CGH
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 | 1.51Å | |
| C5 | N21 | sing | 1.47Å | 1.49Å | |
| N21 | C49 | sing | 1.47Å | 1.48Å | |
| C49 | C48 | sing | 1.54Å | 1.49Å | |
| C49 | C50 | sing | 1.50Å | 1.37Å | |
| C48 | C47 | sing | 1.46Å | 1.51Å | |
| C47 | C46 | sing | 1.54Å | 1.50Å | |
| C46 | C52 | sing | 1.50Å | 1.46Å | |
| C52 | C51 | sing | 1.54Å | 1.46Å | |
| C51 | C50 | sing | 1.54Å | 1.46Å | |
| 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 | |
| C52 | H52 | sing | 1.09Å | 1.10Å | |
| C52 | H52A | sing | 1.09Å | 1.10Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C51 | H51A | sing | 1.09Å | 1.10Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| C50 | H50A | sing | 1.09Å | 1.10Å | |
| C14 | OXT | sing | 1.34Å | 33.17Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O32 | C14 | C5 | 117.7° | 120.0° |
| O32 | C14 | OXT | 54.4° | 120.0° |
| C14 | C5 | N21 | 109.7° | 109.5° |
| C14 | C5 | H5 | 109.4° | 109.5° |
| C14 | C5 | H5A | 109.4° | 109.5° |
| C5 | C14 | OXT | 168.8° | 120.0° |
| C5 | N21 | C49 | 116.6° | 111.0° |
| N21 | C5 | H5 | 109.4° | 109.4° |
| N21 | C5 | H5A | 109.4° | 109.5° |
| C5 | N21 | HN21 | 107.2° | 111.0° |
| N21 | C49 | C48 | 111.9° | 109.6° |
| N21 | C49 | C50 | 102.6° | 109.6° |
| C49 | N21 | HN21 | 107.1° | 111.0° |
| N21 | C49 | H49 | 119.9° | 109.6° |
| C48 | C49 | C50 | 124.8° | 108.5° |
| C49 | C48 | C47 | 108.9° | 112.3° |
| C48 | C49 | H49 | 93.9° | 109.7° |
| C49 | C48 | H48 | 109.7° | 108.9° |
| C49 | C48 | H48A | 109.7° | 108.9° |
| C49 | C50 | C51 | 95.2° | 112.5° |
| C50 | C49 | H49 | 104.8° | 109.8° |
| C49 | C50 | H50 | 114.6° | 108.9° |
| C49 | C50 | H50A | 114.6° | 108.9° |
| C48 | C47 | C46 | 115.6° | 112.4° |
| C47 | C48 | H48 | 109.6° | 108.9° |
| C47 | C48 | H48A | 109.6° | 108.9° |
| C48 | C47 | H47 | 107.5° | 108.9° |
| C48 | C47 | H47A | 107.5° | 108.9° |
| C47 | C46 | C52 | 113.1° | 108.5° |
| C46 | C47 | H47 | 107.4° | 108.9° |
| C46 | C47 | H47A | 107.5° | 108.9° |
| C47 | C46 | H46 | 108.3° | 109.6° |
| C47 | C46 | H46A | 108.3° | 109.6° |
| C46 | C52 | C51 | 109.6° | 112.5° |
| C52 | C46 | H46 | 108.3° | 109.6° |
| C52 | C46 | H46A | 108.3° | 109.6° |
| C46 | C52 | H52 | 109.4° | 108.9° |
| C46 | C52 | H52A | 109.4° | 108.9° |
| C52 | C51 | C50 | 125.8° | 112.8° |
| C51 | C52 | H52 | 109.5° | 108.8° |
| C51 | C52 | H52A | 109.4° | 108.9° |
| C52 | C51 | H51 | 104.4° | 108.8° |
| C52 | C51 | H51A | 104.4° | 108.9° |
| C50 | C51 | H51 | 104.4° | 108.8° |
| C50 | C51 | H51A | 104.4° | 108.8° |
| C51 | C50 | H50 | 114.5° | 108.9° |
| C51 | C50 | H50A | 114.5° | 108.9° |
| H5 | C5 | H5A | 109.5° | 109.5° |
| H48 | C48 | H48A | 109.3° | 108.8° |
| H47 | C47 | H47A | 111.4° | 108.8° |
| H46 | C46 | H46A | 110.6° | 109.8° |
| H52 | C52 | H52A | 109.5° | 108.7° |
| H51 | C51 | H51A | 114.0° | 108.7° |
| H50 | C50 | H50A | 104.0° | 108.8° |
| 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 | 42.8° | 179.7° |
| O32 | C14 | C5 | N21 | 27.1° | 0.0° |
| O32 | C14 | C5 | H5 | 92.9° | 120.0° |
| O32 | C14 | C5 | H5A | 147.1° | 120.0° |
| O32 | C14 | OXT | HXT | 90.0° | 0.0° |
| C14 | C5 | N21 | H5 | 120.0° | 120.0° |
| C14 | C5 | N21 | H5A | 120.0° | 120.0° |
| C14 | C5 | N21 | C49 | 81.4° | 180.0° |
| C14 | C5 | H5 | H5A | 119.9° | 120.0° |
| C14 | C5 | N21 | HN21 | 38.6° | 56.1° |
| C5 | C14 | OXT | HXT | 90.0° | 179.8° |
| C5 | N21 | C49 | HN21 | 120.0° | 124.0° |
| C5 | N21 | C49 | C48 | 87.7° | 155.0° |
| C5 | N21 | C49 | C50 | 136.2° | 86.0° |
| N21 | C5 | H5 | H5A | 119.9° | 120.0° |
| C5 | N21 | C49 | H49 | 20.7° | 34.6° |
| N21 | C5 | C14 | OXT | 69.8° | 179.7° |
| N21 | C49 | C48 | C50 | 124.4° | 119.7° |
| N21 | C49 | C48 | H49 | 124.4° | 120.4° |
| N21 | C49 | C50 | H49 | 126.0° | 120.5° |
| N21 | C49 | C48 | C47 | 86.2° | 160.3° |
| N21 | C49 | C50 | C51 | 163.2° | 146.2° |
| C49 | N21 | C5 | H5 | 158.6° | 60.0° |
| C49 | N21 | C5 | H5A | 38.6° | 60.0° |
| N21 | C49 | C48 | H48 | 33.8° | 79.0° |
| N21 | C49 | C48 | H48A | 153.8° | 39.6° |
| N21 | C49 | C50 | H50 | 76.8° | 25.4° |
| N21 | C49 | C50 | H50A | 43.3° | 93.1° |
| C48 | C49 | C50 | H49 | 105.7° | 119.9° |
| C49 | C48 | C47 | H48 | 120.0° | 120.7° |
| C49 | C48 | C47 | H48A | 120.0° | 120.7° |
| C49 | C48 | C47 | C46 | 90.4° | 61.9° |
| C48 | C49 | C50 | C51 | 34.9° | 94.2° |
| C48 | C49 | N21 | HN21 | 152.3° | 81.0° |
| C49 | C48 | H48 | H48A | 120.3° | 118.6° |
| C49 | C48 | C47 | H47 | 29.6° | 177.3° |
| C49 | C48 | C47 | H47A | 149.6° | 58.8° |
| C48 | C49 | C50 | H50 | 154.9° | 145.1° |
| C48 | C49 | C50 | H50A | 85.1° | 26.6° |
| C50 | C49 | C48 | C47 | 38.2° | 80.0° |
| C49 | C50 | C51 | C52 | 105.6° | 41.7° |
| C49 | C50 | C51 | H50 | 120.0° | 120.7° |
| C49 | C50 | C51 | H50A | 120.0° | 120.7° |
| C50 | C49 | N21 | HN21 | 16.2° | 37.9° |
| C50 | C49 | C48 | H48 | 158.2° | 40.7° |
| C50 | C49 | C48 | H48A | 81.7° | 159.3° |
| C49 | C50 | C51 | H51 | 134.4° | 162.6° |
| C49 | C50 | C51 | H51A | 14.4° | 79.1° |
| C49 | C50 | H50 | H50A | 125.8° | 118.5° |
| C48 | C47 | C46 | H47 | 120.0° | 120.7° |
| C48 | C47 | C46 | H47A | 120.0° | 120.7° |
| C48 | C47 | C46 | C52 | 62.4° | 80.0° |
| C47 | C48 | C49 | H49 | 149.4° | 39.9° |
| C47 | C48 | H48 | H48A | 120.2° | 118.6° |
| C48 | C47 | H47 | H47A | 117.5° | 118.6° |
| C48 | C47 | C46 | H46 | 177.5° | 39.7° |
| C48 | C47 | C46 | H46A | 57.6° | 160.3° |
| C47 | C46 | C52 | H46 | 120.0° | 119.7° |
| C47 | C46 | C52 | H46A | 120.0° | 119.7° |
| C47 | C46 | C52 | C51 | 33.5° | 94.2° |
| C46 | C47 | C48 | H48 | 149.6° | 58.8° |
| C46 | C47 | C48 | H48A | 29.6° | 177.3° |
| C46 | C47 | H47 | H47A | 117.5° | 118.6° |
| C47 | C46 | H46 | H46A | 118.5° | 120.4° |
| C47 | C46 | C52 | H52 | 86.5° | 145.0° |
| C47 | C46 | C52 | H52A | 153.5° | 26.6° |
| C46 | C52 | C51 | H52 | 120.0° | 120.8° |
| C46 | C52 | C51 | H52A | 120.0° | 120.8° |
| C46 | C52 | C51 | C50 | 81.9° | 41.7° |
| C52 | C46 | C47 | H47 | 57.6° | 159.3° |
| C52 | C46 | C47 | H47A | 177.6° | 40.7° |
| C52 | C46 | H46 | H46A | 118.5° | 120.5° |
| C46 | C52 | H52 | H52A | 120.0° | 118.5° |
| C46 | C52 | C51 | H51 | 158.1° | 79.1° |
| C46 | C52 | C51 | H51A | 38.1° | 162.5° |
| C52 | C51 | C50 | H51 | 120.0° | 120.8° |
| C52 | C51 | C50 | H51A | 120.0° | 120.9° |
| C51 | C52 | C46 | H46 | 153.5° | 25.5° |
| C51 | C52 | C46 | H46A | 86.5° | 146.1° |
| C51 | C52 | H52 | H52A | 120.0° | 118.5° |
| C52 | C51 | H51 | H51A | 113.2° | 118.4° |
| C52 | C51 | C50 | H50 | 134.4° | 162.5° |
| C52 | C51 | C50 | H50A | 14.4° | 79.0° |
| C51 | C50 | C49 | H49 | 70.8° | 25.7° |
| C50 | C51 | C52 | H52 | 38.1° | 162.5° |
| C50 | C51 | C52 | H52A | 158.1° | 79.1° |
| C50 | C51 | H51 | H51A | 113.2° | 118.3° |
| C51 | C50 | H50 | H50A | 125.7° | 118.6° |
| H5 | C5 | N21 | HN21 | 81.4° | 176.1° |
| H5 | C5 | C14 | OXT | 50.1° | 59.8° |
| H5A | C5 | N21 | HN21 | 158.6° | 64.0° |
| H5A | C5 | C14 | OXT | 170.1° | 60.2° |
| HN21 | N21 | C49 | H49 | 99.3° | 158.6° |
| H49 | C49 | C48 | H48 | 90.7° | 160.7° |
| H49 | C49 | C48 | H48A | 29.4° | 80.8° |
| H49 | C49 | C50 | H50 | 49.2° | 95.1° |
| H49 | C49 | C50 | H50A | 169.2° | 146.4° |
| H48 | C48 | C47 | H47 | 90.5° | 61.9° |
| H48 | C48 | C47 | H47A | 29.6° | 179.5° |
| H48A | C48 | C47 | H47 | 149.5° | 56.6° |
| H48A | C48 | C47 | H47A | 90.4° | 61.9° |
| H47 | C47 | C46 | H46 | 62.4° | 81.0° |
| H47 | C47 | C46 | H46A | 177.6° | 39.5° |
| H47A | C47 | C46 | H46 | 57.6° | 160.5° |
| H47A | C47 | C46 | H46A | 62.4° | 79.0° |
| H46 | C46 | C52 | H52 | 33.5° | 95.2° |
| H46 | C46 | C52 | H52A | 86.5° | 146.4° |
| H46A | C46 | C52 | H52 | 153.5° | 25.4° |
| H46A | C46 | C52 | H52A | 33.5° | 93.0° |
| H52 | C52 | C51 | H51 | 81.9° | 41.7° |
| H52 | C52 | C51 | H51A | 158.1° | 76.7° |
| H52A | C52 | C51 | H51 | 38.1° | 160.1° |
| H52A | C52 | C51 | H51A | 81.9° | 41.7° |
| H51 | C51 | C50 | H50 | 14.4° | 76.7° |
| H51 | C51 | C50 | H50A | 105.6° | 41.8° |
| H51A | C51 | C50 | H50 | 105.6° | 41.6° |
| H51A | C51 | C50 | H50A | 134.4° | 160.1° |
