MHN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C8 | sing | 1.43Å | 1.45Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C7 | C6 | sing | 1.53Å | 1.55Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C6 | C5 | sing | 1.53Å | 1.55Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C5 | C4 | sing | 1.53Å | 1.57Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C4 | C2 | sing | 1.53Å | 1.59Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C2 | C1 | sing | 1.53Å | 1.57Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C1 | H13 | sing | 1.09Å | 1.11Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C3 | H33 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | O1 | HO1 | 107.5° | 106.9° |
| O1 | C8 | C7 | 107.4° | 109.6° |
| O1 | C8 | H81 | 113.0° | 109.4° |
| O1 | C8 | H82 | 113.0° | 109.5° |
| C7 | C8 | H81 | 113.0° | 109.4° |
| C7 | C8 | H82 | 112.9° | 109.6° |
| C8 | C7 | C6 | 112.7° | 109.5° |
| C8 | C7 | H71 | 111.0° | 109.4° |
| C8 | C7 | H72 | 111.1° | 109.5° |
| H81 | C8 | H82 | 97.5° | 109.4° |
| C6 | C7 | H71 | 111.0° | 109.4° |
| C6 | C7 | H72 | 111.0° | 109.5° |
| C7 | C6 | C5 | 112.4° | 109.5° |
| C7 | C6 | H61 | 111.2° | 109.5° |
| C7 | C6 | H62 | 111.1° | 109.5° |
| H71 | C7 | H72 | 99.3° | 109.5° |
| C5 | C6 | H61 | 111.1° | 109.5° |
| C5 | C6 | H62 | 111.1° | 109.5° |
| C6 | C5 | C4 | 111.7° | 109.6° |
| C6 | C5 | H51 | 111.4° | 109.4° |
| C6 | C5 | H52 | 111.4° | 109.5° |
| H61 | C6 | H62 | 99.2° | 109.4° |
| C4 | C5 | H51 | 111.4° | 109.5° |
| C4 | C5 | H52 | 111.4° | 109.5° |
| C5 | C4 | C2 | 119.2° | 109.5° |
| C5 | C4 | H41 | 108.7° | 109.4° |
| C5 | C4 | H42 | 108.7° | 109.5° |
| H51 | C5 | H52 | 99.0° | 109.4° |
| C2 | C4 | H41 | 108.7° | 109.4° |
| C2 | C4 | H42 | 108.7° | 109.5° |
| C4 | C2 | C1 | 111.5° | 109.5° |
| C4 | C2 | C3 | 110.9° | 109.5° |
| C4 | C2 | H2 | 106.5° | 109.4° |
| H41 | C4 | H42 | 101.3° | 109.4° |
| C1 | C2 | C3 | 107.6° | 109.4° |
| C1 | C2 | H2 | 109.8° | 109.4° |
| C2 | C1 | H11 | 111.5° | 109.5° |
| C2 | C1 | H12 | 111.5° | 109.5° |
| C2 | C1 | H13 | 111.5° | 109.5° |
| C3 | C2 | H2 | 110.5° | 109.5° |
| C2 | C3 | H31 | 110.9° | 109.5° |
| C2 | C3 | H32 | 111.7° | 109.4° |
| C2 | C3 | H33 | 111.7° | 109.5° |
| H11 | C1 | H12 | 111.4° | 109.5° |
| H11 | C1 | H13 | 111.4° | 109.4° |
| H12 | C1 | H13 | 98.9° | 109.5° |
| H31 | C3 | H32 | 111.7° | 109.5° |
| H31 | C3 | H33 | 111.7° | 109.5° |
| H32 | C3 | H33 | 98.7° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C8 | C7 | H81 | 125.3° | 119.9° |
| O1 | C8 | C7 | H82 | 125.2° | 120.1° |
| O1 | C8 | H81 | H82 | 118.9° | 119.9° |
| O1 | C8 | C7 | C6 | 179.5° | 180.0° |
| O1 | C8 | C7 | H71 | 55.2° | 60.1° |
| O1 | C8 | C7 | H72 | 54.2° | 59.9° |
| HO1 | O1 | C8 | C7 | 180.0° | 180.0° |
| HO1 | O1 | C8 | H81 | 54.7° | 60.1° |
| HO1 | O1 | C8 | H82 | 54.7° | 59.8° |
| C7 | C8 | H81 | H82 | 118.8° | 120.1° |
| C8 | C7 | C6 | H71 | 125.3° | 120.0° |
| C8 | C7 | C6 | H72 | 125.3° | 120.0° |
| C8 | C7 | H71 | H72 | 116.9° | 120.0° |
| C8 | C7 | C6 | C5 | 179.6° | 180.0° |
| C8 | C7 | C6 | H61 | 54.3° | 60.0° |
| C8 | C7 | C6 | H62 | 55.2° | 59.9° |
| H81 | C8 | C7 | C6 | 54.2° | 60.0° |
| H81 | C8 | C7 | H71 | 179.5° | 180.0° |
| H81 | C8 | C7 | H72 | 71.1° | 60.0° |
| H82 | C8 | C7 | C6 | 55.2° | 59.9° |
| H82 | C8 | C7 | H71 | 70.0° | 60.0° |
| H82 | C8 | C7 | H72 | 179.4° | 180.0° |
| C6 | C7 | H71 | H72 | 116.9° | 120.0° |
| C7 | C6 | C5 | H61 | 125.3° | 120.0° |
| C7 | C6 | C5 | H62 | 125.2° | 120.1° |
| C7 | C6 | H61 | H62 | 117.0° | 120.0° |
| C7 | C6 | C5 | C4 | 179.0° | 180.0° |
| C7 | C6 | C5 | H51 | 55.7° | 59.9° |
| C7 | C6 | C5 | H52 | 53.7° | 59.9° |
| H71 | C7 | C6 | C5 | 55.1° | 60.0° |
| H71 | C7 | C6 | H61 | 179.6° | 180.0° |
| H71 | C7 | C6 | H62 | 70.1° | 60.0° |
| H72 | C7 | C6 | C5 | 54.3° | 60.0° |
| H72 | C7 | C6 | H61 | 71.0° | 60.1° |
| H72 | C7 | C6 | H62 | 179.5° | 180.0° |
| C5 | C6 | H61 | H62 | 117.0° | 119.9° |
| C6 | C5 | C4 | H51 | 125.2° | 120.0° |
| C6 | C5 | C4 | H52 | 125.3° | 120.1° |
| C6 | C5 | H51 | H52 | 117.3° | 119.9° |
| C6 | C5 | C4 | C2 | 179.7° | 180.0° |
| C6 | C5 | C4 | H41 | 54.5° | 60.0° |
| C6 | C5 | C4 | H42 | 55.0° | 59.9° |
| H61 | C6 | C5 | C4 | 53.7° | 60.0° |
| H61 | C6 | C5 | H51 | 179.0° | 180.0° |
| H61 | C6 | C5 | H52 | 71.6° | 60.1° |
| H62 | C6 | C5 | C4 | 55.8° | 59.9° |
| H62 | C6 | C5 | H51 | 69.5° | 60.1° |
| H62 | C6 | C5 | H52 | 178.9° | NaN° |
| C4 | C5 | H51 | H52 | 117.3° | 120.0° |
| C5 | C4 | C2 | H41 | 125.3° | 119.9° |
| C5 | C4 | C2 | H42 | 125.2° | 120.1° |
| C5 | C4 | H41 | H42 | 114.4° | 120.0° |
| C5 | C4 | C2 | C1 | 29.1° | 180.0° |
| C5 | C4 | C2 | C3 | 90.8° | 60.0° |
| C5 | C4 | C2 | H2 | 148.9° | 60.1° |
| H51 | C5 | C4 | C2 | 55.0° | 60.0° |
| H51 | C5 | C4 | H41 | 179.7° | 180.0° |
| H51 | C5 | C4 | H42 | 70.2° | 60.1° |
| H52 | C5 | C4 | C2 | 54.4° | 59.9° |
| H52 | C5 | C4 | H41 | 70.8° | 60.0° |
| H52 | C5 | C4 | H42 | 179.7° | 180.0° |
| C2 | C4 | H41 | H42 | 114.4° | 120.0° |
| C4 | C2 | C1 | C3 | 121.8° | 120.0° |
| C4 | C2 | C1 | H2 | 117.8° | 120.0° |
| C4 | C2 | C3 | H2 | 117.9° | 120.0° |
| C4 | C2 | C1 | H11 | 180.0° | 180.0° |
| C4 | C2 | C1 | H12 | 54.7° | 60.0° |
| C4 | C2 | C1 | H13 | 54.7° | 60.1° |
| C4 | C2 | C3 | H31 | 180.0° | 60.0° |
| C4 | C2 | C3 | H32 | 54.7° | 60.0° |
| C4 | C2 | C3 | H33 | 54.8° | 179.9° |
| H41 | C4 | C2 | C1 | 154.3° | 60.0° |
| H41 | C4 | C2 | C3 | 34.5° | 60.0° |
| H41 | C4 | C2 | H2 | 85.9° | 180.0° |
| H42 | C4 | C2 | C1 | 96.2° | 59.9° |
| H42 | C4 | C2 | C3 | 144.0° | 179.9° |
| H42 | C4 | C2 | H2 | 23.6° | 60.1° |
| C1 | C2 | C3 | H2 | 119.9° | 119.9° |
| C2 | C1 | H11 | H12 | 125.3° | 120.0° |
| C2 | C1 | H11 | H13 | 125.3° | 120.0° |
| C2 | C1 | H12 | H13 | 117.4° | 120.0° |
| C1 | C2 | C3 | H31 | 57.8° | 60.1° |
| C1 | C2 | C3 | H32 | 67.4° | 180.0° |
| C1 | C2 | C3 | H33 | 177.0° | 60.0° |
| C3 | C2 | C1 | H11 | 58.2° | 59.9° |
| C3 | C2 | C1 | H12 | 176.5° | 180.0° |
| C3 | C2 | C1 | H13 | 67.1° | 60.0° |
| C2 | C3 | H31 | H32 | 125.2° | 120.0° |
| C2 | C3 | H31 | H33 | 125.2° | 120.1° |
| C2 | C3 | H32 | H33 | 117.6° | 120.0° |
| H2 | C2 | C1 | H11 | 62.2° | 60.0° |
| H2 | C2 | C1 | H12 | 63.1° | 60.0° |
| H2 | C2 | C1 | H13 | 172.6° | 180.0° |
| H2 | C2 | C3 | H31 | 62.1° | 180.0° |
| H2 | C2 | C3 | H32 | 172.6° | 60.0° |
| H2 | C2 | C3 | H33 | 63.1° | 59.9° |
| H11 | C1 | H12 | H13 | 117.3° | 119.9° |
| H31 | C3 | H32 | H33 | 117.6° | 120.0° |
