NMH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C7 | HC71 | sing | 1.09Å | 1.11Å | |
| C7 | HC72 | sing | 1.09Å | 1.11Å | |
| C7 | HC73 | sing | 1.09Å | 1.12Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | HC61 | sing | 1.09Å | 1.11Å | |
| C6 | HC62 | sing | 1.09Å | 1.11Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | HC51 | sing | 1.09Å | 1.12Å | |
| C5 | HC52 | sing | 1.09Å | 1.12Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | HC41 | sing | 1.09Å | 1.11Å | |
| C4 | HC42 | sing | 1.09Å | 1.11Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | HC31 | sing | 1.09Å | 1.11Å | |
| C3 | HC32 | sing | 1.09Å | 1.12Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C2 | N | sing | 1.46Å | 1.46Å | |
| C2 | HC2 | sing | 1.09Å | 1.11Å | |
| C1 | HC11 | sing | 1.09Å | 1.11Å | |
| C1 | HC12 | sing | 1.09Å | 1.11Å | |
| C1 | HC13 | sing | 1.09Å | 1.12Å | |
| N | C | sing | 1.35Å | 1.33Å | |
| N | HN' | sing | 0.97Å | 1.02Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C | HC' | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | HC71 | 112.5° | 109.5° |
| C6 | C7 | HC72 | 111.1° | 109.5° |
| C6 | C7 | HC73 | 111.1° | 109.5° |
| C7 | C6 | C5 | 112.5° | 109.5° |
| C7 | C6 | HC61 | 111.1° | 109.5° |
| C7 | C6 | HC62 | 111.1° | 109.5° |
| HC71 | C7 | HC72 | 111.1° | 109.4° |
| HC71 | C7 | HC73 | 111.1° | 109.5° |
| HC72 | C7 | HC73 | 99.2° | 109.5° |
| C5 | C6 | HC61 | 111.1° | 109.5° |
| C5 | C6 | HC62 | 111.1° | 109.4° |
| C6 | C5 | C4 | 113.0° | 109.5° |
| C6 | C5 | HC51 | 110.9° | 109.5° |
| C6 | C5 | HC52 | 111.0° | 109.4° |
| HC61 | C6 | HC62 | 99.3° | 109.5° |
| C4 | C5 | HC51 | 110.9° | 109.5° |
| C4 | C5 | HC52 | 110.9° | 109.5° |
| C5 | C4 | C3 | 108.6° | 109.5° |
| C5 | C4 | HC41 | 112.6° | 109.5° |
| C5 | C4 | HC42 | 112.5° | 109.4° |
| HC51 | C5 | HC52 | 99.4° | 109.5° |
| C3 | C4 | HC41 | 112.5° | 109.5° |
| C3 | C4 | HC42 | 112.5° | 109.5° |
| C4 | C3 | C2 | 116.8° | 109.5° |
| C4 | C3 | HC31 | 109.6° | 109.5° |
| C4 | C3 | HC32 | 109.6° | 109.4° |
| HC41 | C4 | HC42 | 98.0° | 109.5° |
| C2 | C3 | HC31 | 109.5° | 109.5° |
| C2 | C3 | HC32 | 109.5° | 109.5° |
| C3 | C2 | C1 | 110.8° | 109.5° |
| C3 | C2 | N | 109.2° | 109.5° |
| C3 | C2 | HC2 | 108.3° | 109.5° |
| HC31 | C3 | HC32 | 100.6° | 109.4° |
| C1 | C2 | N | 108.0° | 109.4° |
| C1 | C2 | HC2 | 109.5° | 109.5° |
| C2 | C1 | HC11 | 110.8° | 109.5° |
| C2 | C1 | HC12 | 111.7° | 109.4° |
| C2 | C1 | HC13 | 111.7° | 109.5° |
| N | C2 | HC2 | 111.0° | 109.5° |
| C2 | N | C | 126.3° | 120.0° |
| C2 | N | HN' | 122.1° | 120.0° |
| HC11 | C1 | HC12 | 111.7° | 109.5° |
| HC11 | C1 | HC13 | 111.8° | 109.5° |
| HC12 | C1 | HC13 | 98.7° | 109.4° |
| C | N | HN' | 111.6° | 119.9° |
| N | C | O | 123.6° | 120.0° |
| N | C | HC' | 122.8° | 120.0° |
| O | C | HC' | 113.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | HC71 | HC72 | 125.3° | 119.9° |
| C6 | C7 | HC71 | HC73 | 125.3° | 120.1° |
| C6 | C7 | HC72 | HC73 | 116.9° | 120.1° |
| C7 | C6 | C5 | HC61 | 125.2° | 120.0° |
| C7 | C6 | C5 | HC62 | 125.2° | 120.0° |
| C7 | C6 | HC61 | HC62 | 117.0° | 120.0° |
| C7 | C6 | C5 | C4 | 166.4° | 180.0° |
| C7 | C6 | C5 | HC51 | 41.1° | 60.0° |
| C7 | C6 | C5 | HC52 | 68.3° | 60.0° |
| HC71 | C7 | HC72 | HC73 | 117.0° | 120.0° |
| HC71 | C7 | C6 | C5 | 180.0° | 180.0° |
| HC71 | C7 | C6 | HC61 | 54.8° | 59.9° |
| HC71 | C7 | C6 | HC62 | 54.7° | 60.1° |
| HC72 | C7 | C6 | C5 | 54.7° | 60.1° |
| HC72 | C7 | C6 | HC61 | 70.5° | 60.0° |
| HC72 | C7 | C6 | HC62 | 179.9° | 179.9° |
| HC73 | C7 | C6 | C5 | 54.7° | 60.0° |
| HC73 | C7 | C6 | HC61 | 179.9° | 179.9° |
| HC73 | C7 | C6 | HC62 | 70.5° | 60.0° |
| C5 | C6 | HC61 | HC62 | 117.0° | 120.0° |
| C6 | C5 | C4 | HC51 | 125.3° | 120.0° |
| C6 | C5 | C4 | HC52 | 125.3° | 120.0° |
| C6 | C5 | HC51 | HC52 | 116.8° | 120.0° |
| C6 | C5 | C4 | C3 | 151.0° | 180.0° |
| C6 | C5 | C4 | HC41 | 83.8° | 60.0° |
| C6 | C5 | C4 | HC42 | 25.8° | 60.0° |
| HC61 | C6 | C5 | C4 | 68.4° | 60.0° |
| HC61 | C6 | C5 | HC51 | 166.4° | 180.0° |
| HC61 | C6 | C5 | HC52 | 56.9° | 60.0° |
| HC62 | C6 | C5 | C4 | 41.1° | 60.0° |
| HC62 | C6 | C5 | HC51 | 84.1° | 60.0° |
| HC62 | C6 | C5 | HC52 | 166.4° | 180.0° |
| C4 | C5 | HC51 | HC52 | 116.7° | 120.0° |
| C5 | C4 | C3 | HC41 | 125.3° | 120.0° |
| C5 | C4 | C3 | HC42 | 125.2° | 120.0° |
| C5 | C4 | HC41 | HC42 | 118.5° | 119.9° |
| C5 | C4 | C3 | C2 | 177.8° | 180.0° |
| C5 | C4 | C3 | HC31 | 56.9° | 59.9° |
| C5 | C4 | C3 | HC32 | 52.5° | 60.0° |
| HC51 | C5 | C4 | C3 | 25.7° | 60.0° |
| HC51 | C5 | C4 | HC41 | 151.0° | 180.0° |
| HC51 | C5 | C4 | HC42 | 99.5° | 60.0° |
| HC52 | C5 | C4 | C3 | 83.7° | 60.0° |
| HC52 | C5 | C4 | HC41 | 41.6° | 60.0° |
| HC52 | C5 | C4 | HC42 | 151.1° | 180.0° |
| C3 | C4 | HC41 | HC42 | 118.4° | 120.0° |
| C4 | C3 | C2 | HC31 | 125.3° | 120.0° |
| C4 | C3 | C2 | HC32 | 125.3° | 120.0° |
| C4 | C3 | HC31 | HC32 | 115.4° | 119.9° |
| C4 | C3 | C2 | C1 | 65.3° | 180.0° |
| C4 | C3 | C2 | N | 175.8° | 60.0° |
| C4 | C3 | C2 | HC2 | 54.8° | 60.0° |
| HC41 | C4 | C3 | C2 | 52.5° | 60.0° |
| HC41 | C4 | C3 | HC31 | 177.8° | 179.9° |
| HC41 | C4 | C3 | HC32 | 72.7° | 60.0° |
| HC42 | C4 | C3 | C2 | 57.0° | 60.0° |
| HC42 | C4 | C3 | HC31 | 68.3° | 60.0° |
| HC42 | C4 | C3 | HC32 | 177.8° | 180.0° |
| C2 | C3 | HC31 | HC32 | 115.3° | 120.0° |
| C3 | C2 | C1 | N | 119.6° | 120.0° |
| C3 | C2 | C1 | HC2 | 119.4° | 120.0° |
| C3 | C2 | N | HC2 | 119.4° | 120.0° |
| C3 | C2 | C1 | HC11 | 180.0° | 60.0° |
| C3 | C2 | C1 | HC12 | 54.7° | 180.0° |
| C3 | C2 | C1 | HC13 | 54.7° | 60.0° |
| C3 | C2 | N | C | 141.2° | 150.0° |
| C3 | C2 | N | HN' | 38.8° | 30.0° |
| HC31 | C3 | C2 | C1 | 60.0° | 60.0° |
| HC31 | C3 | C2 | N | 58.9° | 180.0° |
| HC31 | C3 | C2 | HC2 | 179.9° | 60.0° |
| HC32 | C3 | C2 | C1 | 169.4° | 60.0° |
| HC32 | C3 | C2 | N | 50.5° | 60.0° |
| HC32 | C3 | C2 | HC2 | 70.5° | 180.0° |
| C1 | C2 | N | HC2 | 120.0° | 120.0° |
| C2 | C1 | HC11 | HC12 | 125.2° | 120.0° |
| C2 | C1 | HC11 | HC13 | 125.2° | 120.0° |
| C2 | C1 | HC12 | HC13 | 117.6° | 120.0° |
| C1 | C2 | N | C | 98.2° | 90.0° |
| C1 | C2 | N | HN' | 81.8° | 90.0° |
| N | C2 | C1 | HC11 | 60.4° | 60.0° |
| N | C2 | C1 | HC12 | 174.4° | 60.0° |
| N | C2 | C1 | HC13 | 64.9° | 180.0° |
| C2 | N | C | HN' | 180.0° | 180.0° |
| C2 | N | C | O | 4.7° | 0.0° |
| C2 | N | C | HC' | 175.4° | 180.0° |
| HC2 | C2 | C1 | HC11 | 60.6° | 180.0° |
| HC2 | C2 | C1 | HC12 | 64.7° | 60.0° |
| HC2 | C2 | C1 | HC13 | 174.1° | 60.0° |
| HC2 | C2 | N | C | 21.8° | 30.0° |
| HC2 | C2 | N | HN' | 158.1° | 150.0° |
| HC11 | C1 | HC12 | HC13 | 117.7° | 120.0° |
| N | C | O | HC' | 180.0° | 180.0° |
| HN' | N | C | O | 175.3° | 180.0° |
| HN' | N | C | HC' | 4.7° | 0.0° |
