CNG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | O32 | doub | 1.21Å | 1.23Å | |
| C14 | C5 | sing | 1.51Å | 1.54Å | |
| C5 | N21 | sing | 1.47Å | 1.44Å | |
| N21 | C49 | sing | 1.47Å | 1.45Å | |
| C49 | C48 | sing | 1.53Å | 1.52Å | |
| C49 | C42 | sing | 1.53Å | 1.52Å | |
| C48 | C47 | sing | 1.53Å | 1.53Å | |
| C47 | C46 | sing | 1.53Å | 1.52Å | |
| C46 | C45 | sing | 1.53Å | 1.53Å | |
| C45 | C44 | sing | 1.53Å | 1.52Å | |
| C44 | C43 | sing | 1.53Å | 1.52Å | |
| C43 | C42 | sing | 1.53Å | 1.52Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| N21 | HN21 | sing | 1.01Å | 1.00Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C48 | H48A | sing | 1.09Å | 1.10Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C47 | H47A | sing | 1.09Å | 1.10Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C46 | H46A | sing | 1.09Å | 1.10Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C45 | H45A | sing | 1.09Å | 1.10Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C42 | H42A | sing | 1.09Å | 1.10Å | |
| C14 | OXT | sing | 1.34Å | 31.91Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O32 | C14 | C5 | 133.2° | 120.0° |
| O32 | C14 | OXT | 62.5° | 120.0° |
| C14 | C5 | N21 | 121.3° | 109.5° |
| C14 | C5 | H5 | 106.5° | 109.5° |
| C14 | C5 | H5A | 106.5° | 109.5° |
| C5 | C14 | OXT | 142.7° | 120.0° |
| C5 | N21 | C49 | 129.7° | 111.0° |
| N21 | C5 | H5 | 106.4° | 109.5° |
| N21 | C5 | H5A | 106.4° | 109.5° |
| C5 | N21 | HN21 | 104.2° | 111.0° |
| N21 | C49 | C48 | 112.5° | 109.5° |
| N21 | C49 | C42 | 108.3° | 109.5° |
| C49 | N21 | HN21 | 104.2° | 111.0° |
| N21 | C49 | H49 | 103.6° | 109.5° |
| C48 | C49 | C42 | 124.0° | 109.5° |
| C49 | C48 | C47 | 121.7° | 109.5° |
| C48 | C49 | H49 | 102.9° | 109.5° |
| C49 | C48 | H48 | 106.4° | 109.4° |
| C49 | C48 | H48A | 106.3° | 109.5° |
| C49 | C42 | C43 | 129.5° | 109.5° |
| C42 | C49 | H49 | 102.9° | 109.5° |
| C49 | C42 | H42 | 104.3° | 109.5° |
| C49 | C42 | H42A | 104.3° | 109.4° |
| C48 | C47 | C46 | 133.5° | 109.4° |
| C47 | C48 | H48 | 106.3° | 109.5° |
| C47 | C48 | H48A | 106.3° | 109.5° |
| C48 | C47 | H47 | 103.1° | 109.5° |
| C48 | C47 | H47A | 103.2° | 109.5° |
| C47 | C46 | C45 | 119.0° | 109.5° |
| C46 | C47 | H47 | 103.2° | 109.5° |
| C46 | C47 | H47A | 103.2° | 109.4° |
| C47 | C46 | H46 | 107.0° | 109.4° |
| C47 | C46 | H46A | 107.0° | 109.4° |
| C46 | C45 | C44 | 114.2° | 109.5° |
| C45 | C46 | H46 | 107.0° | 109.5° |
| C45 | C46 | H46A | 107.1° | 109.4° |
| C46 | C45 | H45 | 108.3° | 109.5° |
| C46 | C45 | H45A | 108.3° | 109.5° |
| C45 | C44 | C43 | 122.5° | 109.5° |
| C44 | C45 | H45 | 108.3° | 109.4° |
| C44 | C45 | H45A | 108.3° | 109.4° |
| C45 | C44 | H44 | 106.1° | 109.5° |
| C45 | C44 | H44A | 106.1° | 109.5° |
| C44 | C43 | C42 | 125.2° | 109.5° |
| C43 | C44 | H44 | 106.1° | 109.5° |
| C43 | C44 | H44A | 106.1° | 109.4° |
| C44 | C43 | H43 | 105.4° | 109.4° |
| C44 | C43 | H43A | 105.4° | 109.5° |
| C42 | C43 | H43 | 105.4° | 109.5° |
| C42 | C43 | H43A | 105.4° | 109.5° |
| C43 | C42 | H42 | 104.3° | 109.5° |
| C43 | C42 | H42A | 104.3° | 109.5° |
| H5 | C5 | H5A | 109.5° | 109.5° |
| H48 | C48 | H48A | 109.5° | 109.5° |
| H47 | C47 | H47A | 109.5° | 109.5° |
| H46 | C46 | H46A | 109.4° | 109.5° |
| H45 | C45 | H45A | 109.5° | 109.5° |
| H44 | C44 | H44A | 109.5° | 109.5° |
| H43 | C43 | H43A | 109.5° | 109.5° |
| H42 | C42 | H42A | 109.4° | 109.4° |
| C14 | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O32 | C14 | C5 | OXT | 100.8° | 179.8° |
| O32 | C14 | C5 | N21 | 23.1° | 0.0° |
| O32 | C14 | C5 | H5 | 98.5° | 120.0° |
| O32 | C14 | C5 | H5A | 144.8° | 120.0° |
| O32 | C14 | OXT | HXT | 90.0° | 0.1° |
| C14 | C5 | N21 | H5 | 121.7° | 120.0° |
| C14 | C5 | N21 | H5A | 121.7° | 120.0° |
| C14 | C5 | N21 | C49 | 88.5° | 180.0° |
| C14 | C5 | H5 | H5A | 114.7° | 120.0° |
| C14 | C5 | N21 | HN21 | 34.2° | 56.1° |
| C5 | C14 | OXT | HXT | 90.0° | 179.7° |
| C5 | N21 | C49 | HN21 | 122.6° | 123.9° |
| C5 | N21 | C49 | C48 | 71.0° | 155.0° |
| C5 | N21 | C49 | C42 | 69.9° | 84.9° |
| N21 | C5 | H5 | H5A | 114.6° | 120.0° |
| C5 | N21 | C49 | H49 | 178.7° | 35.1° |
| N21 | C5 | C14 | OXT | 124.0° | 179.7° |
| N21 | C49 | C48 | C42 | 133.7° | 120.0° |
| N21 | C49 | C48 | H49 | 110.8° | 120.0° |
| N21 | C49 | C42 | H49 | 109.3° | 120.0° |
| N21 | C49 | C48 | C47 | 141.5° | 127.0° |
| N21 | C49 | C42 | C43 | 84.0° | 164.0° |
| C49 | N21 | C5 | H5 | 149.9° | 60.0° |
| C49 | N21 | C5 | H5A | 33.2° | 60.0° |
| N21 | C49 | C48 | H48 | 19.9° | 112.9° |
| N21 | C49 | C48 | H48A | 96.8° | 7.0° |
| N21 | C49 | C42 | H42 | 153.4° | 76.0° |
| N21 | C49 | C42 | H42A | 38.7° | 44.0° |
| C48 | C49 | C42 | H49 | 115.5° | 120.0° |
| C49 | C48 | C47 | H48 | 121.7° | 120.0° |
| C49 | C48 | C47 | H48A | 121.7° | 120.0° |
| C49 | C48 | C47 | C46 | 82.0° | 76.0° |
| C48 | C49 | C42 | C43 | 51.3° | 44.0° |
| C48 | C49 | N21 | HN21 | 51.7° | 81.1° |
| C49 | C48 | H48 | H48A | 114.5° | 120.0° |
| C49 | C48 | C47 | H47 | 155.0° | 164.1° |
| C49 | C48 | C47 | H47A | 41.1° | 44.0° |
| C48 | C49 | C42 | H42 | 71.3° | 164.0° |
| C48 | C49 | C42 | H42A | 173.9° | 76.0° |
| C42 | C49 | C48 | C47 | 7.9° | 112.9° |
| C49 | C42 | C43 | C44 | 62.3° | 75.9° |
| C49 | C42 | C43 | H42 | 122.6° | 120.0° |
| C49 | C42 | C43 | H42A | 122.6° | 120.0° |
| C42 | C49 | N21 | HN21 | 167.5° | 39.0° |
| C42 | C49 | C48 | H48 | 113.8° | 7.1° |
| C42 | C49 | C48 | H48A | 129.6° | 127.1° |
| C49 | C42 | C43 | H43 | 59.9° | 44.0° |
| C49 | C42 | C43 | H43A | 175.6° | 164.0° |
| C49 | C42 | H42 | H42A | 111.1° | 119.9° |
| C48 | C47 | C46 | H47 | 123.0° | 120.0° |
| C48 | C47 | C46 | H47A | 123.0° | 120.0° |
| C48 | C47 | C46 | C45 | 46.6° | 76.0° |
| C47 | C48 | C49 | H49 | 107.7° | 7.1° |
| C47 | C48 | H48 | H48A | 114.5° | 120.0° |
| C48 | C47 | H47 | H47A | 109.3° | 120.1° |
| C48 | C47 | C46 | H46 | 74.7° | 44.0° |
| C48 | C47 | C46 | H46A | 168.0° | 164.1° |
| C47 | C46 | C45 | H46 | 121.4° | 120.0° |
| C47 | C46 | C45 | H46A | 121.4° | 119.9° |
| C47 | C46 | C45 | C44 | 50.0° | 113.0° |
| C46 | C47 | C48 | H48 | 39.7° | 44.0° |
| C46 | C47 | C48 | H48A | 156.3° | 164.1° |
| C46 | C47 | H47 | H47A | 109.3° | 120.0° |
| C47 | C46 | H46 | H46A | 115.7° | 120.0° |
| C47 | C46 | C45 | H45 | 70.7° | 127.1° |
| C47 | C46 | C45 | H45A | 170.7° | 7.0° |
| C46 | C45 | C44 | H45 | 120.7° | 120.0° |
| C46 | C45 | C44 | H45A | 120.7° | 120.0° |
| C46 | C45 | C44 | C43 | 91.5° | 44.0° |
| C45 | C46 | C47 | H47 | 169.6° | 164.0° |
| C45 | C46 | C47 | H47A | 76.4° | 44.0° |
| C45 | C46 | H46 | H46A | 115.7° | 120.0° |
| C46 | C45 | H45 | H45A | 117.9° | 120.1° |
| C46 | C45 | C44 | H44 | 146.7° | 76.0° |
| C46 | C45 | C44 | H44A | 30.3° | 164.0° |
| C45 | C44 | C43 | H44 | 121.8° | 120.0° |
| C45 | C44 | C43 | H44A | 121.8° | 120.0° |
| C45 | C44 | C43 | C42 | 71.3° | 75.9° |
| C44 | C45 | C46 | H46 | 171.4° | 7.0° |
| C44 | C45 | C46 | H46A | 71.3° | 127.1° |
| C44 | C45 | H45 | H45A | 117.9° | 119.9° |
| C45 | C44 | H44 | H44A | 114.1° | 120.1° |
| C45 | C44 | C43 | H43 | 50.8° | 44.0° |
| C45 | C44 | C43 | H43A | 166.5° | 164.0° |
| C44 | C43 | C42 | H43 | 122.1° | 120.0° |
| C44 | C43 | C42 | H43A | 122.1° | 120.0° |
| C43 | C44 | C45 | H45 | 29.2° | 164.0° |
| C43 | C44 | C45 | H45A | 147.8° | 76.0° |
| C43 | C44 | H44 | H44A | 114.1° | 120.0° |
| C44 | C43 | H43 | H43A | 113.0° | 120.0° |
| C44 | C43 | C42 | H42 | 60.4° | 44.1° |
| C44 | C43 | C42 | H42A | 175.1° | 164.1° |
| C43 | C42 | C49 | H49 | 166.8° | 76.0° |
| C42 | C43 | C44 | H44 | 166.9° | 164.1° |
| C42 | C43 | C44 | H44A | 50.5° | 44.1° |
| C42 | C43 | H43 | H43A | 112.9° | 120.0° |
| C43 | C42 | H42 | H42A | 111.1° | 120.1° |
| H5 | C5 | N21 | HN21 | 87.5° | 176.1° |
| H5 | C5 | C14 | OXT | 2.3° | 59.7° |
| H5A | C5 | N21 | HN21 | 155.8° | 63.9° |
| H5A | C5 | C14 | OXT | 114.4° | 60.3° |
| HN21 | N21 | C49 | H49 | 58.7° | 159.0° |
| H49 | C49 | C48 | H48 | 130.7° | 127.1° |
| H49 | C49 | C48 | H48A | 14.0° | 112.9° |
| H49 | C49 | C42 | H42 | 44.2° | 44.0° |
| H49 | C49 | C42 | H42A | 70.6° | 164.0° |
| H48 | C48 | C47 | H47 | 83.3° | 76.0° |
| H48 | C48 | C47 | H47A | 162.8° | 164.0° |
| H48A | C48 | C47 | H47 | 33.3° | 44.1° |
| H48A | C48 | C47 | H47A | 80.6° | 76.0° |
| H47 | C47 | C46 | H46 | 48.3° | 76.0° |
| H47 | C47 | C46 | H46A | 69.0° | 44.1° |
| H47A | C47 | C46 | H46 | 162.2° | 164.0° |
| H47A | C47 | C46 | H46A | 45.0° | 75.9° |
| H46 | C46 | C45 | H45 | 50.7° | 112.9° |
| H46 | C46 | C45 | H45A | 67.9° | 127.0° |
| H46A | C46 | C45 | H45 | 168.0° | 7.1° |
| H46A | C46 | C45 | H45A | 49.4° | 113.0° |
| H45 | C45 | C44 | H44 | 92.6° | 44.1° |
| H45 | C45 | C44 | H44A | 151.0° | 76.0° |
| H45A | C45 | C44 | H44 | 26.0° | 164.0° |
| H45A | C45 | C44 | H44A | 90.4° | 44.0° |
| H44 | C44 | C43 | H43 | 71.0° | 76.0° |
| H44 | C44 | C43 | H43A | 44.8° | 44.0° |
| H44A | C44 | C43 | H43 | 172.6° | 164.0° |
| H44A | C44 | C43 | H43A | 71.6° | 76.0° |
| H43 | C43 | C42 | H42 | 177.5° | 164.0° |
| H43 | C43 | C42 | H42A | 62.8° | 76.0° |
| H43A | C43 | C42 | H42 | 61.8° | 76.0° |
| H43A | C43 | C42 | H42A | 53.0° | 44.1° |
