25W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C3 | sing | 1.43Å | 1.38Å | |
| O | C2 | sing | 1.43Å | 1.38Å | |
| C2 | C3 | sing | 1.53Å | 1.49Å | |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| C3 | C4 | sing | 1.53Å | 1.49Å | |
| C4 | O2 | sing | 1.43Å | 1.39Å | |
| C4 | C5 | sing | 1.53Å | 1.49Å | |
| C1 | C | sing | 1.53Å | 1.50Å | |
| C | C5 | sing | 1.53Å | 1.50Å | |
| C | N | sing | 1.47Å | 1.44Å | |
| O3 | C5 | sing | 1.43Å | 1.39Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| N | H6 | sing | 1.01Å | 1.00Å | |
| N | H7 | sing | 1.01Å | 1.00Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| O | H12 | sing | 0.97Å | 0.95Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C3 | C2 | 108.9° | 109.4° |
| O1 | C3 | C4 | 108.4° | 109.5° |
| C3 | O1 | H1 | 109.5° | 114.0° |
| O1 | C3 | H10 | 111.0° | 109.5° |
| O | C2 | C3 | 110.1° | 109.5° |
| O | C2 | C1 | 108.6° | 109.4° |
| O | C2 | H11 | 110.5° | 109.5° |
| C2 | O | H12 | 109.5° | 114.0° |
| C3 | C2 | C1 | 109.8° | 109.5° |
| C2 | C3 | C4 | 109.7° | 109.5° |
| C2 | C3 | H10 | 109.4° | 109.5° |
| C3 | C2 | H11 | 109.0° | 109.5° |
| C2 | C1 | C | 109.0° | 109.4° |
| C1 | C2 | H11 | 108.9° | 109.5° |
| C2 | C1 | H13 | 109.6° | 109.5° |
| C2 | C1 | H14 | 109.6° | 109.5° |
| C3 | C4 | O2 | 109.0° | 109.5° |
| C3 | C4 | C5 | 111.2° | 109.5° |
| C3 | C4 | H9 | 109.2° | 109.5° |
| C4 | C3 | H10 | 109.4° | 109.5° |
| O2 | C4 | C5 | 107.5° | 109.5° |
| C4 | O2 | H2 | 109.5° | 114.0° |
| O2 | C4 | H9 | 110.8° | 109.4° |
| C4 | C5 | C | 111.5° | 109.4° |
| C4 | C5 | O3 | 109.0° | 109.5° |
| C4 | C5 | H4 | 108.3° | 109.5° |
| C5 | C4 | H9 | 109.2° | 109.5° |
| C1 | C | C5 | 111.4° | 109.5° |
| C1 | C | N | 109.5° | 109.4° |
| C1 | C | H5 | 108.5° | 109.5° |
| C | C1 | H13 | 109.6° | 109.5° |
| C | C1 | H14 | 109.6° | 109.5° |
| C5 | C | N | 109.6° | 109.4° |
| C | C5 | O3 | 110.2° | 109.4° |
| C | C5 | H4 | 108.2° | 109.5° |
| C5 | C | H5 | 108.5° | 109.5° |
| N | C | H5 | 109.3° | 109.5° |
| C | N | H6 | 109.5° | 111.0° |
| C | N | H7 | 109.5° | 111.0° |
| C5 | O3 | H3 | 109.5° | 114.0° |
| O3 | C5 | H4 | 109.7° | 109.5° |
| H6 | N | H7 | 109.5° | 110.9° |
| H13 | C1 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C3 | C2 | O | 60.7° | 60.0° |
| O1 | C3 | C2 | C4 | 118.5° | 120.0° |
| O1 | C3 | C2 | H10 | 121.5° | 120.0° |
| O1 | C3 | C2 | C1 | 179.9° | 180.0° |
| O1 | C3 | C4 | H10 | 121.2° | 120.0° |
| O1 | C3 | C4 | O2 | 65.4° | 60.0° |
| O1 | C3 | C4 | C5 | 176.2° | 180.0° |
| O1 | C3 | C4 | H9 | 55.7° | 59.9° |
| O1 | C3 | C2 | H11 | 60.7° | 60.0° |
| O | C2 | C3 | C1 | 119.4° | 120.0° |
| O | C2 | C3 | H11 | 121.3° | 120.0° |
| O | C2 | C1 | H11 | 120.4° | 120.0° |
| O | C2 | C3 | C4 | 179.1° | 180.0° |
| O | C2 | C1 | C | 178.6° | 180.0° |
| O | C2 | C3 | H10 | 60.9° | 60.0° |
| O | C2 | C1 | H13 | 61.4° | 60.0° |
| O | C2 | C1 | H14 | 58.7° | 60.0° |
| C3 | C2 | C1 | H11 | 119.3° | 120.0° |
| C2 | C3 | C4 | H10 | 120.0° | 120.0° |
| C2 | C3 | C4 | O2 | 175.8° | 180.0° |
| C2 | C3 | C4 | C5 | 57.5° | 60.0° |
| C3 | C2 | C1 | C | 61.0° | 60.0° |
| C2 | C3 | O1 | H1 | 180.0° | 60.0° |
| C2 | C3 | C4 | H9 | 63.1° | 60.0° |
| C3 | C2 | O | H12 | 180.0° | 180.0° |
| C3 | C2 | C1 | H13 | 58.9° | 180.0° |
| C3 | C2 | C1 | H14 | 179.1° | 60.0° |
| C1 | C2 | C3 | C4 | 61.4° | 60.0° |
| C2 | C1 | C | H13 | 120.0° | 120.0° |
| C2 | C1 | C | H14 | 119.9° | 120.0° |
| C2 | C1 | C | C5 | 57.1° | 60.0° |
| C2 | C1 | C | N | 178.5° | 180.0° |
| C2 | C1 | C | H5 | 62.3° | 60.0° |
| C1 | C2 | C3 | H10 | 58.6° | 60.0° |
| C1 | C2 | O | H12 | 59.8° | 60.0° |
| C2 | C1 | H13 | H14 | 120.2° | 120.0° |
| C3 | C4 | O2 | C5 | 120.6° | 120.0° |
| C3 | C4 | O2 | H9 | 120.2° | 120.0° |
| C3 | C4 | C5 | H9 | 120.5° | 120.1° |
| C3 | C4 | C5 | C | 53.7° | 60.0° |
| C3 | C4 | C5 | O3 | 175.6° | 180.0° |
| C4 | C3 | O1 | H1 | 60.7° | 180.0° |
| C3 | C4 | O2 | H2 | 180.0° | 60.0° |
| C3 | C4 | C5 | H4 | 65.2° | 60.0° |
| C4 | C3 | C2 | H11 | 57.8° | 60.0° |
| O2 | C4 | C5 | H9 | 120.2° | 119.9° |
| O2 | C4 | C5 | C | 172.9° | 180.0° |
| O2 | C4 | C5 | O3 | 65.2° | 60.0° |
| O2 | C4 | C5 | H4 | 54.1° | 60.0° |
| O2 | C4 | C3 | H10 | 55.8° | 60.0° |
| C4 | C5 | C | C1 | 53.8° | 60.0° |
| C4 | C5 | C | O3 | 121.2° | 120.0° |
| C4 | C5 | C | H4 | 118.9° | 120.0° |
| C4 | C5 | C | N | 175.2° | 180.0° |
| C4 | C5 | O3 | H4 | 118.4° | 120.0° |
| C5 | C4 | O2 | H2 | 59.3° | 180.0° |
| C4 | C5 | O3 | H3 | 180.0° | 60.0° |
| C4 | C5 | C | H5 | 65.5° | 60.0° |
| C5 | C4 | C3 | H10 | 62.6° | 60.0° |
| C1 | C | C5 | N | 121.4° | 120.0° |
| C1 | C | C5 | H5 | 119.3° | 120.0° |
| C1 | C | N | H5 | 118.7° | 120.0° |
| C1 | C | C5 | O3 | 175.0° | 180.0° |
| C1 | C | C5 | H4 | 65.1° | 60.0° |
| C1 | C | N | H6 | 180.0° | 60.0° |
| C1 | C | N | H7 | 60.0° | 176.1° |
| C | C1 | C2 | H11 | 58.3° | 60.0° |
| C | C1 | H13 | H14 | 120.2° | 120.0° |
| C5 | C | N | H5 | 118.8° | 120.0° |
| C | C5 | O3 | H4 | 119.0° | 120.0° |
| C | C5 | O3 | H3 | 57.4° | 179.9° |
| C5 | C | N | H6 | 57.5° | 180.0° |
| C5 | C | N | H7 | 62.5° | 56.1° |
| C | C5 | C4 | H9 | 66.9° | 60.0° |
| C5 | C | C1 | H13 | 62.9° | 180.0° |
| C5 | C | C1 | H14 | 177.0° | 60.0° |
| N | C | C5 | O3 | 63.6° | 60.0° |
| N | C | C5 | H4 | 56.2° | 60.0° |
| C | N | H6 | H7 | 120.0° | 123.9° |
| N | C | C1 | H13 | 58.5° | 60.0° |
| N | C | C1 | H14 | 61.6° | 60.0° |
| O3 | C5 | C | H5 | 55.7° | 60.0° |
| O3 | C5 | C4 | H9 | 55.0° | 59.9° |
| H1 | O1 | C3 | H10 | 59.5° | 60.0° |
| H2 | O2 | C4 | H9 | 59.9° | 60.0° |
| H3 | O3 | C5 | H4 | 61.6° | 60.0° |
| H4 | C5 | C | H5 | 175.5° | 180.0° |
| H4 | C5 | C4 | H9 | 174.3° | 180.0° |
| H5 | C | N | H6 | 61.3° | 60.0° |
| H5 | C | N | H7 | 178.7° | 63.9° |
| H5 | C | C1 | H13 | 177.8° | 60.0° |
| H5 | C | C1 | H14 | 57.7° | 180.0° |
| H9 | C4 | C3 | H10 | 176.9° | 180.0° |
| H10 | C3 | C2 | H11 | 177.8° | 180.0° |
| H11 | C2 | O | H12 | 59.6° | 60.0° |
| H11 | C2 | C1 | H13 | 178.2° | 60.0° |
| H11 | C2 | C1 | H14 | 61.7° | 180.0° |
