W3V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.22Å | 1.24Å | |
| C5 | N1 | sing | 1.47Å | 1.47Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C | N | sing | 1.35Å | 1.34Å | |
| C | N1 | sing | 1.35Å | 1.39Å | |
| N1 | C1 | sing | 1.47Å | 1.47Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C3 | C6 | sing | 1.51Å | 1.50Å | |
| O1 | C6 | doub | 1.21Å | 1.32Å | |
| C6 | O2 | sing | 1.34Å | 1.21Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| O2 | H5 | sing | 0.97Å | 0.95Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| N | H11 | sing | 0.97Å | 1.00Å | |
| N | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | N | 122.3° | 120.0° |
| O | C | N1 | 117.4° | 120.1° |
| N1 | C5 | C4 | 110.4° | 108.8° |
| C5 | N1 | C | 122.3° | 120.7° |
| C5 | N1 | C1 | 115.3° | 118.7° |
| N1 | C5 | H3 | 109.2° | 109.6° |
| N1 | C5 | H4 | 109.2° | 109.5° |
| C5 | C4 | C3 | 109.5° | 109.3° |
| C5 | C4 | H1 | 109.5° | 109.5° |
| C5 | C4 | H2 | 109.5° | 109.5° |
| C4 | C5 | H3 | 109.2° | 109.6° |
| C4 | C5 | H4 | 109.2° | 109.6° |
| N | C | N1 | 120.3° | 120.0° |
| C | N | H11 | 120.0° | 120.0° |
| C | N | H12 | 120.0° | 119.9° |
| C | N1 | C1 | 122.3° | 120.6° |
| N1 | C1 | C2 | 111.3° | 108.8° |
| N1 | C1 | H9 | 109.0° | 109.6° |
| N1 | C1 | H10 | 109.0° | 109.6° |
| C1 | C2 | C3 | 109.6° | 109.3° |
| C1 | C2 | H7 | 109.4° | 109.5° |
| C1 | C2 | H8 | 109.4° | 109.5° |
| C2 | C1 | H9 | 109.0° | 109.6° |
| C2 | C1 | H10 | 109.0° | 109.6° |
| C4 | C3 | C2 | 109.8° | 109.5° |
| C4 | C3 | C6 | 110.1° | 109.5° |
| C3 | C4 | H1 | 109.5° | 109.5° |
| C3 | C4 | H2 | 109.5° | 109.6° |
| C4 | C3 | H6 | 108.5° | 109.5° |
| C2 | C3 | C6 | 110.8° | 109.4° |
| C2 | C3 | H6 | 108.5° | 109.4° |
| C3 | C2 | H7 | 109.4° | 109.5° |
| C3 | C2 | H8 | 109.5° | 109.5° |
| C3 | C6 | O1 | 114.1° | 120.0° |
| C3 | C6 | O2 | 121.3° | 120.0° |
| C6 | C3 | H6 | 109.0° | 109.5° |
| O1 | C6 | O2 | 124.6° | 120.0° |
| C6 | O2 | H5 | 109.5° | 117.0° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.7° |
| H7 | C2 | H8 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.7° |
| H11 | N | H12 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | N1 | C5 | 171.4° | 175.2° |
| O | C | N | N1 | 178.8° | 180.0° |
| O | C | N1 | C1 | 4.7° | 5.0° |
| O | C | N | H11 | 0.0° | 174.9° |
| O | C | N | H12 | 180.0° | 5.0° |
| N1 | C5 | C4 | H3 | 120.1° | 119.8° |
| N1 | C5 | C4 | H4 | 120.2° | 119.7° |
| C5 | N1 | C | N | 7.5° | 4.8° |
| C5 | N1 | C | C1 | 176.0° | 179.8° |
| C5 | N1 | C1 | C2 | 53.5° | 53.6° |
| N1 | C5 | C4 | C3 | 57.0° | 54.7° |
| N1 | C5 | C4 | H1 | 177.0° | 174.6° |
| N1 | C5 | C4 | H2 | 63.0° | 65.3° |
| N1 | C5 | H3 | H4 | 119.6° | 120.3° |
| C5 | N1 | C1 | H9 | 173.7° | 173.4° |
| C5 | N1 | C1 | H10 | 66.8° | 66.2° |
| C4 | C5 | N1 | C | 128.5° | 126.1° |
| C4 | C5 | N1 | C1 | 55.2° | 53.6° |
| C5 | C4 | C3 | H1 | 120.0° | 119.9° |
| C5 | C4 | C3 | H2 | 120.0° | 120.0° |
| C5 | C4 | C3 | C2 | 59.5° | 61.4° |
| C5 | C4 | C3 | C6 | 178.2° | 178.6° |
| C5 | C4 | H1 | H2 | 120.0° | 120.0° |
| C4 | C5 | H3 | H4 | 119.5° | 120.4° |
| C5 | C4 | C3 | H6 | 59.0° | 58.6° |
| N | C | N1 | C1 | 176.5° | 175.0° |
| C | N | H11 | H12 | 180.0° | 179.9° |
| C | N1 | C1 | C2 | 130.2° | 126.2° |
| C | N1 | C5 | H3 | 111.4° | 114.0° |
| C | N1 | C5 | H4 | 8.3° | 6.3° |
| C | N1 | C1 | H9 | 9.9° | 6.4° |
| C | N1 | C1 | H10 | 109.5° | 114.1° |
| N1 | C | N | H11 | 178.8° | 5.1° |
| N1 | C | N | H12 | 1.2° | 174.9° |
| N1 | C1 | C2 | H9 | 120.3° | 119.8° |
| N1 | C1 | C2 | H10 | 120.2° | 119.8° |
| N1 | C1 | C2 | C3 | 53.2° | 54.6° |
| C1 | N1 | C5 | H3 | 64.9° | 66.2° |
| C1 | N1 | C5 | H4 | 175.4° | 173.4° |
| N1 | C1 | C2 | H7 | 66.8° | 174.6° |
| N1 | C1 | C2 | H8 | 173.3° | 65.3° |
| N1 | C1 | H9 | H10 | 119.1° | 120.4° |
| C1 | C2 | C3 | C4 | 57.4° | 61.3° |
| C1 | C2 | C3 | H7 | 120.0° | 120.0° |
| C1 | C2 | C3 | H8 | 120.0° | 119.9° |
| C1 | C2 | C3 | C6 | 179.2° | 178.6° |
| C1 | C2 | C3 | H6 | 61.2° | 58.7° |
| C1 | C2 | H7 | H8 | 119.9° | 120.0° |
| C2 | C1 | H9 | H10 | 119.2° | 120.3° |
| C4 | C3 | C2 | C6 | 121.9° | 120.0° |
| C4 | C3 | C2 | H6 | 118.5° | 120.0° |
| C4 | C3 | C6 | H6 | 119.0° | 120.0° |
| C4 | C3 | C6 | O1 | 159.4° | 0.0° |
| C4 | C3 | C6 | O2 | 22.2° | 180.0° |
| C3 | C4 | H1 | H2 | 120.0° | 120.2° |
| C3 | C4 | C5 | H3 | 63.2° | 65.1° |
| C3 | C4 | C5 | H4 | 177.1° | 174.4° |
| C4 | C3 | C2 | H7 | 62.6° | 178.7° |
| C4 | C3 | C2 | H8 | 177.4° | 58.6° |
| C2 | C3 | C6 | H6 | 119.3° | 119.9° |
| C2 | C3 | C6 | O1 | 78.9° | 120.1° |
| C2 | C3 | C6 | O2 | 99.5° | 59.9° |
| C2 | C3 | C4 | H1 | 179.5° | 178.7° |
| C2 | C3 | C4 | H2 | 60.5° | 58.6° |
| C3 | C2 | H7 | H8 | 120.0° | 120.1° |
| C3 | C2 | C1 | H9 | 173.5° | 174.4° |
| C3 | C2 | C1 | H10 | 67.0° | 65.2° |
| C3 | C6 | O1 | O2 | 178.3° | 180.0° |
| C6 | C3 | C4 | H1 | 58.2° | 58.7° |
| C6 | C3 | C4 | H2 | 61.8° | 61.4° |
| C3 | C6 | O2 | H5 | 178.2° | 180.0° |
| C6 | C3 | C2 | H7 | 59.2° | 58.6° |
| C6 | C3 | C2 | H8 | 60.7° | 61.4° |
| O1 | C6 | O2 | H5 | 0.0° | 0.0° |
| O1 | C6 | C3 | H6 | 40.4° | 120.0° |
| O2 | C6 | C3 | H6 | 141.2° | 60.0° |
| H1 | C4 | C5 | H3 | 56.8° | 54.8° |
| H1 | C4 | C5 | H4 | 62.9° | 65.7° |
| H1 | C4 | C3 | H6 | 61.0° | 61.3° |
| H2 | C4 | C5 | H3 | 176.8° | 174.8° |
| H2 | C4 | C5 | H4 | 57.1° | 54.4° |
| H2 | C4 | C3 | H6 | 179.0° | 178.6° |
| H6 | C3 | C2 | H7 | 178.8° | 61.3° |
| H6 | C3 | C2 | H8 | 58.9° | 178.6° |
| H7 | C2 | C1 | H9 | 53.5° | 65.6° |
| H7 | C2 | C1 | H10 | 173.0° | 54.8° |
| H8 | C2 | C1 | H9 | 66.5° | 54.4° |
| H8 | C2 | C1 | H10 | 53.0° | 174.9° |
