A1CP0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | N05 | sing | 1.46Å | 1.45Å | |
| C04 | C02 | sing | 1.51Å | 1.53Å | |
| N05 | C06 | sing | 1.35Å | 1.45Å | |
| C09 | C08 | doub | 1.36Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.42Å | 1.43Å | Aromatic |
| O03 | C02 | doub | 1.21Å | 1.18Å | |
| C06 | C08 | sing | 1.47Å | 1.53Å | |
| C06 | O07 | doub | 1.22Å | 1.18Å | |
| C02 | N01 | sing | 1.35Å | 1.45Å | |
| C11 | C10 | doub | 1.40Å | 1.42Å | Aromatic |
| C11 | C12 | sing | 1.37Å | 1.39Å | Aromatic |
| C08 | N17 | sing | 1.38Å | 1.32Å | Aromatic |
| C10 | C16 | sing | 1.41Å | 1.37Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| N17 | C16 | sing | 1.38Å | 1.36Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.42Å | Aromatic |
| C13 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | CL14 | sing | 1.74Å | 1.79Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C09 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| N01 | H7 | sing | 0.97Å | 1.00Å | |
| N01 | H8 | sing | 0.97Å | 1.00Å | |
| N05 | H9 | sing | 0.97Å | 1.00Å | |
| N17 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N05 | C04 | C02 | 110.5° | 109.5° |
| C04 | N05 | C06 | 118.8° | 120.0° |
| N05 | C04 | H2 | 109.2° | 109.5° |
| N05 | C04 | H3 | 109.2° | 109.5° |
| C04 | N05 | H9 | 120.6° | 120.0° |
| C04 | C02 | O03 | 119.6° | 120.0° |
| C04 | C02 | N01 | 120.4° | 120.0° |
| C02 | C04 | H2 | 109.2° | 109.5° |
| C02 | C04 | H3 | 109.2° | 109.4° |
| N05 | C06 | C08 | 120.9° | 120.0° |
| N05 | C06 | O07 | 119.8° | 120.0° |
| C06 | N05 | H9 | 120.6° | 120.0° |
| C08 | C09 | C10 | 106.1° | 107.8° |
| C09 | C08 | C06 | 126.8° | 125.4° |
| C09 | C08 | N17 | 108.9° | 109.1° |
| C08 | C09 | H4 | 126.9° | 126.1° |
| C09 | C10 | C11 | 134.1° | 133.4° |
| C09 | C10 | C16 | 106.1° | 107.0° |
| C10 | C09 | H4 | 127.0° | 126.1° |
| O03 | C02 | N01 | 120.0° | 120.0° |
| C08 | C06 | O07 | 119.3° | 120.0° |
| C06 | C08 | N17 | 124.3° | 125.4° |
| C02 | N01 | H7 | 120.0° | 120.0° |
| C02 | N01 | H8 | 120.0° | 120.0° |
| C10 | C11 | C12 | 119.7° | 119.8° |
| C11 | C10 | C16 | 119.8° | 119.7° |
| C10 | C11 | H5 | 120.1° | 120.1° |
| C11 | C12 | C13 | 120.1° | 120.6° |
| C12 | C11 | H5 | 120.1° | 120.1° |
| C11 | C12 | H6 | 120.0° | 119.7° |
| C08 | N17 | C16 | 110.0° | 108.8° |
| C08 | N17 | H10 | 125.0° | 125.6° |
| C10 | C16 | N17 | 108.8° | 107.4° |
| C10 | C16 | C15 | 120.5° | 119.4° |
| C12 | C13 | C15 | 120.3° | 120.6° |
| C12 | C13 | CL14 | 120.6° | 119.7° |
| C13 | C12 | H6 | 119.9° | 119.7° |
| N17 | C16 | C15 | 130.7° | 133.2° |
| C16 | N17 | H10 | 125.0° | 125.6° |
| C16 | C15 | C13 | 119.6° | 119.8° |
| C16 | C15 | H1 | 120.2° | 120.1° |
| C15 | C13 | CL14 | 119.1° | 119.7° |
| C13 | C15 | H1 | 120.2° | 120.1° |
| H2 | C04 | H3 | 109.5° | 109.5° |
| H7 | N01 | H8 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N05 | C04 | C02 | H2 | 120.1° | 120.0° |
| N05 | C04 | C02 | H3 | 120.1° | 120.0° |
| C04 | N05 | C06 | H9 | 180.0° | 180.0° |
| N05 | C04 | C02 | O03 | 163.6° | 0.1° |
| C04 | N05 | C06 | C08 | 180.0° | 180.0° |
| C04 | N05 | C06 | O07 | 0.1° | 0.0° |
| N05 | C04 | C02 | N01 | 16.5° | 180.0° |
| N05 | C04 | H2 | H3 | 119.5° | 120.1° |
| C02 | C04 | N05 | C06 | 90.6° | 180.0° |
| C04 | C02 | O03 | N01 | 180.0° | 179.9° |
| C02 | C04 | H2 | H3 | 119.6° | 119.9° |
| C04 | C02 | N01 | H7 | 180.0° | 0.1° |
| C04 | C02 | N01 | H8 | 0.1° | 180.0° |
| C02 | C04 | N05 | H9 | 89.4° | 0.0° |
| N05 | C06 | C08 | C09 | 15.0° | 180.0° |
| N05 | C06 | C08 | O07 | 179.9° | 180.0° |
| N05 | C06 | C08 | N17 | 165.4° | 0.0° |
| C06 | N05 | C04 | H2 | 29.6° | 60.0° |
| C06 | N05 | C04 | H3 | 149.3° | 60.1° |
| C08 | C09 | C10 | H4 | 180.0° | 180.0° |
| C09 | C08 | C06 | N17 | 179.6° | 180.0° |
| C09 | C08 | C06 | O07 | 165.0° | 0.0° |
| C08 | C09 | C10 | C11 | 179.9° | 179.7° |
| C08 | C09 | C10 | C16 | 0.1° | 0.0° |
| C09 | C08 | N17 | C16 | 0.1° | 0.1° |
| C09 | C08 | N17 | H10 | 179.9° | 180.0° |
| C10 | C09 | C08 | C06 | 179.8° | 179.9° |
| C09 | C10 | C11 | C16 | 180.0° | 179.7° |
| C09 | C10 | C11 | C12 | 180.0° | 179.7° |
| C10 | C09 | C08 | N17 | 0.1° | 0.0° |
| C09 | C10 | C16 | N17 | 0.0° | 0.0° |
| C09 | C10 | C16 | C15 | 179.9° | 180.0° |
| C09 | C10 | C11 | H5 | 0.0° | 0.2° |
| O03 | C02 | C04 | H2 | 76.3° | 120.0° |
| O03 | C02 | C04 | H3 | 43.4° | 120.0° |
| O03 | C02 | N01 | H7 | 0.0° | 180.0° |
| O03 | C02 | N01 | H8 | 180.0° | 0.1° |
| C06 | C08 | N17 | C16 | 179.8° | 179.9° |
| C06 | C08 | C09 | H4 | 0.2° | 0.0° |
| C08 | C06 | N05 | H9 | 0.0° | 0.0° |
| C06 | C08 | N17 | H10 | 0.2° | 0.0° |
| O07 | C06 | C08 | N17 | 14.7° | 180.0° |
| O07 | C06 | N05 | H9 | 179.9° | 180.0° |
| N01 | C02 | C04 | H2 | 103.7° | 59.9° |
| N01 | C02 | C04 | H3 | 136.6° | 60.0° |
| C02 | N01 | H7 | H8 | 180.0° | 179.9° |
| C10 | C11 | C12 | H5 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.0° | 0.1° |
| C11 | C10 | C16 | N17 | 179.9° | 179.8° |
| C11 | C10 | C16 | C15 | 0.1° | 0.2° |
| C11 | C10 | C09 | H4 | 0.2° | 0.2° |
| C10 | C11 | C12 | H6 | 180.0° | 180.0° |
| C12 | C11 | C10 | C16 | 0.1° | 0.1° |
| C11 | C12 | C13 | H6 | 180.0° | 179.9° |
| C11 | C12 | C13 | C15 | 0.0° | 0.1° |
| C11 | C12 | C13 | CL14 | 180.0° | 179.8° |
| C08 | N17 | C16 | C10 | 0.1° | 0.0° |
| C08 | N17 | C16 | H10 | 180.0° | 180.0° |
| C08 | N17 | C16 | C15 | 180.0° | 180.0° |
| N17 | C08 | C09 | H4 | 179.8° | 180.0° |
| C10 | C16 | N17 | C15 | 179.9° | 179.9° |
| C10 | C16 | C15 | C13 | 0.1° | 0.5° |
| C10 | C16 | C15 | H1 | 179.9° | 179.6° |
| C16 | C10 | C09 | H4 | 179.9° | 180.0° |
| C16 | C10 | C11 | H5 | 179.9° | 179.9° |
| C10 | C16 | N17 | H10 | 180.0° | 180.0° |
| C12 | C13 | C15 | C16 | 0.1° | 0.4° |
| C12 | C13 | C15 | CL14 | 180.0° | 179.6° |
| C12 | C13 | C15 | H1 | 180.0° | 179.6° |
| C13 | C12 | C11 | H5 | 180.0° | 180.0° |
| N17 | C16 | C15 | C13 | 180.0° | 179.6° |
| N17 | C16 | C15 | H1 | 0.0° | 0.4° |
| C16 | C15 | C13 | H1 | 180.0° | 180.0° |
| C16 | C15 | C13 | CL14 | 179.9° | 179.9° |
| C15 | C16 | N17 | H10 | 0.0° | 0.0° |
| C15 | C13 | C12 | H6 | 180.0° | 179.8° |
| CL14 | C13 | C15 | H1 | 0.1° | 0.0° |
| CL14 | C13 | C12 | H6 | 0.0° | 0.1° |
| H2 | C04 | N05 | H9 | 150.4° | 120.0° |
| H3 | C04 | N05 | H9 | 30.7° | 119.9° |
| H5 | C11 | C12 | H6 | 0.0° | 0.1° |
