A1CPO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N12 | N13 | sing | 1.40Å | 1.36Å | Aromatic |
| N12 | C11 | sing | 1.35Å | 1.32Å | Aromatic |
| N13 | N14 | doub | 1.29Å | 1.37Å | Aromatic |
| C11 | C10 | doub | 1.37Å | 1.38Å | Aromatic |
| N14 | C10 | sing | 1.34Å | 1.32Å | Aromatic |
| C10 | C08 | sing | 1.48Å | 1.53Å | |
| N07 | C08 | sing | 1.35Å | 1.46Å | |
| N07 | C06 | sing | 1.40Å | 1.46Å | |
| C08 | O09 | doub | 1.22Å | 1.19Å | |
| C15 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| F17 | C16 | sing | 1.35Å | 1.37Å | |
| C06 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C01 | O02 | sing | 1.43Å | 1.40Å | |
| C05 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.38Å | Aromatic |
| C03 | O02 | sing | 1.36Å | 1.40Å | |
| N12 | H1 | sing | 0.97Å | 1.00Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| N07 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N13 | N12 | C11 | 108.1° | 106.8° |
| N12 | N13 | N14 | 107.9° | 108.4° |
| N13 | N12 | H1 | 125.9° | 126.6° |
| N12 | C11 | C10 | 107.9° | 106.8° |
| C11 | N12 | H1 | 126.0° | 126.6° |
| N12 | C11 | H8 | 126.0° | 126.6° |
| N13 | N14 | C10 | 107.8° | 109.5° |
| C11 | C10 | N14 | 108.4° | 108.5° |
| C11 | C10 | C08 | 125.1° | 125.7° |
| C10 | C11 | H8 | 126.1° | 126.6° |
| N14 | C10 | C08 | 126.6° | 125.8° |
| C10 | C08 | N07 | 119.8° | 120.0° |
| C10 | C08 | O09 | 117.7° | 120.0° |
| C08 | N07 | C06 | 125.5° | 120.0° |
| N07 | C08 | O09 | 122.5° | 120.0° |
| C08 | N07 | H9 | 117.2° | 120.0° |
| N07 | C06 | C15 | 119.1° | 120.0° |
| N07 | C06 | C05 | 122.3° | 120.0° |
| C06 | N07 | H9 | 117.3° | 120.0° |
| C06 | C15 | C16 | 120.5° | 120.0° |
| C15 | C06 | C05 | 118.7° | 120.0° |
| C06 | C15 | H2 | 119.8° | 120.0° |
| C15 | C16 | F17 | 120.1° | 120.1° |
| C15 | C16 | C03 | 120.3° | 119.9° |
| C16 | C15 | H2 | 119.8° | 120.0° |
| F17 | C16 | C03 | 119.6° | 120.0° |
| C06 | C05 | C04 | 121.1° | 120.0° |
| C06 | C05 | H7 | 119.5° | 120.0° |
| C16 | C03 | C04 | 119.5° | 120.1° |
| C16 | C03 | O02 | 120.6° | 119.9° |
| C01 | O02 | C03 | 114.7° | 117.0° |
| O02 | C01 | H3 | 109.5° | 109.5° |
| O02 | C01 | H4 | 109.5° | 109.5° |
| O02 | C01 | H5 | 109.5° | 109.5° |
| C05 | C04 | C03 | 120.0° | 120.0° |
| C05 | C04 | H6 | 120.0° | 120.0° |
| C04 | C05 | H7 | 119.5° | 120.0° |
| C04 | C03 | O02 | 119.8° | 120.0° |
| C03 | C04 | H6 | 120.0° | 120.0° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H5 | 109.5° | 109.4° |
| H4 | C01 | H5 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N13 | N12 | C11 | H1 | 180.0° | 180.0° |
| N13 | N12 | C11 | C10 | 0.0° | 0.1° |
| N12 | N13 | N14 | C10 | 0.2° | 0.2° |
| N13 | N12 | C11 | H8 | 180.0° | 179.9° |
| C11 | N12 | N13 | N14 | 0.1° | 0.0° |
| N12 | C11 | C10 | H8 | 180.0° | 180.0° |
| N12 | C11 | C10 | N14 | 0.1° | 0.2° |
| N12 | C11 | C10 | C08 | 179.8° | 180.0° |
| N13 | N14 | C10 | C11 | 0.2° | 0.3° |
| N13 | N14 | C10 | C08 | 179.9° | 180.0° |
| N14 | N13 | N12 | H1 | 179.9° | 179.9° |
| C11 | C10 | N14 | C08 | 179.7° | 179.7° |
| C11 | C10 | C08 | N07 | 147.2° | 179.9° |
| C11 | C10 | C08 | O09 | 33.0° | 0.0° |
| C10 | C11 | N12 | H1 | 180.0° | 179.9° |
| N14 | C10 | C08 | N07 | 33.1° | 0.4° |
| N14 | C10 | C08 | O09 | 146.7° | 179.7° |
| N14 | C10 | C11 | H8 | 179.9° | 179.8° |
| C10 | C08 | N07 | O09 | 179.8° | 179.9° |
| C10 | C08 | N07 | C06 | 180.0° | 175.4° |
| C08 | C10 | C11 | H8 | 0.2° | 0.0° |
| C10 | C08 | N07 | H9 | 0.0° | 4.6° |
| C08 | N07 | C06 | H9 | 180.0° | 180.0° |
| C08 | N07 | C06 | C15 | 177.6° | 144.9° |
| C08 | N07 | C06 | C05 | 2.6° | 35.1° |
| C06 | N07 | C08 | O09 | 0.1° | 4.6° |
| N07 | C06 | C15 | C05 | 179.8° | 179.9° |
| N07 | C06 | C15 | C16 | 179.8° | 179.9° |
| N07 | C06 | C05 | C04 | 179.8° | 179.9° |
| N07 | C06 | C15 | H2 | 0.2° | 0.3° |
| N07 | C06 | C05 | H7 | 0.2° | 0.1° |
| O09 | C08 | N07 | H9 | 179.9° | 175.5° |
| C06 | C15 | C16 | H2 | 180.0° | 179.8° |
| C06 | C15 | C16 | F17 | 180.0° | 180.0° |
| C06 | C15 | C16 | C03 | 0.0° | 0.0° |
| C15 | C06 | C05 | C04 | 0.0° | 0.0° |
| C15 | C06 | C05 | H7 | 180.0° | 180.0° |
| C15 | C06 | N07 | H9 | 2.4° | 35.0° |
| C15 | C16 | F17 | C03 | 180.0° | 180.0° |
| C16 | C15 | C06 | C05 | 0.0° | 0.0° |
| C15 | C16 | C03 | C04 | 0.1° | 0.0° |
| C15 | C16 | C03 | O02 | 179.8° | 180.0° |
| F17 | C16 | C03 | C04 | 180.0° | 180.0° |
| F17 | C16 | C03 | O02 | 0.2° | 0.0° |
| F17 | C16 | C15 | H2 | 0.0° | 0.2° |
| C06 | C05 | C04 | H7 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 0.1° | 0.0° |
| C05 | C06 | C15 | H2 | 180.0° | 179.8° |
| C06 | C05 | C04 | H6 | 179.9° | 180.0° |
| C05 | C06 | N07 | H9 | 177.4° | 144.9° |
| C16 | C03 | O02 | C01 | 74.5° | 180.0° |
| C16 | C03 | C04 | C05 | 0.1° | 0.0° |
| C16 | C03 | C04 | O02 | 179.8° | 180.0° |
| C03 | C16 | C15 | H2 | 179.9° | 179.8° |
| C16 | C03 | C04 | H6 | 179.9° | 180.0° |
| C01 | O02 | C03 | C04 | 105.7° | 0.0° |
| O02 | C01 | H3 | H4 | 120.0° | 120.1° |
| O02 | C01 | H3 | H5 | 120.0° | 120.0° |
| O02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C05 | C04 | C03 | H6 | 180.0° | 180.0° |
| C05 | C04 | C03 | O02 | 179.9° | 180.0° |
| C03 | C04 | C05 | H7 | 180.0° | 180.0° |
| C03 | O02 | C01 | H3 | 180.0° | 60.1° |
| C03 | O02 | C01 | H4 | 60.0° | 60.0° |
| C03 | O02 | C01 | H5 | 60.0° | 180.0° |
| O02 | C03 | C04 | H6 | 0.1° | 0.0° |
| H1 | N12 | C11 | H8 | 0.0° | 0.1° |
| H3 | C01 | H4 | H5 | 120.0° | 120.0° |
| H6 | C04 | C05 | H7 | 0.0° | 0.0° |
