A1CUV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C4 | N1 | doub | 1.28Å | 1.28Å | |
| N1 | N2 | sing | 1.40Å | 1.37Å | |
| N2 | C5 | sing | 1.35Å | 1.34Å | |
| C5 | O1 | doub | 1.21Å | 1.22Å | |
| C5 | C6 | sing | 1.52Å | 1.52Å | |
| C4 | C6 | sing | 1.52Å | 1.51Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.51Å | 1.49Å | |
| C8 | C9 | doub | 1.31Å | 1.30Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 114.3° | 109.4° |
| C1 | C2 | H4 | 108.2° | 109.4° |
| C1 | C2 | H5 | 108.2° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C3 | C4 | 110.8° | 109.5° |
| C2 | C3 | H6 | 109.1° | 109.5° |
| C2 | C3 | H7 | 109.1° | 109.5° |
| C3 | C2 | H4 | 108.2° | 109.5° |
| C3 | C2 | H5 | 108.3° | 109.5° |
| C3 | C4 | N1 | 123.5° | 126.4° |
| C3 | C4 | C6 | 123.0° | 126.4° |
| C4 | C3 | H6 | 109.1° | 109.5° |
| C4 | C3 | H7 | 109.1° | 109.5° |
| C4 | N1 | N2 | 107.5° | 113.1° |
| N1 | C4 | C6 | 113.5° | 107.1° |
| N1 | N2 | C5 | 113.8° | 111.0° |
| N1 | N2 | H8 | 123.1° | 124.4° |
| N2 | C5 | O1 | 125.9° | 127.5° |
| N2 | C5 | C6 | 106.6° | 105.0° |
| C5 | N2 | H8 | 123.1° | 124.5° |
| O1 | C5 | C6 | 127.5° | 127.5° |
| C5 | C6 | C4 | 98.6° | 103.7° |
| C5 | C6 | C7 | 113.4° | 110.6° |
| C5 | C6 | H9 | 110.6° | 110.7° |
| C4 | C6 | C7 | 112.4° | 110.6° |
| C4 | C6 | H9 | 110.9° | 110.6° |
| C6 | C7 | C8 | 113.0° | 109.5° |
| C6 | C7 | H10 | 108.6° | 109.5° |
| C6 | C7 | H11 | 108.6° | 109.5° |
| C7 | C6 | H9 | 110.5° | 110.6° |
| C7 | C8 | C9 | 126.8° | 120.0° |
| C8 | C7 | H10 | 108.6° | 109.4° |
| C8 | C7 | H11 | 108.6° | 109.5° |
| C7 | C8 | H12 | 116.6° | 120.0° |
| C8 | C9 | H13 | 120.0° | 120.0° |
| C8 | C9 | H14 | 120.0° | 120.0° |
| C9 | C8 | H12 | 116.6° | 120.0° |
| H10 | C7 | H11 | 109.5° | 109.4° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H13 | C9 | H14 | 120.0° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H4 | 120.7° | 119.9° |
| C1 | C2 | C3 | H5 | 120.7° | 120.0° |
| C1 | C2 | C3 | C4 | 56.2° | 180.0° |
| C1 | C2 | C3 | H6 | 64.0° | 60.0° |
| C1 | C2 | C3 | H7 | 176.4° | 60.0° |
| C1 | C2 | H4 | H5 | 117.8° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C2 | C3 | C4 | H6 | 120.2° | 120.0° |
| C2 | C3 | C4 | H7 | 120.2° | 120.0° |
| C2 | C3 | C4 | N1 | 102.6° | 0.0° |
| C2 | C3 | C4 | C6 | 76.7° | 179.9° |
| C2 | C3 | H6 | H7 | 119.4° | 120.0° |
| C3 | C2 | H4 | H5 | 117.8° | 120.0° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | H2 | 60.0° | 60.0° |
| C3 | C2 | C1 | H3 | 60.0° | 60.0° |
| C3 | C4 | N1 | C6 | 179.4° | 179.9° |
| C3 | C4 | N1 | N2 | 180.0° | 180.0° |
| C3 | C4 | C6 | C5 | 179.8° | 180.0° |
| C3 | C4 | C6 | C7 | 60.0° | 61.4° |
| C3 | C4 | C6 | H9 | 64.2° | 61.4° |
| C4 | C3 | H6 | H7 | 119.4° | 120.0° |
| C4 | C3 | C2 | H4 | 176.9° | 60.0° |
| C4 | C3 | C2 | H5 | 64.5° | 60.0° |
| C4 | N1 | N2 | C5 | 0.0° | 0.0° |
| N1 | C4 | C6 | C5 | 0.8° | 0.1° |
| N1 | C4 | C6 | C7 | 120.6° | 118.5° |
| N1 | C4 | C6 | H9 | 115.2° | 118.7° |
| N1 | C4 | C3 | H6 | 17.6° | 120.0° |
| N1 | C4 | C3 | H7 | 137.2° | 120.0° |
| C4 | N1 | N2 | H8 | 180.0° | 180.0° |
| N1 | N2 | C5 | H8 | 180.0° | 179.9° |
| N1 | N2 | C5 | O1 | 179.9° | 179.9° |
| N1 | N2 | C5 | C6 | 0.5° | 0.0° |
| N2 | N1 | C4 | C6 | 0.6° | 0.1° |
| N2 | C5 | O1 | C6 | 179.4° | 179.9° |
| N2 | C5 | C6 | C4 | 0.8° | 0.0° |
| N2 | C5 | C6 | C7 | 119.7° | 118.5° |
| N2 | C5 | C6 | H9 | 115.5° | 118.6° |
| O1 | C5 | C6 | C4 | 179.7° | 179.9° |
| O1 | C5 | C6 | C7 | 60.7° | 61.5° |
| O1 | C5 | C6 | H9 | 64.0° | 61.3° |
| O1 | C5 | N2 | H8 | 0.1° | 0.1° |
| C5 | C6 | C4 | C7 | 119.8° | 118.6° |
| C5 | C6 | C4 | H9 | 116.0° | 118.6° |
| C5 | C6 | C7 | H9 | 124.8° | 122.9° |
| C5 | C6 | C7 | C8 | 76.6° | 68.6° |
| C5 | C6 | C7 | H10 | 44.0° | 51.4° |
| C5 | C6 | C7 | H11 | 162.9° | 171.4° |
| C6 | C5 | N2 | H8 | 179.5° | 179.9° |
| C4 | C6 | C7 | H9 | 124.4° | 122.8° |
| C4 | C6 | C7 | C8 | 172.7° | 177.1° |
| C4 | C6 | C7 | H10 | 66.7° | 62.9° |
| C4 | C6 | C7 | H11 | 52.2° | 57.1° |
| C6 | C4 | C3 | H6 | 163.1° | 60.0° |
| C6 | C4 | C3 | H7 | 43.5° | 60.0° |
| C6 | C7 | C8 | H10 | 120.5° | 120.0° |
| C6 | C7 | C8 | H11 | 120.5° | 120.1° |
| C6 | C7 | C8 | C9 | 6.7° | 125.0° |
| C6 | C7 | H10 | H11 | 118.3° | 120.1° |
| C6 | C7 | C8 | H12 | 173.3° | 55.0° |
| C7 | C8 | C9 | H12 | 180.0° | 180.0° |
| C8 | C7 | H10 | H11 | 118.4° | 119.9° |
| C8 | C7 | C6 | H9 | 48.3° | 54.3° |
| C7 | C8 | C9 | H13 | 0.0° | 180.0° |
| C7 | C8 | C9 | H14 | 180.0° | 0.0° |
| C9 | C8 | C7 | H10 | 127.2° | 5.0° |
| C9 | C8 | C7 | H11 | 113.8° | 114.9° |
| C8 | C9 | H13 | H14 | 180.0° | 179.9° |
| H10 | C7 | C6 | H9 | 168.8° | 174.3° |
| H10 | C7 | C8 | H12 | 52.8° | 175.0° |
| H11 | C7 | C6 | H9 | 72.3° | 65.7° |
| H11 | C7 | C8 | H12 | 66.1° | 65.0° |
| H6 | C3 | C2 | H4 | 56.7° | 179.9° |
| H6 | C3 | C2 | H5 | 175.3° | 60.0° |
| H7 | C3 | C2 | H4 | 62.9° | 60.0° |
| H7 | C3 | C2 | H5 | 55.7° | 180.0° |
| H4 | C2 | C1 | H1 | 59.3° | 60.0° |
| H4 | C2 | C1 | H2 | 60.7° | 180.0° |
| H4 | C2 | C1 | H3 | 179.3° | 59.9° |
| H5 | C2 | C1 | H1 | 59.3° | 60.0° |
| H5 | C2 | C1 | H2 | 179.3° | 60.0° |
| H5 | C2 | C1 | H3 | 60.7° | 180.0° |
| H13 | C9 | C8 | H12 | 180.0° | 0.1° |
| H14 | C9 | C8 | H12 | 0.0° | NaN° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
