CHT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | sing | 1.53Å | 1.58Å | |
| C4 | O6 | sing | 1.43Å | 1.40Å | |
| C4 | HC41 | sing | 1.09Å | 1.11Å | |
| C4 | HC42 | sing | 1.09Å | 1.11Å | |
| C5 | N1 | sing | 1.47Å | 1.54Å | |
| C5 | HC51 | sing | 1.09Å | 1.12Å | |
| C5 | HC52 | sing | 1.09Å | 1.12Å | |
| C6 | N1 | sing | 1.47Å | 1.47Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C6 | H63 | sing | 1.09Å | 1.11Å | |
| C7 | N1 | sing | 1.47Å | 1.50Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C7 | H73 | sing | 1.09Å | 1.11Å | |
| C8 | N1 | sing | 1.47Å | 1.48Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C8 | H83 | sing | 1.09Å | 1.12Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | O6 | 107.5° | 109.5° |
| C5 | C4 | HC41 | 113.0° | 109.4° |
| C5 | C4 | HC42 | 112.9° | 109.5° |
| C4 | C5 | N1 | 120.0° | 109.4° |
| C4 | C5 | HC51 | 108.5° | 109.5° |
| C4 | C5 | HC52 | 108.5° | 109.5° |
| O6 | C4 | HC41 | 113.0° | 109.5° |
| O6 | C4 | HC42 | 113.0° | 109.5° |
| C4 | O6 | HO6 | 107.5° | 106.8° |
| HC41 | C4 | HC42 | 97.5° | 109.5° |
| N1 | C5 | HC51 | 108.4° | 109.4° |
| N1 | C5 | HC52 | 108.4° | 109.5° |
| C5 | N1 | C6 | 112.0° | 109.4° |
| C5 | N1 | C7 | 111.3° | 109.4° |
| C5 | N1 | C8 | 108.7° | 109.5° |
| HC51 | C5 | HC52 | 101.5° | 109.5° |
| N1 | C6 | H61 | 112.0° | 109.5° |
| N1 | C6 | H62 | 111.3° | 109.5° |
| N1 | C6 | H63 | 111.3° | 109.5° |
| C6 | N1 | C7 | 108.6° | 109.5° |
| C6 | N1 | C8 | 107.8° | 109.5° |
| H61 | C6 | H62 | 111.2° | 109.5° |
| H61 | C6 | H63 | 111.3° | 109.4° |
| H62 | C6 | H63 | 99.0° | 109.4° |
| N1 | C7 | H71 | 111.3° | 109.5° |
| N1 | C7 | H72 | 111.5° | 109.5° |
| N1 | C7 | H73 | 111.5° | 109.5° |
| C7 | N1 | C8 | 108.3° | 109.5° |
| H71 | C7 | H72 | 111.6° | 109.4° |
| H71 | C7 | H73 | 111.5° | 109.4° |
| H72 | C7 | H73 | 98.9° | 109.5° |
| N1 | C8 | H81 | 108.7° | 109.4° |
| N1 | C8 | H82 | 112.5° | 109.5° |
| N1 | C8 | H83 | 112.5° | 109.5° |
| H81 | C8 | H82 | 112.5° | 109.4° |
| H81 | C8 | H83 | 112.4° | 109.5° |
| H82 | C8 | H83 | 97.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | O6 | HC41 | 125.3° | 119.9° |
| C5 | C4 | O6 | HC42 | 125.2° | 120.1° |
| C5 | C4 | HC41 | HC42 | 118.8° | 120.0° |
| C4 | C5 | N1 | HC51 | 125.3° | 120.0° |
| C4 | C5 | N1 | HC52 | 125.3° | 120.0° |
| C4 | C5 | HC51 | HC52 | 114.1° | 120.1° |
| C4 | C5 | N1 | C6 | 122.2° | 55.3° |
| C4 | C5 | N1 | C7 | 0.4° | 64.8° |
| C4 | C5 | N1 | C8 | 118.8° | 175.3° |
| C5 | C4 | O6 | HO6 | 180.0° | 180.0° |
| O6 | C4 | HC41 | HC42 | 118.9° | 120.0° |
| O6 | C4 | C5 | N1 | 89.0° | 67.6° |
| O6 | C4 | C5 | HC51 | 36.3° | 52.3° |
| O6 | C4 | C5 | HC52 | 145.8° | 172.4° |
| HC41 | C4 | C5 | N1 | 36.3° | 172.4° |
| HC41 | C4 | C5 | HC51 | 161.6° | 67.7° |
| HC41 | C4 | C5 | HC52 | 89.0° | 52.4° |
| HC41 | C4 | O6 | HO6 | 54.8° | 60.0° |
| HC42 | C4 | C5 | N1 | 145.8° | 52.4° |
| HC42 | C4 | C5 | HC51 | 89.0° | 172.3° |
| HC42 | C4 | C5 | HC52 | 20.5° | 67.6° |
| HC42 | C4 | O6 | HO6 | 54.8° | 60.0° |
| N1 | C5 | HC51 | HC52 | 114.1° | 120.0° |
| C5 | N1 | C6 | C7 | 123.4° | 120.0° |
| C5 | N1 | C6 | C8 | 119.5° | 120.0° |
| C5 | N1 | C6 | H61 | 179.9° | 60.0° |
| C5 | N1 | C6 | H62 | 54.7° | 60.0° |
| C5 | N1 | C6 | H63 | 54.7° | 180.0° |
| C5 | N1 | C7 | C8 | 119.4° | 120.0° |
| C5 | N1 | C7 | H71 | 180.0° | 170.1° |
| C5 | N1 | C7 | H72 | 54.7° | 50.1° |
| C5 | N1 | C7 | H73 | 54.8° | 70.0° |
| C5 | N1 | C8 | H81 | 179.9° | 59.9° |
| C5 | N1 | C8 | H82 | 54.7° | 60.0° |
| C5 | N1 | C8 | H83 | 54.8° | 180.0° |
| HC51 | C5 | N1 | C6 | 112.5° | 175.2° |
| HC51 | C5 | N1 | C7 | 125.6° | 55.2° |
| HC51 | C5 | N1 | C8 | 6.5° | 64.8° |
| HC52 | C5 | N1 | C6 | 3.1° | 64.8° |
| HC52 | C5 | N1 | C7 | 124.9° | 175.2° |
| HC52 | C5 | N1 | C8 | 115.9° | 55.2° |
| N1 | C6 | H61 | H62 | 125.3° | 120.1° |
| N1 | C6 | H61 | H63 | 125.3° | 120.0° |
| N1 | C6 | H62 | H63 | 117.2° | 120.0° |
| C6 | N1 | C7 | C8 | 116.8° | 120.0° |
| C6 | N1 | C7 | H71 | 56.2° | 70.0° |
| C6 | N1 | C7 | H72 | 69.0° | 170.1° |
| C6 | N1 | C7 | H73 | 178.5° | 50.0° |
| C6 | N1 | C8 | H81 | 58.3° | 60.0° |
| C6 | N1 | C8 | H82 | 176.3° | 180.0° |
| C6 | N1 | C8 | H83 | 66.8° | 60.0° |
| H61 | C6 | H62 | H63 | 117.2° | 119.9° |
| H61 | C6 | N1 | C7 | 56.7° | 59.9° |
| H61 | C6 | N1 | C8 | 60.4° | 180.0° |
| H62 | C6 | N1 | C7 | 178.1° | 180.0° |
| H62 | C6 | N1 | C8 | 64.8° | 60.0° |
| H63 | C6 | N1 | C7 | 68.7° | 60.0° |
| H63 | C6 | N1 | C8 | 174.2° | 60.0° |
| N1 | C7 | H71 | H72 | 125.2° | 120.0° |
| N1 | C7 | H71 | H73 | 125.2° | 120.0° |
| N1 | C7 | H72 | H73 | 117.4° | 120.1° |
| C7 | N1 | C8 | H81 | 59.0° | 179.9° |
| C7 | N1 | C8 | H82 | 66.3° | 60.0° |
| C7 | N1 | C8 | H83 | 175.8° | 60.0° |
| H71 | C7 | H72 | H73 | 117.5° | 119.9° |
| H71 | C7 | N1 | C8 | 60.6° | 50.1° |
| H72 | C7 | N1 | C8 | 174.2° | 69.9° |
| H73 | C7 | N1 | C8 | 64.6° | 170.0° |
| N1 | C8 | H81 | H82 | 125.4° | 120.0° |
| N1 | C8 | H81 | H83 | 125.2° | 120.0° |
| N1 | C8 | H82 | H83 | 118.4° | 120.0° |
| H81 | C8 | H82 | H83 | 118.3° | 120.0° |
