CL5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | sing | 1.51Å | 1.50Å | |
| C7 | O8 | doub | 1.23Å | 1.23Å | |
| C7 | H7 | sing | 1.10Å | 1.08Å | |
| C6 | C5 | sing | 1.52Å | 1.50Å | |
| C6 | H61 | sing | 1.10Å | 1.10Å | |
| C6 | H62 | sing | 1.10Å | 1.10Å | |
| C5 | N4 | sing | 1.46Å | 1.46Å | |
| C5 | H51 | sing | 1.10Å | 1.10Å | |
| C5 | H52 | sing | 1.10Å | 1.10Å | |
| N4 | C3 | sing | 1.46Å | 1.46Å | |
| N4 | HN4 | sing | 1.02Å | 1.00Å | |
| C3 | C12 | sing | 1.50Å | 1.50Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C12 | O13 | doub | 1.22Å | 1.25Å | |
| C12 | O14 | sing | 1.36Å | 1.24Å | |
| O14 | HO14 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | O8 | 120.3° | 124.7° |
| C6 | C7 | H7 | 119.8° | 114.9° |
| C7 | C6 | C5 | 111.8° | 112.4° |
| C7 | C6 | H61 | 108.7° | 107.3° |
| C7 | C6 | H62 | 108.2° | 107.3° |
| O8 | C7 | H7 | 119.9° | 120.4° |
| C5 | C6 | H61 | 108.7° | 110.7° |
| C5 | C6 | H62 | 108.2° | 110.7° |
| C6 | C5 | N4 | 119.8° | 111.1° |
| C6 | C5 | H51 | 106.2° | 110.3° |
| C6 | C5 | H52 | 103.7° | 110.4° |
| H61 | C6 | H62 | 111.3° | 108.1° |
| N4 | C5 | H51 | 106.1° | 109.0° |
| N4 | C5 | H52 | 103.7° | 109.1° |
| C5 | N4 | C3 | 117.8° | 110.9° |
| C5 | N4 | HN4 | 106.7° | 109.1° |
| H51 | C5 | H52 | 118.0° | 106.8° |
| C3 | N4 | HN4 | 106.8° | 109.2° |
| N4 | C3 | C12 | 110.4° | 108.6° |
| N4 | C3 | H31 | 109.2° | 108.9° |
| N4 | C3 | H32 | 109.0° | 109.1° |
| C12 | C3 | H31 | 109.2° | 109.7° |
| C12 | C3 | H32 | 109.0° | 109.9° |
| C3 | C12 | O13 | 118.3° | 126.5° |
| C3 | C12 | O14 | 118.3° | 109.9° |
| H31 | C3 | H32 | 110.1° | 110.6° |
| O13 | C12 | O14 | 123.4° | 123.6° |
| C12 | O14 | HO14 | 109.5° | 111.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | O8 | H7 | 180.0° | 179.8° |
| C7 | C6 | C5 | H61 | 120.0° | 120.1° |
| C7 | C6 | C5 | H62 | 119.0° | 120.1° |
| C7 | C6 | H61 | H62 | 119.0° | 115.5° |
| C7 | C6 | C5 | N4 | 59.0° | 179.0° |
| C7 | C6 | C5 | H51 | 61.0° | 60.0° |
| C7 | C6 | C5 | H52 | 173.9° | 57.8° |
| O8 | C7 | C6 | C5 | 58.7° | 2.0° |
| O8 | C7 | C6 | H61 | 61.3° | 120.0° |
| O8 | C7 | C6 | H62 | 177.7° | 124.0° |
| H7 | C7 | C6 | C5 | 121.3° | 178.2° |
| H7 | C7 | C6 | H61 | 118.7° | 59.8° |
| H7 | C7 | C6 | H62 | 2.3° | 56.2° |
| C5 | C6 | H61 | H62 | 119.1° | 121.4° |
| C6 | C5 | N4 | H51 | 120.0° | 121.7° |
| C6 | C5 | N4 | H52 | 114.9° | 121.9° |
| C6 | C5 | H51 | H52 | 115.7° | 120.0° |
| C6 | C5 | N4 | C3 | 171.1° | 179.5° |
| C6 | C5 | N4 | HN4 | 51.1° | 60.1° |
| H61 | C6 | C5 | N4 | 179.0° | 58.9° |
| H61 | C6 | C5 | H51 | 59.0° | 179.9° |
| H61 | C6 | C5 | H52 | 66.0° | 62.2° |
| H62 | C6 | C5 | N4 | 60.0° | 61.0° |
| H62 | C6 | C5 | H51 | 180.0° | 60.0° |
| H62 | C6 | C5 | H52 | 54.9° | 177.9° |
| N4 | C5 | H51 | H52 | 115.7° | 117.8° |
| C5 | N4 | C3 | HN4 | 120.0° | 120.3° |
| C5 | N4 | C3 | C12 | 162.0° | 179.7° |
| C5 | N4 | C3 | H31 | 78.0° | 60.3° |
| C5 | N4 | C3 | H32 | 42.3° | 60.5° |
| H51 | C5 | N4 | C3 | 68.9° | 57.8° |
| H51 | C5 | N4 | HN4 | 171.1° | 178.2° |
| H52 | C5 | N4 | C3 | 56.2° | 58.5° |
| H52 | C5 | N4 | HN4 | 63.8° | 61.9° |
| N4 | C3 | C12 | H31 | 120.0° | 118.9° |
| N4 | C3 | C12 | H32 | 119.6° | 119.3° |
| N4 | C3 | H31 | H32 | 119.6° | 119.8° |
| N4 | C3 | C12 | O13 | 79.6° | 1.0° |
| N4 | C3 | C12 | O14 | 99.8° | 179.0° |
| HN4 | N4 | C3 | C12 | 42.0° | 60.0° |
| HN4 | N4 | C3 | H31 | 162.1° | 179.4° |
| HN4 | N4 | C3 | H32 | 77.6° | 59.8° |
| C12 | C3 | H31 | H32 | 119.7° | 121.4° |
| C3 | C12 | O13 | O14 | 179.4° | 180.0° |
| C3 | C12 | O14 | HO14 | 179.4° | 179.9° |
| H31 | C3 | C12 | O13 | 160.4° | 120.0° |
| H31 | C3 | C12 | O14 | 20.2° | 60.1° |
| H32 | C3 | C12 | O13 | 40.0° | 118.2° |
| H32 | C3 | C12 | O14 | 140.5° | 61.8° |
| O13 | C12 | O14 | HO14 | 0.0° | 0.0° |
