A1CV6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S1 | C1 | doub | 1.71Å | 1.68Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| N1 | C2 | sing | 1.46Å | 1.46Å | |
| C2 | C3 | sing | 1.52Å | 1.52Å | |
| C3 | C4 | sing | 1.52Å | 1.51Å | |
| C4 | C5 | sing | 1.54Å | 1.52Å | |
| C5 | N2 | sing | 1.46Å | 1.46Å | |
| C1 | N2 | sing | 1.32Å | 1.34Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S1 | C1 | N1 | 120.6° | 117.4° |
| S1 | C1 | N2 | 120.7° | 117.5° |
| C1 | N1 | C2 | 127.0° | 120.8° |
| N1 | C1 | N2 | 118.7° | 125.1° |
| C1 | N1 | H1 | 116.5° | 119.6° |
| N1 | C2 | C3 | 111.2° | 110.3° |
| C2 | N1 | H1 | 116.5° | 119.6° |
| N1 | C2 | H2 | 109.0° | 109.3° |
| N1 | C2 | H3 | 109.0° | 109.4° |
| C2 | C3 | C4 | 111.2° | 112.7° |
| C3 | C2 | H2 | 109.0° | 109.3° |
| C3 | C2 | H3 | 109.0° | 109.3° |
| C2 | C3 | H4 | 109.0° | 108.9° |
| C2 | C3 | H5 | 109.1° | 108.9° |
| C3 | C4 | C5 | 111.6° | 109.0° |
| C4 | C3 | H4 | 109.1° | 108.8° |
| C4 | C3 | H5 | 109.0° | 108.8° |
| C3 | C4 | H6 | 108.9° | 109.5° |
| C3 | C4 | H7 | 108.9° | 109.6° |
| C4 | C5 | N2 | 113.7° | 110.3° |
| C4 | C5 | H8 | 108.4° | 109.7° |
| C4 | C5 | H9 | 108.4° | 108.6° |
| C5 | C4 | H6 | 108.9° | 109.5° |
| C5 | C4 | H7 | 108.9° | 109.6° |
| C5 | N2 | C1 | 126.9° | 124.5° |
| N2 | C5 | H8 | 108.4° | 109.4° |
| N2 | C5 | H9 | 108.4° | 109.4° |
| C5 | N2 | H10 | 116.5° | 117.7° |
| C1 | N2 | H10 | 116.6° | 117.8° |
| H8 | C5 | H9 | 109.5° | 109.4° |
| H2 | C2 | H3 | 109.5° | 109.2° |
| H4 | C3 | H5 | 109.5° | 108.7° |
| H6 | C4 | H7 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S1 | C1 | N1 | N2 | 179.6° | 180.0° |
| S1 | C1 | N1 | C2 | 177.5° | 166.0° |
| S1 | C1 | N2 | C5 | 178.3° | 168.5° |
| S1 | C1 | N1 | H1 | 2.5° | 13.8° |
| S1 | C1 | N2 | H10 | 1.7° | 11.6° |
| C1 | N1 | C2 | H1 | 180.0° | 179.8° |
| C1 | N1 | C2 | C3 | 60.5° | 77.9° |
| N1 | C1 | N2 | C5 | 1.3° | 11.5° |
| N1 | C1 | N2 | H10 | 178.7° | 168.4° |
| C1 | N1 | C2 | H2 | 59.8° | 42.3° |
| C1 | N1 | C2 | H3 | 179.2° | 161.8° |
| N1 | C2 | C3 | H2 | 120.3° | 120.2° |
| N1 | C2 | C3 | H3 | 120.3° | 120.3° |
| N1 | C2 | C3 | C4 | 79.3° | 54.2° |
| C2 | N1 | C1 | N2 | 2.9° | 14.0° |
| N1 | C2 | H2 | H3 | 119.2° | 119.6° |
| N1 | C2 | C3 | H4 | 160.4° | 175.0° |
| N1 | C2 | C3 | H5 | 40.9° | 66.6° |
| C2 | C3 | C4 | H4 | 120.3° | 120.9° |
| C2 | C3 | C4 | H5 | 120.3° | 120.9° |
| C2 | C3 | C4 | C5 | 10.0° | 31.4° |
| C3 | C2 | N1 | H1 | 119.5° | 102.3° |
| C3 | C2 | H2 | H3 | 119.2° | 119.6° |
| C2 | C3 | H4 | H5 | 119.2° | 118.5° |
| C2 | C3 | C4 | H6 | 110.3° | 88.3° |
| C2 | C3 | C4 | H7 | 130.3° | 151.4° |
| C3 | C4 | C5 | H6 | 120.3° | 119.8° |
| C3 | C4 | C5 | H7 | 120.3° | 119.9° |
| C3 | C4 | C5 | N2 | 66.4° | 86.7° |
| C3 | C4 | C5 | H8 | 54.2° | 152.8° |
| C3 | C4 | C5 | H9 | 173.0° | 33.2° |
| C4 | C3 | C2 | H2 | 40.9° | 66.0° |
| C4 | C3 | C2 | H3 | 160.4° | 174.5° |
| C4 | C3 | H4 | H5 | 119.2° | 118.3° |
| C3 | C4 | H6 | H7 | 119.0° | 120.2° |
| C4 | C5 | N2 | H8 | 120.6° | 120.8° |
| C4 | C5 | N2 | H9 | 120.6° | 119.5° |
| C4 | C5 | N2 | C1 | 65.2° | 43.5° |
| C4 | C5 | H8 | H9 | 118.1° | 119.1° |
| C4 | C5 | N2 | H10 | 114.8° | 136.6° |
| C5 | C4 | C3 | H4 | 130.2° | 89.4° |
| C5 | C4 | C3 | H5 | 110.3° | 152.3° |
| C5 | C4 | H6 | H7 | 119.0° | 120.3° |
| C5 | N2 | C1 | H10 | 180.0° | 179.9° |
| N2 | C5 | H8 | H9 | 118.1° | 119.8° |
| N2 | C5 | C4 | H6 | 173.3° | 33.1° |
| N2 | C5 | C4 | H7 | 53.9° | 153.4° |
| N2 | C1 | N1 | H1 | 177.1° | 166.3° |
| C1 | N2 | C5 | H8 | 55.4° | 164.2° |
| C1 | N2 | C5 | H9 | 174.2° | 76.0° |
| H1 | N1 | C2 | H2 | 120.2° | 137.5° |
| H1 | N1 | C2 | H3 | 0.7° | 18.0° |
| H8 | C5 | N2 | H10 | 124.6° | 15.8° |
| H8 | C5 | C4 | H6 | 66.1° | 87.5° |
| H8 | C5 | C4 | H7 | 174.6° | 32.8° |
| H9 | C5 | N2 | H10 | 5.8° | 103.9° |
| H9 | C5 | C4 | H6 | 52.7° | 153.0° |
| H9 | C5 | C4 | H7 | 66.7° | 86.7° |
| H2 | C2 | C3 | H4 | 79.3° | 54.8° |
| H2 | C2 | C3 | H5 | 161.2° | 173.2° |
| H3 | C2 | C3 | H4 | 40.2° | 64.7° |
| H3 | C2 | C3 | H5 | 79.3° | 53.7° |
| H4 | C3 | C4 | H6 | 9.9° | 150.8° |
| H4 | C3 | C4 | H7 | 109.4° | 30.5° |
| H5 | C3 | C4 | H6 | 129.4° | 32.5° |
| H5 | C3 | C4 | H7 | 10.0° | 87.8° |
