OYU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C6 | sing | 1.43Å | 1.42Å | |
| O1 | C4 | doub | 1.22Å | 1.23Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | N | sing | 1.47Å | 1.45Å | |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C4 | N | sing | 1.35Å | 1.32Å | |
| C4 | O | sing | 1.35Å | 1.45Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | O | sing | 1.45Å | 1.43Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| N | H8 | sing | 0.97Å | 1.00Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| O2 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C6 | C5 | 109.3° | 109.4° |
| O2 | C6 | H1 | 109.5° | 109.5° |
| O2 | C6 | H2 | 109.5° | 109.5° |
| C6 | O2 | H15 | 109.5° | 114.0° |
| O1 | C4 | N | 125.5° | 120.0° |
| O1 | C4 | O | 120.7° | 120.0° |
| C6 | C5 | N | 110.7° | 109.5° |
| C5 | C6 | H1 | 109.5° | 109.5° |
| C5 | C6 | H2 | 109.5° | 109.5° |
| C6 | C5 | H6 | 109.1° | 109.5° |
| C6 | C5 | H7 | 109.2° | 109.5° |
| C5 | N | C4 | 124.2° | 120.0° |
| N | C5 | H6 | 109.2° | 109.4° |
| N | C5 | H7 | 109.2° | 109.5° |
| C5 | N | H8 | 117.9° | 120.0° |
| C | C1 | C2 | 107.5° | 109.4° |
| C | C1 | O | 111.5° | 109.5° |
| C | C1 | C3 | 114.6° | 109.5° |
| C1 | C | H9 | 109.5° | 109.4° |
| C1 | C | H10 | 109.5° | 109.4° |
| C1 | C | H11 | 109.4° | 109.5° |
| N | C4 | O | 113.8° | 120.0° |
| C4 | N | H8 | 117.8° | 120.0° |
| C4 | O | C1 | 125.9° | 117.0° |
| C2 | C1 | O | 110.0° | 109.4° |
| C2 | C1 | C3 | 109.8° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 109.5° | 109.5° |
| C1 | C2 | H5 | 109.5° | 109.5° |
| O | C1 | C3 | 103.4° | 109.5° |
| C1 | C3 | H12 | 109.5° | 109.5° |
| C1 | C3 | H13 | 109.5° | 109.5° |
| C1 | C3 | H14 | 109.5° | 109.5° |
| H1 | C6 | H2 | 109.5° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.4° |
| H3 | C2 | H5 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H6 | C5 | H7 | 109.4° | 109.4° |
| H9 | C | H10 | 109.5° | 109.5° |
| H9 | C | H11 | 109.5° | 109.5° |
| H10 | C | H11 | 109.5° | 109.5° |
| H12 | C3 | H13 | 109.5° | 109.5° |
| H12 | C3 | H14 | 109.4° | 109.4° |
| H13 | C3 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C6 | C5 | H1 | 120.0° | 120.0° |
| O2 | C6 | C5 | H2 | 120.0° | 120.0° |
| O2 | C6 | C5 | N | 176.1° | 65.0° |
| O2 | C6 | H1 | H2 | 120.1° | 120.0° |
| O2 | C6 | C5 | H6 | 55.9° | 175.0° |
| O2 | C6 | C5 | H7 | 63.7° | 55.0° |
| O1 | C4 | N | C5 | 10.7° | 0.1° |
| O1 | C4 | N | O | 180.0° | 179.9° |
| O1 | C4 | O | C1 | 15.0° | 0.0° |
| O1 | C4 | N | H8 | 169.3° | 180.0° |
| C6 | C5 | N | H6 | 120.2° | 120.0° |
| C6 | C5 | N | H7 | 120.2° | 120.0° |
| C6 | C5 | N | C4 | 112.1° | 180.0° |
| C5 | C6 | H1 | H2 | 120.1° | 120.0° |
| C6 | C5 | H6 | H7 | 119.4° | 120.0° |
| C6 | C5 | N | H8 | 67.9° | 0.1° |
| C5 | C6 | O2 | H15 | 180.0° | 180.0° |
| C5 | N | C4 | H8 | 180.0° | 179.9° |
| C5 | N | C4 | O | 169.2° | 180.0° |
| N | C5 | C6 | H1 | 63.9° | 175.0° |
| N | C5 | C6 | H2 | 56.2° | 55.0° |
| N | C5 | H6 | H7 | 119.5° | 120.0° |
| C | C1 | O | C4 | 55.9° | 180.0° |
| C | C1 | C2 | O | 121.6° | 120.0° |
| C | C1 | C2 | C3 | 125.2° | 120.0° |
| C | C1 | O | C3 | 123.6° | 120.0° |
| C | C1 | C2 | H3 | 180.0° | 60.0° |
| C | C1 | C2 | H4 | 60.0° | 180.0° |
| C | C1 | C2 | H5 | 60.0° | 60.0° |
| C1 | C | H9 | H10 | 120.0° | 119.9° |
| C1 | C | H9 | H11 | 120.0° | 120.0° |
| C1 | C | H10 | H11 | 120.0° | 120.0° |
| C | C1 | C3 | H12 | 180.0° | 60.0° |
| C | C1 | C3 | H13 | 60.0° | 60.0° |
| C | C1 | C3 | H14 | 60.0° | 180.0° |
| N | C4 | O | C1 | 164.9° | 179.9° |
| C4 | N | C5 | H6 | 127.7° | 60.0° |
| C4 | N | C5 | H7 | 8.1° | 59.9° |
| C4 | O | C1 | C2 | 63.2° | 60.0° |
| C4 | O | C1 | C3 | 179.5° | 60.0° |
| O | C4 | N | H8 | 10.8° | 0.1° |
| C2 | C1 | O | C3 | 117.2° | 120.0° |
| C1 | C2 | H3 | H4 | 120.0° | 120.0° |
| C1 | C2 | H3 | H5 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 120.0° | 120.0° |
| C2 | C1 | C | H9 | 180.0° | 60.0° |
| C2 | C1 | C | H10 | 60.0° | 180.0° |
| C2 | C1 | C | H11 | 60.0° | 60.0° |
| C2 | C1 | C3 | H12 | 59.0° | 60.0° |
| C2 | C1 | C3 | H13 | 61.1° | 180.0° |
| C2 | C1 | C3 | H14 | 178.9° | 60.0° |
| O | C1 | C2 | H3 | 58.4° | 180.0° |
| O | C1 | C2 | H4 | 61.6° | 60.0° |
| O | C1 | C2 | H5 | 178.4° | 60.0° |
| O | C1 | C | H9 | 59.4° | 60.0° |
| O | C1 | C | H10 | 179.4° | 60.0° |
| O | C1 | C | H11 | 60.6° | 180.0° |
| O | C1 | C3 | H12 | 58.4° | 180.0° |
| O | C1 | C3 | H13 | 178.4° | 60.0° |
| O | C1 | C3 | H14 | 61.6° | 60.0° |
| C3 | C1 | C2 | H3 | 54.7° | 60.0° |
| C3 | C1 | C2 | H4 | 174.7° | 60.0° |
| C3 | C1 | C2 | H5 | 65.3° | 180.0° |
| C3 | C1 | C | H9 | 57.7° | 180.0° |
| C3 | C1 | C | H10 | 62.3° | 60.0° |
| C3 | C1 | C | H11 | 177.7° | 60.0° |
| C1 | C3 | H12 | H13 | 120.0° | 120.0° |
| C1 | C3 | H12 | H14 | 120.0° | 120.0° |
| C1 | C3 | H13 | H14 | 120.0° | 120.1° |
| H1 | C6 | C5 | H6 | 175.9° | 55.0° |
| H1 | C6 | C5 | H7 | 56.3° | 65.0° |
| H1 | C6 | O2 | H15 | 60.0° | 60.0° |
| H2 | C6 | C5 | H6 | 64.1° | 65.0° |
| H2 | C6 | C5 | H7 | 176.4° | 175.0° |
| H2 | C6 | O2 | H15 | 60.1° | 60.0° |
| H3 | C2 | H4 | H5 | 120.0° | 120.0° |
| H6 | C5 | N | H8 | 52.3° | 120.1° |
| H7 | C5 | N | H8 | 171.9° | 120.0° |
| H9 | C | H10 | H11 | 120.0° | 120.0° |
| H12 | C3 | H13 | H14 | 119.9° | 119.9° |
