W2J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | N | sing | 1.47Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| O | C | sing | 1.43Å | 1.42Å | |
| N | C2 | sing | 1.47Å | 1.47Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | C | sing | 1.53Å | 1.51Å | |
| C1 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C6 | sing | 1.53Å | 1.53Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O | H7 | sing | 0.97Å | 0.95Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| N | H13 | sing | 1.01Å | 1.00Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C3 | C4 | 113.1° | 109.5° |
| C3 | N | C2 | 112.5° | 111.2° |
| N | C3 | H11 | 108.6° | 109.5° |
| N | C3 | H12 | 108.6° | 109.5° |
| C3 | N | H13 | 108.7° | 111.0° |
| C3 | C4 | C5 | 110.4° | 109.5° |
| C3 | C4 | C6 | 113.4° | 109.3° |
| C3 | C4 | H1 | 107.2° | 109.5° |
| C4 | C3 | H11 | 108.5° | 109.5° |
| C4 | C3 | H12 | 108.6° | 109.5° |
| O | C | C1 | 112.0° | 109.4° |
| C | O | H7 | 109.5° | 114.0° |
| O | C | H8 | 108.8° | 109.5° |
| O | C | H9 | 108.9° | 109.5° |
| N | C2 | C1 | 115.7° | 109.6° |
| C2 | N | H13 | 108.7° | 111.0° |
| N | C2 | H15 | 107.9° | 109.5° |
| N | C2 | H16 | 107.9° | 109.5° |
| C2 | C1 | C | 110.5° | 109.5° |
| C2 | C1 | C6 | 109.5° | 109.2° |
| C2 | C1 | H10 | 108.3° | 109.5° |
| C1 | C2 | H15 | 107.9° | 109.4° |
| C1 | C2 | H16 | 107.9° | 109.5° |
| C | C1 | C6 | 111.6° | 109.5° |
| C1 | C | H8 | 108.8° | 109.5° |
| C1 | C | H9 | 108.8° | 109.4° |
| C | C1 | H10 | 108.5° | 109.5° |
| C1 | C6 | C4 | 110.4° | 109.1° |
| C1 | C6 | H5 | 109.2° | 109.5° |
| C1 | C6 | H6 | 109.2° | 109.6° |
| C6 | C1 | H10 | 108.3° | 109.5° |
| C5 | C4 | C6 | 111.1° | 109.6° |
| C5 | C4 | H1 | 107.3° | 109.5° |
| C4 | C5 | H2 | 109.5° | 109.5° |
| C4 | C5 | H3 | 109.5° | 109.5° |
| C4 | C5 | H4 | 109.5° | 109.5° |
| C6 | C4 | H1 | 107.1° | 109.5° |
| C4 | C6 | H5 | 109.2° | 109.5° |
| C4 | C6 | H6 | 109.2° | 109.5° |
| H2 | C5 | H3 | 109.5° | 109.5° |
| H2 | C5 | H4 | 109.5° | 109.4° |
| H3 | C5 | H4 | 109.4° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H8 | C | H9 | 109.5° | 109.5° |
| H11 | C3 | H12 | 109.5° | 109.4° |
| H15 | C2 | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C3 | C4 | H11 | 120.5° | 120.0° |
| N | C3 | C4 | H12 | 120.5° | 120.0° |
| C3 | N | C2 | H13 | 120.5° | 124.1° |
| C3 | N | C2 | C1 | 19.1° | 61.7° |
| N | C3 | C4 | C5 | 160.3° | 60.8° |
| N | C3 | C4 | C6 | 34.9° | 59.2° |
| N | C3 | C4 | H1 | 83.1° | 179.1° |
| N | C3 | H11 | H12 | 118.4° | 119.9° |
| C3 | N | C2 | H15 | 140.0° | 178.2° |
| C3 | N | C2 | H16 | 101.8° | 58.3° |
| C4 | C3 | N | C2 | 57.8° | 61.7° |
| C3 | C4 | C6 | C1 | 23.3° | 57.7° |
| C3 | C4 | C5 | C6 | 126.7° | 119.8° |
| C3 | C4 | C5 | H1 | 116.5° | 120.1° |
| C3 | C4 | C6 | H1 | 118.1° | 119.9° |
| C3 | C4 | C5 | H2 | 180.0° | 59.9° |
| C3 | C4 | C5 | H3 | 60.0° | 60.2° |
| C3 | C4 | C5 | H4 | 60.0° | 179.8° |
| C3 | C4 | C6 | H5 | 96.9° | 177.6° |
| C3 | C4 | C6 | H6 | 143.4° | 62.3° |
| C4 | C3 | H11 | H12 | 118.4° | 120.0° |
| C4 | C3 | N | H13 | 62.6° | 174.1° |
| O | C | C1 | C2 | 109.7° | 65.2° |
| O | C | C1 | H8 | 120.4° | 120.0° |
| O | C | C1 | H9 | 120.4° | 120.0° |
| O | C | C1 | C6 | 128.2° | 175.0° |
| O | C | H8 | H9 | 118.9° | 120.1° |
| O | C | C1 | H10 | 8.9° | 54.9° |
| N | C2 | C1 | H15 | 120.9° | 120.0° |
| N | C2 | C1 | H16 | 120.9° | 120.1° |
| N | C2 | C1 | C | 162.1° | 179.1° |
| N | C2 | C1 | C6 | 38.8° | 59.2° |
| N | C2 | C1 | H10 | 79.2° | 60.8° |
| C2 | N | C3 | H11 | 62.7° | 58.3° |
| C2 | N | C3 | H12 | 178.3° | 178.3° |
| N | C2 | H15 | H16 | 117.2° | 120.0° |
| C2 | C1 | C | C6 | 122.1° | 119.8° |
| C2 | C1 | C | H10 | 118.6° | 120.1° |
| C2 | C1 | C6 | H10 | 118.0° | 120.0° |
| C2 | C1 | C6 | C4 | 59.8° | 57.7° |
| C2 | C1 | C6 | H5 | 60.3° | 177.5° |
| C2 | C1 | C6 | H6 | 180.0° | 62.3° |
| C2 | C1 | C | H8 | 10.7° | 54.8° |
| C2 | C1 | C | H9 | 129.9° | 174.8° |
| C1 | C2 | N | H13 | 101.3° | 174.1° |
| C1 | C2 | H15 | H16 | 117.2° | 119.9° |
| C | C1 | C6 | H10 | 119.4° | 120.1° |
| C | C1 | C6 | C4 | 177.5° | 177.6° |
| C | C1 | C6 | H5 | 62.4° | 62.5° |
| C | C1 | C6 | H6 | 57.3° | 57.6° |
| C1 | C | O | H7 | 180.0° | 180.0° |
| C1 | C | H8 | H9 | 118.8° | 120.0° |
| C | C1 | C2 | H15 | 41.2° | 60.9° |
| C | C1 | C2 | H16 | 77.0° | 59.0° |
| C1 | C6 | C4 | C5 | 101.8° | 62.3° |
| C1 | C6 | C4 | H5 | 120.2° | 119.9° |
| C1 | C6 | C4 | H6 | 120.2° | 120.0° |
| C1 | C6 | C4 | H1 | 141.3° | 177.6° |
| C1 | C6 | H5 | H6 | 119.5° | 120.2° |
| C6 | C1 | C | H8 | 111.5° | 65.0° |
| C6 | C1 | C | H9 | 7.8° | 55.0° |
| C6 | C1 | C2 | H15 | 82.1° | 179.2° |
| C6 | C1 | C2 | H16 | 159.7° | 60.9° |
| C5 | C4 | C6 | H1 | 116.9° | 120.1° |
| C4 | C5 | H2 | H3 | 120.0° | 120.1° |
| C4 | C5 | H2 | H4 | 120.0° | 119.9° |
| C4 | C5 | H3 | H4 | 120.0° | 120.0° |
| C5 | C4 | C6 | H5 | 138.1° | 57.6° |
| C5 | C4 | C6 | H6 | 18.4° | 177.7° |
| C5 | C4 | C3 | H11 | 39.8° | 179.2° |
| C5 | C4 | C3 | H12 | 79.1° | 59.2° |
| C6 | C4 | C5 | H2 | 53.3° | 59.9° |
| C6 | C4 | C5 | H3 | 66.7° | 180.0° |
| C6 | C4 | C5 | H4 | 173.3° | 60.0° |
| C4 | C6 | H5 | H6 | 119.6° | 120.1° |
| C4 | C6 | C1 | H10 | 58.1° | 62.3° |
| C6 | C4 | C3 | H11 | 85.6° | 60.8° |
| C6 | C4 | C3 | H12 | 155.5° | 179.2° |
| H1 | C4 | C5 | H2 | 63.5° | 180.0° |
| H1 | C4 | C5 | H3 | 176.5° | 59.9° |
| H1 | C4 | C5 | H4 | 56.5° | 60.1° |
| H1 | C4 | C6 | H5 | 21.2° | 62.5° |
| H1 | C4 | C6 | H6 | 98.5° | 57.6° |
| H1 | C4 | C3 | H11 | 156.4° | 59.1° |
| H1 | C4 | C3 | H12 | 37.4° | 60.9° |
| H2 | C5 | H3 | H4 | 120.0° | 119.9° |
| H5 | C6 | C1 | H10 | 178.3° | 57.6° |
| H6 | C6 | C1 | H10 | 62.0° | 177.7° |
| H7 | O | C | H8 | 59.6° | 60.0° |
| H7 | O | C | H9 | 59.6° | 60.1° |
| H8 | C | C1 | H10 | 129.3° | 174.9° |
| H9 | C | C1 | H10 | 111.5° | 65.1° |
| H10 | C1 | C2 | H15 | 159.9° | 59.3° |
| H10 | C1 | C2 | H16 | 41.7° | 179.2° |
| H11 | C3 | N | H13 | 176.8° | 65.8° |
| H12 | C3 | N | H13 | 57.9° | 54.1° |
| H13 | N | C2 | H15 | 19.6° | 54.1° |
| H13 | N | C2 | H16 | 137.8° | 65.8° |
