A1CT7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.47Å | 1.43Å | |
| C5 | C6 | trip | 1.17Å | 1.21Å | |
| C6 | C7 | sing | 1.43Å | 1.43Å | |
| C7 | C8 | doub | 1.38Å | 1.40Å | |
| C7 | C12 | sing | 1.41Å | 1.45Å | |
| C8 | N1 | sing | 1.36Å | 1.37Å | |
| N1 | C9 | sing | 1.35Å | 1.40Å | |
| C9 | O1 | doub | 1.22Å | 1.24Å | |
| C9 | C10 | sing | 1.41Å | 1.46Å | |
| C10 | C11 | sing | 1.51Å | 1.47Å | |
| C10 | C12 | doub | 1.36Å | 1.36Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 108.0° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C1 | C2 | H4 | 109.9° | 109.5° |
| C1 | C2 | H5 | 109.8° | 109.4° |
| C2 | C3 | C4 | 107.1° | 109.5° |
| C3 | C2 | H4 | 109.8° | 109.5° |
| C3 | C2 | H5 | 109.8° | 109.5° |
| C2 | C3 | H7 | 110.1° | 109.4° |
| C2 | C3 | H6 | 110.1° | 109.5° |
| C3 | C4 | C5 | 116.4° | 109.5° |
| C3 | C4 | H9 | 107.7° | 109.4° |
| C3 | C4 | H8 | 107.7° | 109.5° |
| C4 | C3 | H7 | 110.0° | 109.4° |
| C4 | C3 | H6 | 110.1° | 109.5° |
| C4 | C5 | C6 | 176.7° | 180.0° |
| C5 | C4 | H9 | 107.7° | 109.5° |
| C5 | C4 | H8 | 107.7° | 109.5° |
| C5 | C6 | C7 | 178.2° | 180.0° |
| C6 | C7 | C8 | 123.5° | 120.2° |
| C6 | C7 | C12 | 121.4° | 120.2° |
| C8 | C7 | C12 | 115.0° | 119.6° |
| C7 | C8 | N1 | 123.1° | 120.4° |
| C7 | C8 | H10 | 118.5° | 119.8° |
| C7 | C12 | C10 | 122.4° | 119.1° |
| C7 | C12 | H15 | 118.8° | 120.5° |
| C8 | N1 | C9 | 123.2° | 120.9° |
| C8 | N1 | H11 | 118.4° | 119.6° |
| N1 | C8 | H10 | 118.4° | 119.8° |
| N1 | C9 | O1 | 119.3° | 119.8° |
| N1 | C9 | C10 | 114.7° | 120.5° |
| C9 | N1 | H11 | 118.4° | 119.6° |
| O1 | C9 | C10 | 126.0° | 119.7° |
| C9 | C10 | C11 | 112.0° | 120.2° |
| C9 | C10 | C12 | 121.6° | 119.6° |
| C11 | C10 | C12 | 126.4° | 120.2° |
| C10 | C11 | H13 | 109.5° | 109.5° |
| C10 | C11 | H12 | 109.5° | 109.4° |
| C10 | C11 | H14 | 109.5° | 109.5° |
| C10 | C12 | H15 | 118.8° | 120.4° |
| H9 | C4 | H8 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C1 | H2 | 109.5° | 109.5° |
| H13 | C11 | H12 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H12 | C11 | H14 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H7 | C3 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H4 | 119.8° | 120.1° |
| C1 | C2 | C3 | H5 | 119.7° | 119.9° |
| C1 | C2 | C3 | C4 | 176.6° | 180.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H3 | H2 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 120.7° | 119.9° |
| C1 | C2 | C3 | H7 | 63.8° | 60.1° |
| C1 | C2 | C3 | H6 | 56.9° | 59.9° |
| C2 | C3 | C4 | H7 | 119.6° | 119.9° |
| C2 | C3 | C4 | H6 | 119.6° | 120.1° |
| C2 | C3 | C4 | C5 | 166.4° | 180.0° |
| C2 | C3 | C4 | H9 | 45.4° | 60.0° |
| C2 | C3 | C4 | H8 | 72.6° | 60.0° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H3 | 60.0° | 60.0° |
| C3 | C2 | C1 | H2 | 60.0° | 180.0° |
| C3 | C2 | H4 | H5 | 120.7° | 120.0° |
| C2 | C3 | H7 | H6 | 121.1° | 120.0° |
| C3 | C4 | C5 | H9 | 121.0° | 119.9° |
| C3 | C4 | C5 | H8 | 121.0° | 120.0° |
| C3 | C4 | C5 | C6 | 126.7° | 13.3° |
| C3 | C4 | H9 | H8 | 116.8° | 120.0° |
| C4 | C3 | C2 | H4 | 56.8° | 59.9° |
| C4 | C3 | C2 | H5 | 63.7° | 60.1° |
| C4 | C3 | H7 | H6 | 121.1° | 120.0° |
| C4 | C5 | C6 | C7 | 5.1° | 55.2° |
| C5 | C4 | H9 | H8 | 116.8° | 120.0° |
| C5 | C4 | C3 | H7 | 73.9° | 60.1° |
| C5 | C4 | C3 | H6 | 46.8° | 59.9° |
| C5 | C6 | C7 | C8 | 96.8° | 8.5° |
| C5 | C6 | C7 | C12 | 80.1° | 171.4° |
| C6 | C5 | C4 | H9 | 5.6° | 133.3° |
| C6 | C5 | C4 | H8 | 112.3° | 106.7° |
| C6 | C7 | C8 | C12 | 177.1° | 179.9° |
| C6 | C7 | C8 | N1 | 178.7° | 179.9° |
| C6 | C7 | C12 | C10 | 179.2° | 179.7° |
| C6 | C7 | C8 | H10 | 1.4° | 0.0° |
| C6 | C7 | C12 | H15 | 0.8° | 0.1° |
| C7 | C8 | N1 | H10 | 180.0° | 179.9° |
| C7 | C8 | N1 | C9 | 0.4° | 0.0° |
| C8 | C7 | C12 | C10 | 2.0° | 0.2° |
| C7 | C8 | N1 | H11 | 179.7° | 179.7° |
| C8 | C7 | C12 | H15 | 178.0° | 180.0° |
| C12 | C7 | C8 | N1 | 1.5° | 0.0° |
| C7 | C12 | C10 | C9 | 0.7° | 0.5° |
| C7 | C12 | C10 | C11 | 177.8° | 180.0° |
| C7 | C12 | C10 | H15 | 180.0° | 179.8° |
| C12 | C7 | C8 | H10 | 178.5° | 179.9° |
| C8 | N1 | C9 | H11 | 180.0° | 179.7° |
| C8 | N1 | C9 | O1 | 179.9° | 179.6° |
| C8 | N1 | C9 | C10 | 1.7° | 0.3° |
| N1 | C9 | O1 | C10 | 178.0° | 179.9° |
| N1 | C9 | C10 | C11 | 179.8° | 180.0° |
| N1 | C9 | C10 | C12 | 1.2° | 0.5° |
| C9 | N1 | C8 | H10 | 179.6° | 180.0° |
| O1 | C9 | C10 | C11 | 2.1° | 0.1° |
| O1 | C9 | C10 | C12 | 179.2° | 179.4° |
| O1 | C9 | N1 | H11 | 0.1° | 0.0° |
| C9 | C10 | C11 | C12 | 178.6° | 179.5° |
| C10 | C9 | N1 | H11 | 178.3° | 179.9° |
| C9 | C10 | C11 | H13 | 180.0° | 89.5° |
| C9 | C10 | C11 | H12 | 60.0° | 30.5° |
| C9 | C10 | C11 | H14 | 60.0° | 150.5° |
| C9 | C10 | C12 | H15 | 179.3° | 179.8° |
| C10 | C11 | H13 | H12 | 120.0° | 119.9° |
| C10 | C11 | H13 | H14 | 120.0° | 120.0° |
| C10 | C11 | H12 | H14 | 120.0° | 120.0° |
| C11 | C10 | C12 | H15 | 2.2° | 0.2° |
| C12 | C10 | C11 | H13 | 1.4° | 90.1° |
| C12 | C10 | C11 | H12 | 121.4° | 150.0° |
| C12 | C10 | C11 | H14 | 118.6° | 29.9° |
| H11 | N1 | C8 | H10 | 0.4° | 0.4° |
| H9 | C4 | C3 | H7 | 165.0° | 180.0° |
| H9 | C4 | C3 | H6 | 74.2° | 60.0° |
| H8 | C4 | C3 | H7 | 47.1° | 60.0° |
| H8 | C4 | C3 | H6 | 167.8° | 180.0° |
| H1 | C1 | H3 | H2 | 120.0° | 120.1° |
| H1 | C1 | C2 | H4 | 60.2° | 60.0° |
| H1 | C1 | C2 | H5 | 60.3° | 180.0° |
| H3 | C1 | C2 | H4 | 59.7° | 180.0° |
| H3 | C1 | C2 | H5 | 179.7° | 60.0° |
| H2 | C1 | C2 | H4 | 179.7° | 59.9° |
| H2 | C1 | C2 | H5 | 59.7° | 60.0° |
| H13 | C11 | H12 | H14 | 120.0° | 120.0° |
| H4 | C2 | C3 | H7 | 176.4° | 60.0° |
| H4 | C2 | C3 | H6 | 62.8° | NaN° |
| H5 | C2 | C3 | H7 | 55.9° | 180.0° |
| H5 | C2 | C3 | H6 | 176.7° | 60.0° |
