LKZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | C5 | doub | 1.21Å | 1.22Å | |
| C8 | C7 | sing | 1.51Å | 1.53Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C6 | C5 | sing | 1.51Å | 1.53Å | |
| O20 | C9 | doub | 1.21Å | 1.22Å | |
| C7 | O21 | doub | 1.21Å | 1.21Å | |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C9 | C2 | sing | 1.51Å | 1.53Å | |
| C23 | C22 | sing | 1.51Å | 1.52Å | |
| O24 | C22 | doub | 1.21Å | 1.22Å | |
| O23 | C3 | doub | 1.21Å | 1.22Å | |
| C22 | C4 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C3 | C10 | sing | 1.51Å | 1.52Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | O19 | doub | 1.21Å | 1.22Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O22 | C5 | C6 | 122.6° | 120.0° |
| O22 | C5 | C4 | 120.1° | 120.0° |
| C7 | C8 | C9 | 106.9° | 109.5° |
| C8 | C7 | C6 | 119.8° | 120.0° |
| C8 | C7 | O21 | 120.6° | 120.0° |
| C7 | C8 | H5 | 110.1° | 109.5° |
| C7 | C8 | H6 | 110.1° | 109.5° |
| C8 | C9 | O20 | 119.4° | 120.0° |
| C8 | C9 | C2 | 119.4° | 120.0° |
| C9 | C8 | H5 | 110.1° | 109.5° |
| C9 | C8 | H6 | 110.1° | 109.5° |
| C7 | C6 | C5 | 108.7° | 109.5° |
| C6 | C7 | O21 | 119.6° | 120.0° |
| C7 | C6 | H3 | 109.6° | 109.5° |
| C7 | C6 | H4 | 109.7° | 109.4° |
| C6 | C5 | C4 | 117.3° | 120.0° |
| C5 | C6 | H3 | 109.7° | 109.5° |
| C5 | C6 | H4 | 109.7° | 109.4° |
| O20 | C9 | C2 | 121.0° | 120.0° |
| C5 | C4 | C22 | 107.8° | 109.5° |
| C5 | C4 | H1 | 109.9° | 109.5° |
| C5 | C4 | H2 | 109.9° | 109.5° |
| C9 | C2 | C3 | 110.2° | 109.4° |
| C9 | C2 | H10 | 109.3° | 109.5° |
| C9 | C2 | H11 | 109.3° | 109.5° |
| C23 | C22 | O24 | 121.9° | 120.0° |
| C23 | C22 | C4 | 115.8° | 120.0° |
| C22 | C23 | H12 | 109.5° | 109.5° |
| C22 | C23 | H13 | 109.4° | 109.5° |
| C22 | C23 | H14 | 109.4° | 109.5° |
| O24 | C22 | C4 | 122.3° | 119.9° |
| O23 | C3 | C2 | 122.0° | 120.0° |
| O23 | C3 | C10 | 120.4° | 120.0° |
| C22 | C4 | H1 | 109.9° | 109.5° |
| C22 | C4 | H2 | 109.9° | 109.5° |
| C2 | C3 | C10 | 117.3° | 120.0° |
| C3 | C2 | H10 | 109.3° | 109.5° |
| C3 | C2 | H11 | 109.3° | 109.4° |
| C3 | C10 | C11 | 103.6° | 109.5° |
| C3 | C10 | H7 | 110.9° | 109.4° |
| C3 | C10 | H8 | 110.9° | 109.5° |
| C10 | C11 | O19 | 122.4° | 120.0° |
| C11 | C10 | H7 | 110.9° | 109.5° |
| C11 | C10 | H8 | 110.9° | 109.5° |
| C10 | C11 | H9 | 118.8° | 120.0° |
| O19 | C11 | H9 | 118.8° | 120.0° |
| H1 | C4 | H2 | 109.4° | 109.4° |
| H3 | C6 | H4 | 109.4° | 109.5° |
| H5 | C8 | H6 | 109.5° | 109.4° |
| H7 | C10 | H8 | 109.5° | 109.4° |
| H10 | C2 | H11 | 109.5° | 109.5° |
| H12 | C23 | H13 | 109.5° | 109.5° |
| H12 | C23 | H14 | 109.4° | 109.4° |
| H13 | C23 | H14 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | C5 | C6 | C7 | 71.1° | 0.0° |
| O22 | C5 | C6 | C4 | 178.5° | 180.0° |
| O22 | C5 | C4 | C22 | 79.4° | 0.0° |
| O22 | C5 | C4 | H1 | 40.4° | 120.0° |
| O22 | C5 | C4 | H2 | 160.9° | 120.0° |
| O22 | C5 | C6 | H3 | 169.0° | 120.0° |
| O22 | C5 | C6 | H4 | 48.8° | 120.0° |
| C7 | C8 | C9 | H5 | 119.6° | 120.1° |
| C7 | C8 | C9 | H6 | 119.6° | 120.0° |
| C8 | C7 | C6 | O21 | 177.1° | 179.9° |
| C8 | C7 | C6 | C5 | 176.2° | 180.0° |
| C7 | C8 | C9 | O20 | 65.7° | 0.0° |
| C7 | C8 | C9 | C2 | 109.6° | 180.0° |
| C8 | C7 | C6 | H3 | 63.9° | 60.0° |
| C8 | C7 | C6 | H4 | 56.3° | 60.0° |
| C7 | C8 | H5 | H6 | 121.2° | 120.0° |
| C9 | C8 | C7 | C6 | 172.1° | 180.0° |
| C8 | C9 | O20 | C2 | 175.2° | 180.0° |
| C9 | C8 | C7 | O21 | 4.9° | 0.0° |
| C8 | C9 | C2 | C3 | 163.7° | 180.0° |
| C9 | C8 | H5 | H6 | 121.2° | 120.0° |
| C8 | C9 | C2 | H10 | 43.6° | 60.0° |
| C8 | C9 | C2 | H11 | 76.2° | 60.0° |
| C7 | C6 | C5 | H3 | 119.9° | 120.0° |
| C7 | C6 | C5 | H4 | 119.9° | 120.0° |
| C7 | C6 | C5 | C4 | 110.4° | 180.0° |
| C7 | C6 | H3 | H4 | 120.3° | 120.0° |
| C6 | C7 | C8 | H5 | 68.2° | 59.9° |
| C6 | C7 | C8 | H6 | 52.6° | 60.0° |
| C5 | C6 | C7 | O21 | 6.7° | 0.1° |
| C6 | C5 | C4 | C22 | 99.1° | 180.0° |
| C6 | C5 | C4 | H1 | 141.1° | 60.0° |
| C6 | C5 | C4 | H2 | 20.6° | 59.9° |
| C5 | C6 | H3 | H4 | 120.3° | 120.0° |
| O20 | C9 | C2 | C3 | 21.1° | 0.0° |
| O20 | C9 | C8 | H5 | 53.9° | 120.0° |
| O20 | C9 | C8 | H6 | 174.7° | 120.0° |
| O20 | C9 | C2 | H10 | 141.2° | 120.0° |
| O20 | C9 | C2 | H11 | 99.0° | 120.0° |
| O21 | C7 | C6 | H3 | 113.2° | 119.9° |
| O21 | C7 | C6 | H4 | 126.6° | 120.0° |
| O21 | C7 | C8 | H5 | 114.7° | 120.0° |
| O21 | C7 | C8 | H6 | 124.5° | 120.1° |
| C5 | C4 | C22 | C23 | 84.3° | 180.0° |
| C5 | C4 | C22 | O24 | 95.9° | 0.0° |
| C5 | C4 | C22 | H1 | 119.8° | 120.0° |
| C5 | C4 | C22 | H2 | 119.8° | 120.0° |
| C5 | C4 | H1 | H2 | 120.8° | 120.0° |
| C4 | C5 | C6 | H3 | 9.4° | 60.0° |
| C4 | C5 | C6 | H4 | 129.6° | 60.0° |
| C9 | C2 | C3 | O23 | 19.2° | 0.0° |
| C9 | C2 | C3 | H10 | 120.1° | 120.0° |
| C9 | C2 | C3 | H11 | 120.1° | 120.0° |
| C9 | C2 | C3 | C10 | 166.6° | 180.0° |
| C2 | C9 | C8 | H5 | 130.7° | 60.0° |
| C2 | C9 | C8 | H6 | 10.0° | 60.0° |
| C9 | C2 | H10 | H11 | 119.6° | 120.0° |
| C23 | C22 | O24 | C4 | 179.8° | 180.0° |
| C23 | C22 | C4 | H1 | 155.9° | 60.0° |
| C23 | C22 | C4 | H2 | 35.4° | 60.0° |
| C22 | C23 | H12 | H13 | 120.0° | 120.0° |
| C22 | C23 | H12 | H14 | 120.0° | 120.0° |
| C22 | C23 | H13 | H14 | 120.0° | 120.0° |
| O24 | C22 | C4 | H1 | 23.9° | 120.0° |
| O24 | C22 | C4 | H2 | 144.4° | 120.0° |
| O24 | C22 | C23 | H12 | 0.0° | 90.0° |
| O24 | C22 | C23 | H13 | 120.0° | 30.0° |
| O24 | C22 | C23 | H14 | 120.0° | 150.0° |
| O23 | C3 | C2 | C10 | 174.1° | 180.0° |
| O23 | C3 | C10 | C11 | 126.3° | 0.0° |
| O23 | C3 | C10 | H7 | 114.6° | 120.0° |
| O23 | C3 | C10 | H8 | 7.2° | 120.0° |
| O23 | C3 | C2 | H10 | 100.9° | 120.0° |
| O23 | C3 | C2 | H11 | 139.3° | 120.0° |
| C22 | C4 | H1 | H2 | 120.7° | 120.0° |
| C4 | C22 | C23 | H12 | 179.8° | 90.0° |
| C4 | C22 | C23 | H13 | 59.8° | 150.0° |
| C4 | C22 | C23 | H14 | 60.2° | 30.0° |
| C2 | C3 | C10 | C11 | 47.9° | 180.0° |
| C2 | C3 | C10 | H7 | 71.1° | 60.0° |
| C2 | C3 | C10 | H8 | 167.0° | 59.9° |
| C3 | C2 | H10 | H11 | 119.7° | 120.0° |
| C3 | C10 | C11 | H7 | 119.1° | 120.0° |
| C3 | C10 | C11 | H8 | 119.1° | 120.1° |
| C3 | C10 | C11 | O19 | 132.4° | 125.0° |
| C3 | C10 | H7 | H8 | 122.7° | 120.0° |
| C3 | C10 | C11 | H9 | 47.6° | 55.0° |
| C10 | C3 | C2 | H10 | 73.3° | 60.0° |
| C10 | C3 | C2 | H11 | 46.5° | 60.0° |
| C10 | C11 | O19 | H9 | 180.0° | 180.0° |
| C11 | C10 | H7 | H8 | 122.7° | 120.0° |
| O19 | C11 | C10 | H7 | 13.4° | 115.0° |
| O19 | C11 | C10 | H8 | 108.5° | 5.0° |
| H7 | C10 | C11 | H9 | 166.6° | 65.0° |
| H8 | C10 | C11 | H9 | 71.5° | 175.0° |
| H12 | C23 | H13 | H14 | 120.0° | 120.0° |
