A1CP6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | C03 | doub | 1.22Å | 1.18Å | |
| C01 | O02 | sing | 1.45Å | 1.40Å | |
| C03 | O02 | sing | 1.35Å | 1.40Å | |
| C03 | N05 | sing | 1.35Å | 1.45Å | |
| C08 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | N05 | sing | 1.40Å | 1.45Å | |
| C06 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C07 | H4 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| N05 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | C03 | O02 | 119.3° | 120.0° |
| O04 | C03 | N05 | 119.5° | 120.0° |
| C01 | O02 | C03 | 113.9° | 117.0° |
| O02 | C01 | H1 | 109.5° | 109.4° |
| O02 | C01 | H2 | 109.5° | 109.5° |
| O02 | C01 | H3 | 109.5° | 109.4° |
| O02 | C03 | N05 | 121.2° | 120.0° |
| C03 | N05 | C06 | 118.9° | 120.0° |
| C03 | N05 | H11 | 120.6° | 120.0° |
| C07 | C08 | C09 | 119.9° | 120.1° |
| C08 | C07 | C06 | 120.3° | 120.0° |
| C08 | C07 | H4 | 119.8° | 120.0° |
| C07 | C08 | H5 | 120.1° | 120.0° |
| C08 | C09 | C10 | 120.0° | 120.1° |
| C09 | C08 | H5 | 120.0° | 119.9° |
| C08 | C09 | H6 | 120.0° | 120.0° |
| C07 | C06 | N05 | 119.8° | 120.1° |
| C07 | C06 | C12 | 120.0° | 119.8° |
| C06 | C07 | H4 | 119.8° | 120.0° |
| C09 | C10 | C12 | 120.1° | 120.0° |
| C09 | C10 | C11 | 119.5° | 119.9° |
| C10 | C09 | H6 | 120.0° | 119.9° |
| N05 | C06 | C12 | 120.2° | 120.1° |
| C06 | N05 | H11 | 120.5° | 120.0° |
| C06 | C12 | C10 | 119.8° | 120.0° |
| C06 | C12 | H10 | 120.1° | 120.0° |
| C12 | C10 | C11 | 120.4° | 120.0° |
| C10 | C12 | H10 | 120.1° | 120.0° |
| C10 | C11 | H7 | 109.5° | 109.5° |
| C10 | C11 | H8 | 109.5° | 109.5° |
| C10 | C11 | H9 | 109.5° | 109.4° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H7 | C11 | H8 | 109.5° | 109.5° |
| H7 | C11 | H9 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | C03 | O02 | C01 | 48.9° | 0.0° |
| O04 | C03 | O02 | N05 | 179.5° | 180.0° |
| O04 | C03 | N05 | C06 | 43.7° | 4.6° |
| O04 | C03 | N05 | H11 | 136.4° | 175.3° |
| C01 | O02 | C03 | N05 | 131.6° | 180.0° |
| O02 | C01 | H1 | H2 | 120.0° | 120.0° |
| O02 | C01 | H1 | H3 | 120.0° | 119.9° |
| O02 | C01 | H2 | H3 | 120.0° | 120.0° |
| O02 | C03 | N05 | C06 | 135.8° | 175.4° |
| C03 | O02 | C01 | H1 | 180.0° | 60.0° |
| C03 | O02 | C01 | H2 | 60.0° | 180.0° |
| C03 | O02 | C01 | H3 | 60.0° | 60.0° |
| O02 | C03 | N05 | H11 | 44.1° | 4.7° |
| C03 | N05 | C06 | C07 | 34.8° | 35.1° |
| C03 | N05 | C06 | H11 | 180.0° | 180.0° |
| C03 | N05 | C06 | C12 | 144.9° | 144.9° |
| C07 | C08 | C09 | H5 | 180.0° | 179.3° |
| C08 | C07 | C06 | H4 | 180.0° | 179.5° |
| C07 | C08 | C09 | C10 | 0.1° | 0.4° |
| C08 | C07 | C06 | N05 | 179.7° | 179.5° |
| C08 | C07 | C06 | C12 | 0.0° | 0.5° |
| C07 | C08 | C09 | H6 | 179.9° | 179.5° |
| C09 | C08 | C07 | C06 | 0.1° | 0.7° |
| C08 | C09 | C10 | H6 | 180.0° | 180.0° |
| C08 | C09 | C10 | C12 | 0.0° | 0.1° |
| C08 | C09 | C10 | C11 | 180.0° | 179.7° |
| C09 | C08 | C07 | H4 | 179.9° | 179.7° |
| C07 | C06 | N05 | C12 | 179.7° | 180.0° |
| C07 | C06 | C12 | C10 | 0.1° | 0.0° |
| C06 | C07 | C08 | H5 | 179.9° | 180.0° |
| C07 | C06 | C12 | H10 | 179.9° | 180.0° |
| C07 | C06 | N05 | H11 | 145.2° | 144.8° |
| C09 | C10 | C12 | C06 | 0.1° | 0.3° |
| C09 | C10 | C12 | C11 | 179.9° | 179.7° |
| C10 | C09 | C08 | H5 | 179.9° | 179.7° |
| C09 | C10 | C11 | H7 | 90.0° | 90.3° |
| C09 | C10 | C11 | H8 | 150.0° | 29.7° |
| C09 | C10 | C11 | H9 | 30.0° | 149.7° |
| C09 | C10 | C12 | H10 | 179.9° | 179.7° |
| N05 | C06 | C12 | C10 | 179.8° | 180.0° |
| N05 | C06 | C07 | H4 | 0.3° | 0.0° |
| N05 | C06 | C12 | H10 | 0.2° | 0.0° |
| C06 | C12 | C10 | H10 | 180.0° | 180.0° |
| C06 | C12 | C10 | C11 | 180.0° | 180.0° |
| C12 | C06 | C07 | H4 | 179.9° | 180.0° |
| C12 | C06 | N05 | H11 | 35.1° | 35.1° |
| C12 | C10 | C09 | H6 | 180.0° | 180.0° |
| C12 | C10 | C11 | H7 | 90.0° | 90.0° |
| C12 | C10 | C11 | H8 | 30.1° | 149.9° |
| C12 | C10 | C11 | H9 | 150.0° | 30.0° |
| C11 | C10 | C09 | H6 | 0.0° | 0.3° |
| C10 | C11 | H7 | H8 | 120.0° | 120.0° |
| C10 | C11 | H7 | H9 | 120.0° | 119.9° |
| C10 | C11 | H8 | H9 | 120.0° | 119.9° |
| C11 | C10 | C12 | H10 | 0.1° | 0.1° |
| H1 | C01 | H2 | H3 | 119.9° | 120.1° |
| H4 | C07 | C08 | H5 | 0.1° | 0.5° |
| H5 | C08 | C09 | H6 | 0.1° | 0.2° |
| H7 | C11 | H8 | H9 | 120.0° | 120.0° |
