A1CWV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.22Å | 1.22Å | |
| C1 | N1 | sing | 1.34Å | 1.39Å | |
| N1 | C2 | sing | 1.35Å | 1.36Å | |
| C2 | O2 | doub | 1.21Å | 1.21Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | sing | 1.52Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C3 | C8 | sing | 1.52Å | 1.53Å | |
| C3 | N2 | sing | 1.47Å | 1.46Å | |
| C1 | N2 | sing | 1.35Å | 1.34Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | N1 | 124.3° | 123.8° |
| O1 | C1 | N2 | 128.4° | 123.7° |
| C1 | N1 | C2 | 111.5° | 111.6° |
| N1 | C1 | N2 | 107.3° | 112.5° |
| C1 | N1 | H1 | 124.2° | 124.2° |
| N1 | C2 | O2 | 126.5° | 127.2° |
| N1 | C2 | C3 | 107.7° | 105.5° |
| C2 | N1 | H1 | 124.2° | 124.2° |
| O2 | C2 | C3 | 125.7° | 127.3° |
| C2 | C3 | C4 | 110.7° | 110.4° |
| C2 | C3 | C8 | 109.8° | 110.4° |
| C2 | C3 | N2 | 100.2° | 104.1° |
| C3 | C4 | C5 | 111.6° | 109.6° |
| C4 | C3 | C8 | 110.8° | 110.7° |
| C4 | C3 | N2 | 112.1° | 110.5° |
| C3 | C4 | H2 | 109.0° | 109.4° |
| C3 | C4 | H3 | 108.9° | 109.4° |
| C4 | C5 | C6 | 111.3° | 109.4° |
| C5 | C4 | H2 | 108.9° | 109.4° |
| C5 | C4 | H3 | 108.9° | 109.4° |
| C4 | C5 | H4 | 109.0° | 109.4° |
| C4 | C5 | H5 | 109.0° | 109.5° |
| C5 | C6 | C7 | 109.7° | 109.5° |
| C6 | C5 | H4 | 109.0° | 109.4° |
| C6 | C5 | H5 | 109.0° | 109.5° |
| C5 | C6 | H6 | 109.4° | 109.4° |
| C5 | C6 | H7 | 109.4° | 109.4° |
| C6 | C7 | C8 | 110.6° | 109.5° |
| C7 | C6 | H6 | 109.4° | 109.5° |
| C7 | C6 | H7 | 109.4° | 109.5° |
| C6 | C7 | H8 | 109.2° | 109.5° |
| C6 | C7 | H9 | 109.2° | 109.5° |
| C7 | C8 | C3 | 112.8° | 109.6° |
| C8 | C7 | H8 | 109.2° | 109.5° |
| C8 | C7 | H9 | 109.2° | 109.5° |
| C7 | C8 | H10 | 108.6° | 109.4° |
| C7 | C8 | H11 | 108.6° | 109.5° |
| C8 | C3 | N2 | 112.7° | 110.6° |
| C3 | C8 | H10 | 108.6° | 109.5° |
| C3 | C8 | H11 | 108.6° | 109.4° |
| C3 | N2 | C1 | 113.3° | 106.4° |
| C3 | N2 | H12 | 123.4° | 126.8° |
| C1 | N2 | H12 | 123.4° | 126.8° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.4° | 109.5° |
| H6 | C6 | H7 | 109.4° | 109.4° |
| H8 | C7 | H9 | 109.5° | 109.4° |
| H10 | C8 | H11 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N1 | N2 | 178.8° | 179.8° |
| O1 | C1 | N1 | C2 | 179.8° | 179.7° |
| O1 | C1 | N2 | C3 | 179.8° | 179.7° |
| O1 | C1 | N1 | H1 | 0.3° | 0.2° |
| O1 | C1 | N2 | H12 | 0.2° | 0.2° |
| C1 | N1 | C2 | H1 | 180.0° | 180.0° |
| C1 | N1 | C2 | O2 | 179.9° | 180.0° |
| C1 | N1 | C2 | C3 | 0.2° | 0.1° |
| N1 | C1 | N2 | C3 | 1.5° | 0.0° |
| N1 | C1 | N2 | H12 | 178.5° | 180.0° |
| N1 | C2 | O2 | C3 | 179.7° | 179.9° |
| N1 | C2 | C3 | C4 | 117.9° | 118.6° |
| N1 | C2 | C3 | C8 | 119.4° | 118.7° |
| N1 | C2 | C3 | N2 | 0.6° | 0.0° |
| C2 | N1 | C1 | N2 | 1.0° | 0.1° |
| O2 | C2 | C3 | C4 | 62.4° | 61.3° |
| O2 | C2 | C3 | C8 | 60.3° | 61.4° |
| O2 | C2 | C3 | N2 | 179.1° | 180.0° |
| O2 | C2 | N1 | H1 | 0.1° | 0.1° |
| C2 | C3 | C4 | C8 | 122.1° | 122.5° |
| C2 | C3 | C4 | N2 | 110.9° | 114.6° |
| C2 | C3 | C4 | C5 | 173.7° | 178.9° |
| C2 | C3 | C8 | C7 | 174.3° | 178.9° |
| C2 | C3 | C8 | N2 | 110.8° | 114.6° |
| C2 | C3 | N2 | C1 | 1.3° | 0.0° |
| C2 | C3 | C4 | H2 | 65.9° | 58.9° |
| C2 | C3 | C4 | H3 | 53.4° | 61.1° |
| C2 | C3 | C8 | H10 | 65.2° | 61.1° |
| C2 | C3 | C8 | H11 | 53.8° | 58.8° |
| C3 | C2 | N1 | H1 | 179.9° | 180.0° |
| C2 | C3 | N2 | H12 | 178.7° | 180.0° |
| C3 | C4 | C5 | H2 | 120.3° | 120.0° |
| C3 | C4 | C5 | H3 | 120.3° | 120.0° |
| C3 | C4 | C5 | C6 | 56.5° | 59.1° |
| C4 | C3 | C8 | C7 | 51.6° | 58.6° |
| C4 | C3 | C8 | N2 | 126.6° | 122.9° |
| C4 | C3 | N2 | C1 | 116.2° | 118.5° |
| C3 | C4 | H2 | H3 | 119.0° | 119.9° |
| C3 | C4 | C5 | H4 | 63.8° | 60.8° |
| C3 | C4 | C5 | H5 | 176.7° | 179.1° |
| C4 | C3 | C8 | H10 | 172.1° | 61.5° |
| C4 | C3 | C8 | H11 | 68.8° | 178.6° |
| C4 | C3 | N2 | H12 | 63.9° | 61.5° |
| C4 | C5 | C6 | H4 | 120.3° | 119.9° |
| C4 | C5 | C6 | H5 | 120.3° | 120.0° |
| C4 | C5 | C6 | C7 | 59.4° | 60.4° |
| C5 | C4 | C3 | C8 | 51.6° | 58.6° |
| C5 | C4 | C3 | N2 | 75.3° | 64.3° |
| C5 | C4 | H2 | H3 | 119.0° | 119.9° |
| C4 | C5 | H4 | H5 | 119.2° | 120.1° |
| C4 | C5 | C6 | H6 | 179.5° | 179.5° |
| C4 | C5 | C6 | H7 | 60.6° | 59.6° |
| C5 | C6 | C7 | H6 | 120.0° | 120.0° |
| C5 | C6 | C7 | H7 | 120.1° | 120.0° |
| C5 | C6 | C7 | C8 | 58.4° | 60.5° |
| C6 | C5 | C4 | H2 | 176.8° | 179.1° |
| C6 | C5 | C4 | H3 | 63.9° | 60.9° |
| C6 | C5 | H4 | H5 | 119.2° | 120.1° |
| C5 | C6 | H6 | H7 | 119.9° | 119.9° |
| C5 | C6 | C7 | H8 | 61.8° | 59.6° |
| C5 | C6 | C7 | H9 | 178.6° | 179.5° |
| C6 | C7 | C8 | H8 | 120.2° | 120.0° |
| C6 | C7 | C8 | H9 | 120.2° | 120.0° |
| C6 | C7 | C8 | C3 | 55.5° | 59.2° |
| C7 | C6 | C5 | H4 | 60.8° | 59.5° |
| C7 | C6 | C5 | H5 | 179.7° | 179.6° |
| C7 | C6 | H6 | H7 | 119.9° | 120.0° |
| C6 | C7 | H8 | H9 | 119.5° | 120.0° |
| C6 | C7 | C8 | H10 | 176.0° | 60.9° |
| C6 | C7 | C8 | H11 | 65.0° | 179.2° |
| C7 | C8 | C3 | H10 | 120.5° | 120.1° |
| C7 | C8 | C3 | H11 | 120.5° | 120.0° |
| C7 | C8 | C3 | N2 | 75.0° | 64.3° |
| C8 | C7 | C6 | H6 | 178.5° | 179.5° |
| C8 | C7 | C6 | H7 | 61.6° | 59.5° |
| C8 | C7 | H8 | H9 | 119.4° | 120.0° |
| C7 | C8 | H10 | H11 | 118.5° | 119.9° |
| C8 | C3 | N2 | C1 | 117.9° | 118.5° |
| C8 | C3 | C4 | H2 | 171.9° | 178.6° |
| C8 | C3 | C4 | H3 | 68.7° | 61.5° |
| C3 | C8 | C7 | H8 | 64.7° | 60.9° |
| C3 | C8 | C7 | H9 | 175.7° | 179.2° |
| C3 | C8 | H10 | H11 | 118.5° | 119.9° |
| C8 | C3 | N2 | H12 | 62.0° | 61.5° |
| C3 | N2 | C1 | H12 | 180.0° | 180.0° |
| N2 | C3 | C4 | H2 | 45.0° | 55.7° |
| N2 | C3 | C4 | H3 | 164.4° | 175.7° |
| N2 | C3 | C8 | H10 | 45.5° | 175.7° |
| N2 | C3 | C8 | H11 | 164.5° | 55.7° |
| N2 | C1 | N1 | H1 | 179.0° | 180.0° |
| H2 | C4 | C5 | H4 | 56.5° | 59.2° |
| H2 | C4 | C5 | H5 | 62.9° | 60.8° |
| H3 | C4 | C5 | H4 | 175.8° | 179.2° |
| H3 | C4 | C5 | H5 | 56.4° | 59.1° |
| H4 | C5 | C6 | H6 | 59.2° | 60.6° |
| H4 | C5 | C6 | H7 | 179.1° | 179.5° |
| H5 | C5 | C6 | H6 | 60.3° | 59.5° |
| H5 | C5 | C6 | H7 | 59.7° | 60.4° |
| H6 | C6 | C7 | H8 | 58.3° | 60.4° |
| H6 | C6 | C7 | H9 | 61.4° | 59.5° |
| H7 | C6 | C7 | H8 | 178.2° | 179.6° |
| H7 | C6 | C7 | H9 | 58.5° | 60.5° |
| H8 | C7 | C8 | H10 | 55.8° | 179.1° |
| H8 | C7 | C8 | H11 | 174.9° | 59.2° |
| H9 | C7 | C8 | H10 | 63.8° | 59.1° |
| H9 | C7 | C8 | H11 | 55.2° | 60.8° |
