | C4 | C5 | 44.5° | 60.0° |
| H32 | C3 | C4 | H41 | 169.8° | 60.0° |
| H32 | C3 | C4 | H42 | 80.8° | 180.0° |
| C5 | C4 | H41 | H42 | 117.4° | 119.9° |
| C4 | C5 | C6 | H51 | 125.3° | 120.0° |
| C4 | C5 | C6 | H52 | 125.2° | 119.9° |
| C4 | C5 | H51 | H52 | 117.8° | 120.0° |
| C4 | C5 | C6 | C7 | 63.8° | 180.0° |
| C4 | C5 | C6 | H61 | 61.4° | 60.0° |
| C4 | C5 | C6 | H62 | 170.9° | 60.0° |
| H41 | C4 | C5 | C6 | 116.1° | 59.9° |
| H41 | C4 | C5 | H51 | 118.6° | 179.9° |
| H41 | C4 | C5 | H52 | 9.1° | 60.0° |
| H42 | C4 | C5 | C6 | 6.7° | 60.0° |
| H42 | C4 | C5 | H51 | 132.0° | 60.0° |
| H42 | C4 | C5 | H52 | 118.5° | 179.9° |
| C6 | C5 | H51 | H52 | 117.8° | 120.0° |
| C5 | C6 | C7 | H61 | 125.2° | 120.0° |
| C5 | C6 | C7 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 117.1° | 120.0° |
| C5 | C6 | C7 | C8 | 64.3° | 180.0° |
| C5 | C6 | C7 | H71 | 170.5° | 60.0° |
| C5 | C6 | C7 | H72 | 61.0° | 60.1° |
| H51 | C5 | C6 | C7 | 170.9° | 60.0° |
| H51 | C5 | C6 | H61 | 63.9° | 179.9° |
| H51 | C5 | C6 | H62 | 45.7° | 59.9° |
| H52 | C5 | C6 | C7 | 61.4° | 60.1° |
| H52 | C5 | C6 | H61 | 173.4° | 60.0° |
| H52 | C5 | C6 | H62 | 63.8° | 180.0° |
| C7 | C6 | H61 | H62 | 116.9° | 120.0° |
| C6 | C7 | C8 | H71 | 125.3° | 120.0° |
| C6 | C7 | C8 | H72 | 125.3° | 119.9° |
| C6 | C7 | H71 | H72 | 113.6° | 120.0° |
| C6 | C7 | C8 | C9 | 125.3° | 126.9° |
| C6 | C7 | C8 | H8 | 54.7° | 53.1° |
| H61 | C6 | C7 | C8 | 61.0° | 60.0° |
| H61 | C6 | C7 | H71 | 64.3° | 180.0° |
| H61 | C6 | C7 | H72 | 173.8° | 60.0° |
| H62 | C6 | C7 | C8 | 170.5° | 60.0° |
| H62 | C6 | C7 | H71 | 45.2° | 60.0° |
| H62 | C6 | C7 | H72 | 64.3° | 180.0° |
| C8 | C7 | H71 | H72 | 113.5° | 120.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.2° | 5.2° |
| C7 | C8 | C9 | H9 | 179.8° | 174.8° |
| H71 | C7 | C8 | C9 | 109.4° | 113.1° |
| H71 | C7 | C8 | H8 | 70.6° | 67.0° |
| H72 | C7 | C8 | C9 | 0.0° | 7.0° |
| H72 | C7 | C8 | H8 | 180.0° | 173.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 61.5° | 127.0° |
| C8 | C9 | C10 | H101 | 63.8° | 6.9° |
| C8 | C9 | C10 | H102 | 173.3° | 113.1° |
| H8 | C8 | C9 | C10 | 179.8° | 174.8° |
| H8 | C8 | C9 | H9 | 0.2° | 5.2° |
| C9 | C10 | C11 | H101 | 125.3° | 120.0° |
| C9 | C10 | C11 | H102 | 125.2° | 119.9° |
| C9 | C10 | H101 | H102 | 114.7° | 119.9° |
| C9 | C10 | C11 | C12 | 140.4° | 127.8° |
| C9 | C10 | C11 | H11 | 39.6° | 52.3° |
| H9 | C9 | C10 | C11 | 118.5° | 53.0° |
| H9 | C9 | C10 | H101 | 116.2° | 173.1° |
| H9 | C9 | C10 | H102 | 6.7° | 66.9° |
| C11 | C10 | H101 | H102 | 114.7° | 120.1° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.1° | 7.5° |
| C10 | C11 | C12 | H12 | 179.9° | 172.5° |
| H101 | C10 | C11 | C12 | 94.3° | 112.2° |
| H101 | C10 | C11 | H11 | 85.7° | 67.7° |
| H102 | C10 | C11 | C12 | 15.2° | 7.8° |
| H102 | C10 | C11 | H11 | 164.8° | 172.2° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 123.0° | 127.1° |
| C11 | C12 | C13 | H131 | 2.3° | 7.2° |
| C11 | C12 | C13 | H132 | 111.7° | 112.8° |
| H11 | C11 | C12 | C13 | 179.9° | 172.4° |
| H11 | C11 | C12 | H12 | 0.1° | 7.6° |
| C12 | C13 | C14 | H131 | 125.3° | 119.9° |
| C12 | C13 | C14 | H132 | 125.3° | 120.0° |
| C12 | C13 | H131 | H132 | 114.6° | 120.0° |
| C12 | C13 | C14 | C15 | 179.5° | 127.7° |
| C12 | C13 | C14 | H14 | 0.4° | 52.2° |
| H12 | C12 | C13 | C14 | 57.0° | 52.9° |
| H12 | C12 | C13 | H131 | 177.7° | 172.9° |
| H12 | C12 | C13 | H132 | 68.2° | 67.1° |
| C14 | C13 | H131 | H132 | 114.5° | 120.0° |
| C13 | C14 | C15 | H14 | 179.9° | 179.9° |
| C13 | C14 | C15 | C16 | 0.5° | 7.6° |
| C13 | C14 | C15 | H15 | 179.5° | 172.4° |
| H131 | C13 | C14 | C15 | 55.2° | 112.3° |
| H131 | C13 | C14 | H14 | 124.9° | 67.8° |
| H132 | C13 | C14 | C15 | 54.2° | 7.7° |
| H132 | C13 | C14 | H14 | 125.7° | 172.2° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 132.4° | 127.1° |
| C14 | C15 | C16 | H161 | 102.4° | 7.2° |
| C14 | C15 | C16 | H162 | 7.2° | 112.9° |
| H14 | C14 | C15 | C16 | 179.6° | 172.5° |
| H14 | C14 | C15 | H15 | 0.5° | 7.5° |
| C15 | C16 | C17 | H161 | 125.3° | 120.0° |
| C15 | C16 | C17 | H162 | 125.3° | 120.0° |
| C15 | C16 | H161 | H162 | 113.2° | 120.0° |
| C15 | C16 | C17 | C18 | 67.8° | 180.0° |
| C15 | C16 | C17 | H171 | 166.9° | 60.0° |
| C15 | C16 | C17 | H172 | 57.5° | 60.0° |
| H15 | C15 | C16 | C17 | 47.6° | 52.8° |
| H15 | C15 | C16 | H161 | 77.7° | 172.8° |
| H15 | C15 | C16 | H162 | 172.8° | 67.2° |
| C17 | C16 | H161 | H162 | 113.1° | 120.0° |
| C16 | C17 | C18 | H171 | 125.3° | 120.0° |
| C16 | C17 | C18 | H172 | 125.3° | 120.1° |
| C16 | C17 | H171 | H172 | 117.1° | 120.1° |
| C16 | C17 | C18 | C19 | 172.2° | 180.0° |
| C16 | C17 | C18 | H181 | 62.5° | 60.0° |
| C16 | C17 | C18 | H182 | 47.0° | 60.0° |
| H161 | C16 | C17 | C18 | 57.5° | 60.1° |
| H161 | C16 | C17 | H171 | 67.8° | 180.0° |
| H161 | C16 | C17 | H172 | 177.3° | 60.0° |
| H162 | C16 | C17 | C18 | 166.9° | 60.0° |
| H162 | C16 | C17 | H171 | 41.7° | 59.9° |
| H162 | C16 | C17 | H172 | 67.8° | 179.9° |
| C18 | C17 | H171 | H172 | 117.1° | 119.9° |
| C17 | C18 | C19 | H181 | 125.3° | 120.0° |
| C17 | C18 | C19 | H182 | 125.3° | 120.1° |
| C17 | C18 | H181 | H182 | 117.1° | 120.0° |
| C17 | C18 | C19 | C20 | 54.0° | 180.0° |
| C17 | C18 | C19 | H191 | 71.2° | 60.1° |
| C17 | C18 | C19 | H192 | 179.3° | 60.0° |
| H171 | C17 | C18 | C19 | 46.9° | 60.0° |
| H171 | C17 | C18 | H181 | 172.2° | 180.0° |
| H171 | C17 | C18 | H182 | 78.3° | 60.0° |
| H172 | C17 | C18 | C19 | 62.5° | 59.9° |
| H172 | C17 | C18 | H181 | 62.8° | 60.1° |
| H172 | C17 | C18 | H182 | 172.3° | 179.9° |
| C19 | C18 | H181 | H182 | 117.0° | 120.0° |
| C18 | C19 | C20 | H191 | 125.3° | 120.0° |
| C18 | C19 | C20 | H192 | 125.3° | 120.0° |
| C18 | C19 | H191 | H192 | 116.7° | 120.0° |
| C18 | C19 | C20 | H201 | 180.0° | 180.0° |
| C18 | C19 | C20 | H202 | 54.8° | 60.0° |
| C18 | C19 | C20 | H203 | 54.8° | 60.0° |
| H181 | C18 | C19 | C20 | 179.3° | 60.0° |
| H181 | C18 | C19 | H191 | 54.0° | 180.0° |
| H181 | C18 | C19 | H192 | 55.5° | 60.0° |
| H182 | C18 | C19 | C20 | 71.2° | 60.0° |
| H182 | C18 | C19 | H191 | 163.5° | 60.0° |
| H182 | C18 | C19 | H192 | 54.0° | 179.9° |
| C20 | C19 | H191 | H192 | 116.6° | 120.0° |
| C19 | C20 | H201 | H202 | 125.2° | 120.1° |
| C19 | C20 | H201 | H203 | 125.2° | 120.0° |
| C19 | C20 | H202 | H203 | 116.7° | 120.0° |
| H191 | C19 | C20 | H201 | 54.7° | 60.1° |
| H191 | C19 | C20 | H202 | 179.9° | 60.0° |
| H191 | C19 | C20 | H203 | 70.5° | 180.0° |
| H192 | C19 | C20 | H201 | 54.7° | 60.0° |
| H192 | C19 | C20 | H202 | 70.5° | 180.0° |
| H192 | C19 | C20 | H203 | 179.9° | 59.9° |
| H201 | C20 | H202 | H203 | 116.7° | 120.0° |
