LNK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | H11 | sing | 1.09Å | 1.09Å | |
| C1 | H12 | sing | 1.09Å | 1.09Å | |
| C1 | H13 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H21 | sing | 1.09Å | 1.09Å | |
| C2 | H22 | sing | 1.09Å | 1.09Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H31 | sing | 1.09Å | 1.09Å | |
| C3 | H32 | sing | 1.09Å | 1.09Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | H41 | sing | 1.09Å | 1.09Å | |
| C4 | H42 | sing | 1.09Å | 1.09Å | |
| C5 | H51 | sing | 1.09Å | 1.09Å | |
| C5 | H52 | sing | 1.09Å | 1.09Å | |
| C5 | H23 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H11 | 109.8° | 109.6° |
| C2 | C1 | H12 | 110.7° | 109.4° |
| C2 | C1 | H13 | 110.8° | 109.4° |
| C1 | C2 | C3 | 113.4° | 109.5° |
| C1 | C2 | H21 | 108.4° | 109.5° |
| C1 | C2 | H22 | 109.6° | 109.5° |
| H11 | C1 | H12 | 108.6° | 109.4° |
| H11 | C1 | H13 | 119.3° | 109.4° |
| H12 | C1 | H13 | 13.0° | 109.5° |
| C3 | C2 | H21 | 109.1° | 109.5° |
| C3 | C2 | H22 | 108.1° | 109.5° |
| C2 | C3 | C4 | 111.2° | 109.5° |
| C2 | C3 | H31 | 110.4° | 109.4° |
| C2 | C3 | H32 | 107.4° | 109.4° |
| H21 | C2 | H22 | 108.2° | 109.4° |
| C4 | C3 | H31 | 110.2° | 109.4° |
| C4 | C3 | H32 | 108.8° | 109.4° |
| C3 | C4 | C5 | 110.8° | 109.5° |
| C3 | C4 | H41 | 109.8° | 109.5° |
| C3 | C4 | H42 | 109.7° | 109.5° |
| H31 | C3 | H32 | 108.8° | 109.5° |
| C5 | C4 | H41 | 108.4° | 109.5° |
| C5 | C4 | H42 | 108.5° | 109.5° |
| C4 | C5 | H51 | 109.0° | 109.6° |
| C4 | C5 | H52 | 108.9° | 109.4° |
| C4 | C5 | H23 | 111.7° | 109.4° |
| H41 | C4 | H42 | 109.5° | 109.4° |
| H51 | C5 | H52 | 109.7° | 109.4° |
| H51 | C5 | H23 | 105.3° | 109.4° |
| H52 | C5 | H23 | 4.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H11 | H12 | 121.2° | 120.0° |
| C2 | C1 | H11 | H13 | 129.3° | 120.0° |
| C2 | C1 | H12 | H13 | 92.9° | 120.0° |
| C1 | C2 | C3 | H21 | 120.8° | 120.0° |
| C1 | C2 | C3 | H22 | 121.7° | 120.0° |
| C1 | C2 | H21 | H22 | 118.8° | 120.0° |
| C1 | C2 | C3 | C4 | 68.5° | 180.0° |
| C1 | C2 | C3 | H31 | 54.2° | 60.0° |
| C1 | C2 | C3 | H32 | 172.6° | 60.0° |
| H11 | C1 | H12 | H13 | 146.5° | 120.0° |
| H11 | C1 | C2 | C3 | 79.0° | 180.0° |
| H11 | C1 | C2 | H21 | 42.2° | 60.0° |
| H11 | C1 | C2 | H22 | 160.1° | 60.0° |
| H12 | C1 | C2 | C3 | 40.9° | 60.0° |
| H12 | C1 | C2 | H21 | 162.1° | 60.0° |
| H12 | C1 | C2 | H22 | 79.9° | 180.0° |
| H13 | C1 | C2 | C3 | 54.8° | 60.0° |
| H13 | C1 | C2 | H21 | 176.0° | 180.0° |
| H13 | C1 | C2 | H22 | 66.1° | 60.0° |
| C3 | C2 | H21 | H22 | 117.4° | 120.0° |
| C2 | C3 | C4 | H31 | 122.7° | 120.0° |
| C2 | C3 | C4 | H32 | 118.1° | 120.0° |
| C2 | C3 | H31 | H32 | 117.6° | 120.0° |
| C2 | C3 | C4 | C5 | 162.5° | 180.0° |
| C2 | C3 | C4 | H41 | 77.7° | 60.0° |
| C2 | C3 | C4 | H42 | 42.7° | 60.0° |
| H21 | C2 | C3 | C4 | 170.7° | 60.0° |
| H21 | C2 | C3 | H31 | 66.7° | 180.0° |
| H21 | C2 | C3 | H32 | 51.8° | 60.0° |
| H22 | C2 | C3 | C4 | 53.2° | 60.0° |
| H22 | C2 | C3 | H31 | 175.9° | 60.0° |
| H22 | C2 | C3 | H32 | 65.7° | 180.0° |
| C4 | C3 | H31 | H32 | 119.2° | 120.0° |
| C3 | C4 | C5 | H41 | 120.6° | 120.0° |
| C3 | C4 | C5 | H42 | 120.5° | 120.0° |
| C3 | C4 | H41 | H42 | 120.5° | 120.0° |
| C3 | C4 | C5 | H51 | 61.2° | 180.0° |
| C3 | C4 | C5 | H52 | 58.5° | 60.0° |
| C3 | C4 | C5 | H23 | 54.8° | 60.0° |
| H31 | C3 | C4 | C5 | 74.8° | 60.0° |
| H31 | C3 | C4 | H41 | 45.0° | 180.0° |
| H31 | C3 | C4 | H42 | 165.4° | 60.0° |
| H32 | C3 | C4 | C5 | 44.4° | 60.0° |
| H32 | C3 | C4 | H41 | 164.2° | 60.0° |
| H32 | C3 | C4 | H42 | 75.4° | 180.0° |
| C5 | C4 | H41 | H42 | 118.2° | 120.0° |
| C4 | C5 | H51 | H52 | 119.2° | 120.0° |
| C4 | C5 | H51 | H23 | 120.0° | 120.0° |
| C4 | C5 | H52 | H23 | 128.8° | 120.0° |
| H41 | C4 | C5 | H51 | 59.5° | 60.0° |
| H41 | C4 | C5 | H52 | 179.1° | 180.0° |
| H41 | C4 | C5 | H23 | 175.4° | 60.0° |
| H42 | C4 | C5 | H51 | 178.3° | 60.0° |
| H42 | C4 | C5 | H52 | 62.0° | 60.0° |
| H42 | C4 | C5 | H23 | 65.7° | 180.0° |
| H51 | C5 | H52 | H23 | 9.6° | 120.0° |
