DNH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C5 | sing | 1.53Å | 1.53Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C8 | C6 | sing | 1.53Å | 1.53Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | N1 | sing | 1.47Å | 1.49Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| C4 | C6 | sing | 1.53Å | 1.53Å | |
| C4 | N2 | sing | 1.47Å | 1.49Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| N1 | H11 | sing | 1.01Å | 1.02Å | |
| N1 | H12 | sing | 1.01Å | 1.02Å | |
| N2 | H21 | sing | 1.01Å | 1.02Å | |
| N2 | H22 | sing | 1.01Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C5 | 111.6° | 109.5° |
| C8 | C7 | H71 | 111.4° | 109.5° |
| C8 | C7 | H72 | 111.4° | 109.4° |
| C7 | C8 | C6 | 111.9° | 109.5° |
| C7 | C8 | H81 | 111.3° | 109.4° |
| C7 | C8 | H82 | 111.3° | 109.5° |
| C5 | C7 | H71 | 111.4° | 109.5° |
| C5 | C7 | H72 | 111.4° | 109.5° |
| C7 | C5 | C3 | 109.2° | 109.5° |
| C7 | C5 | H51 | 112.3° | 109.4° |
| C7 | C5 | H52 | 112.3° | 109.5° |
| H71 | C7 | H72 | 99.0° | 109.4° |
| C6 | C8 | H81 | 111.3° | 109.5° |
| C6 | C8 | H82 | 111.4° | 109.5° |
| C8 | C6 | C4 | 109.6° | 109.5° |
| C8 | C6 | H61 | 112.1° | 109.5° |
| C8 | C6 | H62 | 112.1° | 109.4° |
| H81 | C8 | H82 | 99.1° | 109.4° |
| C4 | C3 | C5 | 109.4° | 109.5° |
| C4 | C3 | N1 | 107.5° | 109.5° |
| C4 | C3 | H3 | 111.5° | 109.4° |
| C3 | C4 | C6 | 110.1° | 109.5° |
| C3 | C4 | N2 | 106.7° | 109.5° |
| C3 | C4 | H4 | 111.9° | 109.4° |
| C5 | C3 | N1 | 111.5° | 109.5° |
| C5 | C3 | H3 | 107.6° | 109.5° |
| C3 | C5 | H51 | 112.3° | 109.4° |
| C3 | C5 | H52 | 112.3° | 109.5° |
| N1 | C3 | H3 | 109.4° | 109.5° |
| C3 | N1 | H11 | 107.5° | 106.7° |
| C3 | N1 | H12 | 113.0° | 106.7° |
| C6 | C4 | N2 | 112.4° | 109.5° |
| C6 | C4 | H4 | 106.2° | 109.5° |
| C4 | C6 | H61 | 112.1° | 109.5° |
| C4 | C6 | H62 | 112.1° | 109.4° |
| N2 | C4 | H4 | 109.7° | 109.5° |
| C4 | N2 | H21 | 106.7° | 106.7° |
| C4 | N2 | H22 | 113.2° | 106.7° |
| H51 | C5 | H52 | 98.1° | 109.5° |
| H61 | C6 | H62 | 98.3° | 109.5° |
| H11 | N1 | H12 | 112.9° | 106.7° |
| H21 | N2 | H22 | 113.3° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C5 | H71 | 125.3° | 120.1° |
| C8 | C7 | C5 | H72 | 125.3° | 119.9° |
| C8 | C7 | H71 | H72 | 117.3° | 119.9° |
| C7 | C8 | C6 | H81 | 125.2° | 119.9° |
| C7 | C8 | C6 | H82 | 125.3° | 120.1° |
| C7 | C8 | H81 | H82 | 117.2° | 120.0° |
| C8 | C7 | C5 | C3 | 55.9° | 59.9° |
| C7 | C8 | C6 | C4 | 55.0° | 59.9° |
| C8 | C7 | C5 | H51 | 178.8° | 60.0° |
| C8 | C7 | C5 | H52 | 69.4° | 180.0° |
| C7 | C8 | C6 | H61 | 179.8° | 180.0° |
| C7 | C8 | C6 | H62 | 70.3° | 60.0° |
| C5 | C7 | H71 | H72 | 117.3° | 120.0° |
| C5 | C7 | C8 | C6 | 54.4° | 59.9° |
| C5 | C7 | C8 | H81 | 70.9° | 60.0° |
| C5 | C7 | C8 | H82 | 179.7° | 179.9° |
| C7 | C5 | C3 | C4 | 59.8° | 59.9° |
| C7 | C5 | C3 | H51 | 125.3° | 120.0° |
| C7 | C5 | C3 | H52 | 125.3° | 120.1° |
| C7 | C5 | C3 | N1 | 178.6° | 180.0° |
| C7 | C5 | C3 | H3 | 61.5° | 60.0° |
| C7 | C5 | H51 | H52 | 118.2° | 120.0° |
| H71 | C7 | C8 | C6 | 70.9° | 179.9° |
| H71 | C7 | C8 | H81 | 163.9° | 60.1° |
| H71 | C7 | C8 | H82 | 54.4° | 59.8° |
| H71 | C7 | C5 | C3 | 69.4° | 180.0° |
| H71 | C7 | C5 | H51 | 55.9° | 60.1° |
| H71 | C7 | C5 | H52 | 165.3° | 59.9° |
| H72 | C7 | C8 | C6 | 179.6° | 60.0° |
| H72 | C7 | C8 | H81 | 54.4° | 180.0° |
| H72 | C7 | C8 | H82 | 55.1° | 60.1° |
| H72 | C7 | C5 | C3 | 178.9° | 60.0° |
| H72 | C7 | C5 | H51 | 53.5° | 180.0° |
| H72 | C7 | C5 | H52 | 55.8° | 60.1° |
| C6 | C8 | H81 | H82 | 117.3° | 120.0° |
| C8 | C6 | C4 | C3 | 59.3° | 59.9° |
| C8 | C6 | C4 | H61 | 125.2° | 120.1° |
| C8 | C6 | C4 | H62 | 125.3° | 120.0° |
| C8 | C6 | C4 | N2 | 178.1° | 180.0° |
| C8 | C6 | C4 | H4 | 62.0° | 60.0° |
| C8 | C6 | H61 | H62 | 118.1° | 120.0° |
| H81 | C8 | C6 | C4 | 70.2° | 60.0° |
| H81 | C8 | C6 | H61 | 55.0° | 60.1° |
| H81 | C8 | C6 | H62 | 164.5° | 180.0° |
| H82 | C8 | C6 | C4 | 179.7° | 180.0° |
| H82 | C8 | C6 | H61 | 54.5° | 59.9° |
| H82 | C8 | C6 | H62 | 55.0° | 60.1° |
| C4 | C3 | C5 | N1 | 118.8° | 120.1° |
| C4 | C3 | C5 | H3 | 121.3° | 119.9° |
| C4 | C3 | N1 | H3 | 121.3° | 119.9° |
| C3 | C4 | C6 | N2 | 118.8° | 120.1° |
| C3 | C4 | C6 | H4 | 121.3° | 119.9° |
| C3 | C4 | N2 | H4 | 121.3° | 119.9° |
| C4 | C3 | C5 | H51 | 174.9° | 60.0° |
| C4 | C3 | C5 | H52 | 65.5° | 180.0° |
| C3 | C4 | C6 | H61 | 175.5° | 180.0° |
| C3 | C4 | C6 | H62 | 66.0° | 60.0° |
| C4 | C3 | N1 | H11 | 179.9° | 179.9° |
| C4 | C3 | N1 | H12 | 54.7° | 66.2° |
| C3 | C4 | N2 | H21 | 180.0° | 179.9° |
| C3 | C4 | N2 | H22 | 54.7° | 66.2° |
| C5 | C3 | N1 | H3 | 118.8° | 120.0° |
| C5 | C3 | C4 | C6 | 62.2° | 59.9° |
| C5 | C3 | C4 | N2 | 175.6° | 180.0° |
| C5 | C3 | C4 | H4 | 55.7° | 60.0° |
| C3 | C5 | H51 | H52 | 118.2° | 120.0° |
| C5 | C3 | N1 | H11 | 60.1° | 60.0° |
| C5 | C3 | N1 | H12 | 174.6° | 53.8° |
| N1 | C3 | C4 | C6 | 176.6° | 180.0° |
| N1 | C3 | C4 | N2 | 54.4° | 59.9° |
| N1 | C3 | C4 | H4 | 65.5° | 60.0° |
| N1 | C3 | C5 | H51 | 56.1° | 60.1° |
| N1 | C3 | C5 | H52 | 53.3° | 59.9° |
| C3 | N1 | H11 | H12 | 125.4° | 113.8° |
| H3 | C3 | C4 | C6 | 56.7° | 60.0° |
| H3 | C3 | C4 | N2 | 65.5° | 60.0° |
| H3 | C3 | C4 | H4 | 174.5° | 180.0° |
| H3 | C3 | C5 | H51 | 63.8° | 180.0° |
| H3 | C3 | C5 | H52 | 173.3° | 60.1° |
| H3 | C3 | N1 | H11 | 58.8° | 60.0° |
| H3 | C3 | N1 | H12 | 66.6° | 173.8° |
| C6 | C4 | N2 | H4 | 117.9° | 120.0° |
| C4 | C6 | H61 | H62 | 118.1° | 120.0° |
| C6 | C4 | N2 | H21 | 59.2° | 60.0° |
| C6 | C4 | N2 | H22 | 175.5° | 53.8° |
| N2 | C4 | C6 | H61 | 56.7° | 59.9° |
| N2 | C4 | C6 | H62 | 52.8° | 60.1° |
| C4 | N2 | H21 | H22 | 125.2° | 113.8° |
| H4 | C4 | C6 | H61 | 63.2° | 60.1° |
| H4 | C4 | C6 | H62 | 172.7° | 180.0° |
| H4 | C4 | N2 | H21 | 58.6° | 60.0° |
| H4 | C4 | N2 | H22 | 66.6° | 173.8° |
