UWI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C5 | sing | 1.35Å | 1.37Å | |
| C5 | O1 | doub | 1.21Å | 1.22Å | |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C | C4 | sing | 1.53Å | 1.52Å | |
| C | C1 | sing | 1.53Å | 1.54Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | O | sing | 1.43Å | 1.40Å | |
| C2 | O | sing | 1.43Å | 1.41Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| N | H8 | sing | 0.97Å | 1.00Å | |
| N | H9 | sing | 0.97Å | 1.00Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C5 | O1 | 119.9° | 120.0° |
| N | C5 | C4 | 119.8° | 120.0° |
| C5 | N | H8 | 120.0° | 120.0° |
| C5 | N | H9 | 120.0° | 120.0° |
| O1 | C5 | C4 | 120.3° | 120.0° |
| C5 | C4 | C | 110.7° | 109.5° |
| C5 | C4 | C3 | 112.5° | 109.5° |
| C5 | C4 | H3 | 108.6° | 109.5° |
| C4 | C | C1 | 108.6° | 109.2° |
| C | C4 | C3 | 108.2° | 109.0° |
| C | C4 | H3 | 108.5° | 109.6° |
| C4 | C | H10 | 109.7° | 109.5° |
| C4 | C | H11 | 109.7° | 109.5° |
| C | C1 | O | 112.2° | 109.4° |
| C | C1 | H1 | 108.8° | 109.5° |
| C | C1 | H2 | 108.8° | 109.5° |
| C1 | C | H10 | 109.7° | 109.5° |
| C1 | C | H11 | 109.7° | 109.6° |
| C4 | C3 | C2 | 108.3° | 109.1° |
| C3 | C4 | H3 | 108.3° | 109.6° |
| C4 | C3 | H4 | 109.7° | 109.5° |
| C4 | C3 | H5 | 109.8° | 109.5° |
| C3 | C2 | O | 113.1° | 109.4° |
| C2 | C3 | H4 | 109.8° | 109.5° |
| C2 | C3 | H5 | 109.7° | 109.6° |
| C3 | C2 | H6 | 108.6° | 109.5° |
| C3 | C2 | H7 | 108.6° | 109.4° |
| C1 | O | C2 | 113.1° | 114.1° |
| O | C1 | H1 | 108.8° | 109.5° |
| O | C1 | H2 | 108.8° | 109.4° |
| O | C2 | H6 | 108.6° | 109.5° |
| O | C2 | H7 | 108.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.6° |
| H6 | C2 | H7 | 109.5° | 109.5° |
| H8 | N | H9 | 120.0° | 120.0° |
| H10 | C | H11 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C5 | O1 | C4 | 179.7° | 180.0° |
| N | C5 | C4 | C | 89.4° | 60.4° |
| N | C5 | C4 | C3 | 31.7° | 180.0° |
| N | C5 | C4 | H3 | 151.6° | 59.8° |
| C5 | N | H8 | H9 | 180.0° | 179.9° |
| O1 | C5 | C4 | C | 90.3° | 119.6° |
| O1 | C5 | C4 | C3 | 148.6° | 0.0° |
| O1 | C5 | C4 | H3 | 28.7° | 120.1° |
| O1 | C5 | N | H8 | 0.0° | 0.0° |
| O1 | C5 | N | H9 | 180.0° | 179.9° |
| C5 | C4 | C | C3 | 123.7° | 119.8° |
| C5 | C4 | C | H3 | 119.0° | 120.2° |
| C5 | C4 | C | C1 | 169.7° | 176.8° |
| C5 | C4 | C3 | H3 | 120.0° | 120.2° |
| C5 | C4 | C3 | C2 | 165.0° | 176.9° |
| C5 | C4 | C3 | H4 | 75.1° | 63.3° |
| C5 | C4 | C3 | H5 | 45.2° | 56.9° |
| C4 | C5 | N | H8 | 179.7° | 180.0° |
| C4 | C5 | N | H9 | 0.3° | 0.0° |
| C5 | C4 | C | H10 | 70.4° | 63.2° |
| C5 | C4 | C | H11 | 49.9° | 56.9° |
| C4 | C | C1 | H10 | 119.8° | 119.9° |
| C4 | C | C1 | H11 | 119.8° | 119.9° |
| C | C4 | C3 | H3 | 117.4° | 120.0° |
| C | C4 | C3 | C2 | 42.4° | 57.0° |
| C4 | C | C1 | O | 25.1° | 57.6° |
| C4 | C | C1 | H1 | 145.5° | 177.6° |
| C4 | C | C1 | H2 | 95.3° | 62.4° |
| C | C4 | C3 | H4 | 162.3° | 176.9° |
| C | C4 | C3 | H5 | 77.4° | 62.9° |
| C4 | C | H10 | H11 | 120.4° | 120.1° |
| C1 | C | C4 | C3 | 66.6° | 57.0° |
| C | C1 | O | H1 | 120.4° | 120.0° |
| C | C1 | O | H2 | 120.4° | 120.0° |
| C | C1 | O | C2 | 39.4° | 61.1° |
| C | C1 | H1 | H2 | 118.8° | 120.1° |
| C1 | C | C4 | H3 | 50.7° | 62.9° |
| C1 | C | H10 | H11 | 120.4° | 120.2° |
| C4 | C3 | C2 | H4 | 119.8° | 119.9° |
| C4 | C3 | C2 | H5 | 119.8° | 119.9° |
| C4 | C3 | C2 | O | 19.9° | 57.6° |
| C4 | C3 | H4 | H5 | 120.5° | 120.1° |
| C4 | C3 | C2 | H6 | 140.4° | 62.4° |
| C4 | C3 | C2 | H7 | 100.7° | 177.6° |
| C3 | C4 | C | H10 | 53.2° | 176.9° |
| C3 | C4 | C | H11 | 173.5° | 62.9° |
| C3 | C2 | O | C1 | 65.4° | 61.2° |
| C3 | C2 | O | H6 | 120.6° | 120.0° |
| C3 | C2 | O | H7 | 120.5° | 119.9° |
| C2 | C3 | C4 | H3 | 75.0° | 63.0° |
| C2 | C3 | H4 | H5 | 120.5° | 120.2° |
| C3 | C2 | H6 | H7 | 118.3° | 120.0° |
| O | C1 | H1 | H2 | 118.8° | 120.0° |
| C1 | O | C2 | H6 | 174.1° | 58.8° |
| C1 | O | C2 | H7 | 55.2° | 178.9° |
| O | C1 | C | H10 | 94.7° | 177.5° |
| O | C1 | C | H11 | 144.9° | 62.3° |
| C2 | O | C1 | H1 | 81.0° | 178.9° |
| C2 | O | C1 | H2 | 159.8° | 58.9° |
| O | C2 | C3 | H4 | 99.9° | 177.5° |
| O | C2 | C3 | H5 | 139.7° | 62.3° |
| O | C2 | H6 | H7 | 118.3° | 120.1° |
| H1 | C1 | C | H10 | 25.7° | 62.6° |
| H1 | C1 | C | H11 | 94.7° | 57.6° |
| H2 | C1 | C | H10 | 144.9° | 57.5° |
| H2 | C1 | C | H11 | 24.6° | 177.7° |
| H3 | C4 | C3 | H4 | 44.9° | 56.9° |
| H3 | C4 | C3 | H5 | 165.2° | 177.1° |
| H3 | C4 | C | H10 | 170.5° | 57.0° |
| H3 | C4 | C | H11 | 69.2° | 177.1° |
| H4 | C3 | C2 | H6 | 20.6° | 57.5° |
| H4 | C3 | C2 | H7 | 139.5° | 62.6° |
| H5 | C3 | C2 | H6 | 99.7° | 177.7° |
| H5 | C3 | C2 | H7 | 19.2° | 57.7° |
