A1CPB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.40Å | 1.42Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.46Å | 1.42Å | Aromatic |
| C07 | C12 | doub | 1.41Å | 1.37Å | Aromatic |
| C06 | C05 | doub | 1.36Å | 1.39Å | Aromatic |
| C10 | N11 | doub | 1.32Å | 1.32Å | Aromatic |
| C12 | N11 | sing | 1.33Å | 1.36Å | Aromatic |
| C12 | N13 | sing | 1.37Å | 1.36Å | Aromatic |
| C05 | C04 | sing | 1.48Å | 1.39Å | |
| C05 | N13 | sing | 1.38Å | 1.32Å | Aromatic |
| C14 | C04 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.40Å | 1.38Å | Aromatic |
| C15 | C01 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.08Å | 1.08Å | |
| C02 | H4 | sing | 1.08Å | 1.08Å | |
| C03 | H5 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C08 | H7 | sing | 1.08Å | 1.08Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| N13 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C08 | C07 | 118.4° | 118.0° |
| C08 | C09 | C10 | 119.3° | 119.4° |
| C09 | C08 | H7 | 120.8° | 121.0° |
| C08 | C09 | H8 | 120.3° | 120.3° |
| C08 | C07 | C06 | 134.5° | 134.1° |
| C08 | C07 | C12 | 119.1° | 119.5° |
| C07 | C08 | H7 | 120.8° | 121.0° |
| C09 | C10 | N11 | 121.0° | 121.6° |
| C09 | C10 | H1 | 119.5° | 119.2° |
| C10 | C09 | H8 | 120.4° | 120.3° |
| C06 | C07 | C12 | 106.4° | 106.4° |
| C07 | C06 | C05 | 106.3° | 106.8° |
| C07 | C06 | H6 | 126.9° | 126.6° |
| C07 | C12 | N11 | 121.1° | 119.8° |
| C07 | C12 | N13 | 108.8° | 107.3° |
| C06 | C05 | C04 | 125.2° | 125.2° |
| C06 | C05 | N13 | 108.9° | 109.5° |
| C05 | C06 | H6 | 126.9° | 126.6° |
| C10 | N11 | C12 | 121.1° | 121.7° |
| N11 | C10 | H1 | 119.5° | 119.2° |
| N11 | C12 | N13 | 130.1° | 133.0° |
| C12 | N13 | C05 | 109.7° | 110.0° |
| C12 | N13 | H10 | 125.2° | 125.1° |
| C04 | C05 | N13 | 126.0° | 125.3° |
| C05 | C04 | C14 | 119.8° | 120.2° |
| C05 | C04 | C03 | 120.0° | 120.1° |
| C05 | N13 | H10 | 125.1° | 125.0° |
| C04 | C14 | C15 | 119.9° | 119.9° |
| C14 | C04 | C03 | 120.1° | 119.7° |
| C04 | C14 | H9 | 120.1° | 120.0° |
| C14 | C15 | C01 | 120.1° | 120.1° |
| C14 | C15 | H2 | 119.9° | 119.9° |
| C15 | C14 | H9 | 120.1° | 120.1° |
| C04 | C03 | C02 | 120.0° | 119.9° |
| C04 | C03 | H5 | 120.0° | 120.1° |
| C15 | C01 | C02 | 120.0° | 120.3° |
| C01 | C15 | H2 | 120.0° | 119.9° |
| C15 | C01 | H3 | 120.0° | 119.8° |
| C03 | C02 | C01 | 120.0° | 120.2° |
| C03 | C02 | H4 | 120.0° | 119.9° |
| C02 | C03 | H5 | 120.0° | 120.1° |
| C02 | C01 | H3 | 120.0° | 119.9° |
| C01 | C02 | H4 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C08 | C07 | H7 | 180.0° | 179.9° |
| C08 | C09 | C10 | H8 | 180.0° | 180.0° |
| C09 | C08 | C07 | C06 | 179.9° | 179.7° |
| C09 | C08 | C07 | C12 | 0.0° | 0.2° |
| C08 | C09 | C10 | N11 | 0.1° | 0.0° |
| C08 | C09 | C10 | H1 | 179.9° | 179.7° |
| C07 | C08 | C09 | C10 | 0.0° | 0.0° |
| C08 | C07 | C06 | C12 | 179.9° | 179.9° |
| C08 | C07 | C06 | C05 | 180.0° | 180.0° |
| C08 | C07 | C12 | N11 | 0.1° | 0.4° |
| C08 | C07 | C12 | N13 | 180.0° | 180.0° |
| C08 | C07 | C06 | H6 | 0.0° | 0.1° |
| C07 | C08 | C09 | H8 | 180.0° | 180.0° |
| C09 | C10 | N11 | H1 | 180.0° | 179.7° |
| C09 | C10 | N11 | C12 | 0.1° | 0.3° |
| C10 | C09 | C08 | H7 | 180.0° | 180.0° |
| C07 | C06 | C05 | H6 | 180.0° | 179.9° |
| C06 | C07 | C12 | N11 | 179.9° | 179.5° |
| C06 | C07 | C12 | N13 | 0.1° | 0.0° |
| C07 | C06 | C05 | C04 | 179.9° | 180.0° |
| C07 | C06 | C05 | N13 | 0.0° | 0.1° |
| C06 | C07 | C08 | H7 | 0.1° | 0.2° |
| C12 | C07 | C06 | C05 | 0.0° | 0.0° |
| C07 | C12 | N11 | C10 | 0.1° | 0.5° |
| C07 | C12 | N11 | N13 | 179.9° | 179.4° |
| C07 | C12 | N13 | C05 | 0.1° | 0.0° |
| C12 | C07 | C06 | H6 | 180.0° | 180.0° |
| C12 | C07 | C08 | H7 | 180.0° | 179.8° |
| C07 | C12 | N13 | H10 | 180.0° | 180.0° |
| C06 | C05 | N13 | C12 | 0.0° | 0.1° |
| C06 | C05 | C04 | N13 | 179.8° | 179.9° |
| C06 | C05 | C04 | C14 | 15.3° | 0.2° |
| C06 | C05 | C04 | C03 | 164.7° | 179.9° |
| C06 | C05 | N13 | H10 | 180.0° | 180.0° |
| C10 | N11 | C12 | N13 | 180.0° | 179.8° |
| N11 | C10 | C09 | H8 | 179.9° | 180.0° |
| N11 | C12 | N13 | C05 | 179.9° | 179.5° |
| C12 | N11 | C10 | H1 | 179.9° | 179.9° |
| N11 | C12 | N13 | H10 | 0.1° | 0.6° |
| C12 | N13 | C05 | C04 | 179.8° | 180.0° |
| C12 | N13 | C05 | H10 | 180.0° | 179.9° |
| C05 | C04 | C14 | C03 | 180.0° | 179.7° |
| C05 | C04 | C14 | C15 | 180.0° | 179.7° |
| C05 | C04 | C03 | C02 | 179.9° | 180.0° |
| C05 | C04 | C03 | H5 | 0.1° | 0.1° |
| C04 | C05 | C06 | H6 | 0.1° | 0.0° |
| C05 | C04 | C14 | H9 | 0.0° | 0.3° |
| C04 | C05 | N13 | H10 | 0.2° | 0.1° |
| N13 | C05 | C04 | C14 | 164.8° | 179.7° |
| N13 | C05 | C04 | C03 | 15.1° | 0.0° |
| N13 | C05 | C06 | H6 | 180.0° | 180.0° |
| C04 | C14 | C15 | H9 | 180.0° | 179.4° |
| C04 | C14 | C15 | C01 | 0.0° | 0.6° |
| C14 | C04 | C03 | C02 | 0.1° | 0.3° |
| C04 | C14 | C15 | H2 | 180.0° | 179.7° |
| C14 | C04 | C03 | H5 | 179.9° | 179.8° |
| C15 | C14 | C04 | C03 | 0.1° | 0.6° |
| C14 | C15 | C01 | H2 | 180.0° | 179.7° |
| C14 | C15 | C01 | C02 | 0.0° | 0.3° |
| C14 | C15 | C01 | H3 | 180.0° | 179.8° |
| C04 | C03 | C02 | H5 | 180.0° | 179.9° |
| C04 | C03 | C02 | C01 | 0.1° | 0.0° |
| C04 | C03 | C02 | H4 | 179.9° | 179.9° |
| C03 | C04 | C14 | H9 | 180.0° | 180.0° |
| C15 | C01 | C02 | C03 | 0.1° | 0.0° |
| C15 | C01 | C02 | H3 | 180.0° | 180.0° |
| C15 | C01 | C02 | H4 | 179.9° | 179.9° |
| C01 | C15 | C14 | H9 | 180.0° | 180.0° |
| C03 | C02 | C01 | H4 | 180.0° | 179.9° |
| C03 | C02 | C01 | H3 | 179.9° | 180.0° |
| C02 | C01 | C15 | H2 | 180.0° | 180.0° |
| C01 | C02 | C03 | H5 | 179.9° | 179.9° |
| H1 | C10 | C09 | H8 | 0.0° | 0.3° |
| H2 | C15 | C01 | H3 | 0.0° | 0.1° |
| H2 | C15 | C14 | H9 | 0.0° | 0.3° |
| H3 | C01 | C02 | H4 | 0.1° | 0.0° |
| H4 | C02 | C03 | H5 | 0.1° | 0.0° |
| H7 | C08 | C09 | H8 | 0.0° | 0.1° |
