NWH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.25Å | |
| C | N | sing | 1.35Å | 1.33Å | |
| N | C2 | sing | 1.47Å | 1.45Å | |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| N | H16 | sing | 0.97Å | 1.00Å | |
| C | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | N | 125.1° | 120.0° |
| O | C | H17 | 117.5° | 120.1° |
| C | N | C2 | 126.4° | 120.0° |
| C | N | H16 | 116.8° | 120.0° |
| N | C | H17 | 117.4° | 120.0° |
| N | C2 | C1 | 110.1° | 109.5° |
| N | C2 | C3 | 106.8° | 109.4° |
| N | C2 | H12 | 108.4° | 109.4° |
| C2 | N | H16 | 116.8° | 120.0° |
| C1 | C2 | C3 | 115.8° | 109.5° |
| C1 | C2 | H12 | 107.8° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.4° |
| C2 | C1 | H14 | 109.5° | 109.4° |
| C2 | C1 | H15 | 109.5° | 109.5° |
| C2 | C3 | C4 | 119.1° | 109.5° |
| C2 | C3 | H10 | 107.0° | 109.4° |
| C2 | C3 | H11 | 107.0° | 109.4° |
| C3 | C2 | H12 | 107.7° | 109.5° |
| C3 | C4 | C5 | 112.4° | 109.5° |
| C3 | C4 | H8 | 108.7° | 109.5° |
| C3 | C4 | H9 | 108.7° | 109.5° |
| C4 | C3 | H10 | 107.0° | 109.5° |
| C4 | C3 | H11 | 107.0° | 109.5° |
| C4 | C5 | C6 | 120.6° | 109.5° |
| C4 | C5 | H6 | 106.6° | 109.4° |
| C4 | C5 | H7 | 106.6° | 109.5° |
| C5 | C4 | H8 | 108.7° | 109.4° |
| C5 | C4 | H9 | 108.7° | 109.5° |
| C5 | C6 | C7 | 113.8° | 109.5° |
| C5 | C6 | H4 | 108.4° | 109.4° |
| C5 | C6 | H5 | 108.4° | 109.5° |
| C6 | C5 | H6 | 106.6° | 109.4° |
| C6 | C5 | H7 | 106.6° | 109.5° |
| C6 | C7 | H1 | 109.5° | 109.5° |
| C6 | C7 | H2 | 109.5° | 109.5° |
| C6 | C7 | H3 | 109.5° | 109.5° |
| C7 | C6 | H4 | 108.4° | 109.5° |
| C7 | C6 | H5 | 108.4° | 109.5° |
| H1 | C7 | H2 | 109.4° | 109.4° |
| H1 | C7 | H3 | 109.5° | 109.5° |
| H2 | C7 | H3 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| H8 | C4 | H9 | 109.5° | 109.5° |
| H10 | C3 | H11 | 109.5° | 109.5° |
| H13 | C1 | H14 | 109.5° | 109.5° |
| H13 | C1 | H15 | 109.4° | 109.5° |
| H14 | C1 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | N | H17 | 180.0° | 180.0° |
| O | C | N | C2 | 0.6° | 0.0° |
| O | C | N | H16 | 179.4° | 180.0° |
| C | N | C2 | H16 | 180.0° | 179.9° |
| C | N | C2 | C1 | 127.5° | 85.0° |
| C | N | C2 | C3 | 106.1° | 155.0° |
| C | N | C2 | H12 | 9.7° | 35.0° |
| N | C2 | C1 | C3 | 121.2° | 120.0° |
| N | C2 | C1 | H12 | 118.1° | 120.0° |
| N | C2 | C3 | H12 | 116.3° | 119.9° |
| N | C2 | C3 | C4 | 86.6° | 65.0° |
| N | C2 | C3 | H10 | 34.8° | 55.0° |
| N | C2 | C3 | H11 | 152.0° | 175.0° |
| N | C2 | C1 | H13 | 180.0° | 60.0° |
| N | C2 | C1 | H14 | 60.0° | 180.0° |
| N | C2 | C1 | H15 | 60.0° | 60.0° |
| C2 | N | C | H17 | 179.4° | 180.0° |
| C1 | C2 | C3 | H12 | 120.8° | 120.0° |
| C1 | C2 | C3 | C4 | 36.4° | 175.0° |
| C1 | C2 | C3 | H10 | 157.7° | 65.0° |
| C1 | C2 | C3 | H11 | 85.0° | 55.0° |
| C2 | C1 | H13 | H14 | 120.0° | 120.0° |
| C2 | C1 | H13 | H15 | 120.0° | 120.0° |
| C2 | C1 | H14 | H15 | 120.0° | 120.0° |
| C1 | C2 | N | H16 | 52.5° | 95.0° |
| C2 | C3 | C4 | H10 | 121.4° | 120.0° |
| C2 | C3 | C4 | H11 | 121.3° | 120.0° |
| C2 | C3 | C4 | C5 | 179.3° | 180.0° |
| C2 | C3 | C4 | H8 | 58.8° | 60.0° |
| C2 | C3 | C4 | H9 | 60.3° | 60.0° |
| C2 | C3 | H10 | H11 | 115.6° | 120.0° |
| C3 | C2 | C1 | H13 | 58.8° | 60.0° |
| C3 | C2 | C1 | H14 | 178.8° | 60.0° |
| C3 | C2 | C1 | H15 | 61.2° | 180.0° |
| C3 | C2 | N | H16 | 73.9° | 25.1° |
| C3 | C4 | C5 | H8 | 120.4° | 120.0° |
| C3 | C4 | C5 | H9 | 120.4° | 120.0° |
| C3 | C4 | C5 | C6 | 171.9° | 180.0° |
| C3 | C4 | C5 | H6 | 66.6° | 60.0° |
| C3 | C4 | C5 | H7 | 50.3° | 60.0° |
| C3 | C4 | H8 | H9 | 118.7° | 120.1° |
| C4 | C3 | H10 | H11 | 115.6° | 120.1° |
| C4 | C3 | C2 | H12 | 157.1° | 55.0° |
| C4 | C5 | C6 | H6 | 121.6° | 120.0° |
| C4 | C5 | C6 | H7 | 121.6° | 120.1° |
| C4 | C5 | C6 | C7 | 163.1° | 180.0° |
| C4 | C5 | C6 | H4 | 76.3° | 60.0° |
| C4 | C5 | C6 | H5 | 42.5° | 59.9° |
| C4 | C5 | H6 | H7 | 115.0° | 120.0° |
| C5 | C4 | H8 | H9 | 118.7° | 120.0° |
| C5 | C4 | C3 | H10 | 59.4° | 60.1° |
| C5 | C4 | C3 | H11 | 57.9° | 60.0° |
| C5 | C6 | C7 | H4 | 120.6° | 119.9° |
| C5 | C6 | C7 | H5 | 120.7° | 120.1° |
| C5 | C6 | C7 | H1 | 180.0° | 60.1° |
| C5 | C6 | C7 | H2 | 60.0° | 180.0° |
| C5 | C6 | C7 | H3 | 60.0° | 59.9° |
| C5 | C6 | H4 | H5 | 118.1° | 120.0° |
| C6 | C5 | H6 | H7 | 114.9° | 120.0° |
| C6 | C5 | C4 | H8 | 51.5° | 60.0° |
| C6 | C5 | C4 | H9 | 67.7° | 59.9° |
| C6 | C7 | H1 | H2 | 120.0° | 120.0° |
| C6 | C7 | H1 | H3 | 120.0° | 120.0° |
| C6 | C7 | H2 | H3 | 120.0° | 120.1° |
| C7 | C6 | H4 | H5 | 118.0° | 120.0° |
| C7 | C6 | C5 | H6 | 41.6° | 60.0° |
| C7 | C6 | C5 | H7 | 75.3° | 59.9° |
| H1 | C7 | H2 | H3 | 120.0° | 120.0° |
| H1 | C7 | C6 | H4 | 59.4° | 180.0° |
| H1 | C7 | C6 | H5 | 59.3° | 60.0° |
| H2 | C7 | C6 | H4 | 179.4° | 60.1° |
| H2 | C7 | C6 | H5 | 60.6° | 59.9° |
| H3 | C7 | C6 | H4 | 60.7° | 60.0° |
| H3 | C7 | C6 | H5 | 179.4° | 180.0° |
| H4 | C6 | C5 | H6 | 162.2° | 180.0° |
| H4 | C6 | C5 | H7 | 45.3° | 60.0° |
| H5 | C6 | C5 | H6 | 79.1° | 60.0° |
| H5 | C6 | C5 | H7 | 164.1° | 180.0° |
| H6 | C5 | C4 | H8 | 173.0° | 180.0° |
| H6 | C5 | C4 | H9 | 53.9° | 60.0° |
| H7 | C5 | C4 | H8 | 70.1° | 60.0° |
| H7 | C5 | C4 | H9 | 170.8° | 180.0° |
| H8 | C4 | C3 | H10 | 179.8° | 180.0° |
| H8 | C4 | C3 | H11 | 62.5° | 59.9° |
| H9 | C4 | C3 | H10 | 61.0° | 60.0° |
| H9 | C4 | C3 | H11 | 178.3° | 180.0° |
| H10 | C3 | C2 | H12 | 81.5° | 175.0° |
| H11 | C3 | C2 | H12 | 35.8° | 65.0° |
| H12 | C2 | C1 | H13 | 61.9° | 180.0° |
| H12 | C2 | C1 | H14 | 58.2° | 60.1° |
| H12 | C2 | C1 | H15 | 178.1° | 60.0° |
| H12 | C2 | N | H16 | 170.3° | 145.0° |
| H13 | C1 | H14 | H15 | 120.0° | 120.0° |
| H16 | N | C | H17 | 0.6° | 0.0° |
