A1CP2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O17 | C16 | doub | 1.22Å | 1.19Å | |
| N12 | C13 | sing | 1.47Å | 1.45Å | |
| N12 | C10 | sing | 1.35Å | 1.45Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.37Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.42Å | 1.43Å | Aromatic |
| C08 | C09 | doub | 1.36Å | 1.39Å | Aromatic |
| C06 | C07 | doub | 1.40Å | 1.42Å | Aromatic |
| C06 | C05 | sing | 1.36Å | 1.40Å | Aromatic |
| C07 | C24 | sing | 1.41Å | 1.37Å | Aromatic |
| C10 | C09 | sing | 1.47Å | 1.52Å | |
| C10 | O11 | doub | 1.22Å | 1.19Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C09 | N23 | sing | 1.38Å | 1.31Å | Aromatic |
| C05 | C04 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C18 | sing | 1.47Å | 1.52Å | |
| C16 | N15 | sing | 1.35Å | 1.45Å | |
| C20 | C21 | doub | 1.35Å | 1.38Å | Aromatic |
| C24 | N23 | sing | 1.37Å | 1.35Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.41Å | Aromatic |
| C18 | O22 | sing | 1.35Å | 1.34Å | Aromatic |
| C04 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | C02 | sing | 1.51Å | 1.52Å | |
| C14 | N15 | sing | 1.47Å | 1.45Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C21 | O22 | sing | 1.34Å | 1.34Å | Aromatic |
| N12 | H1 | sing | 0.97Å | 1.00Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.08Å | 1.08Å | |
| C06 | H14 | sing | 1.08Å | 1.08Å | |
| C08 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| N15 | H20 | sing | 0.97Å | 1.00Å | |
| N23 | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | C16 | C18 | 120.5° | 120.0° |
| O17 | C16 | N15 | 120.9° | 120.0° |
| C13 | N12 | C10 | 117.3° | 120.0° |
| N12 | C13 | C14 | 104.5° | 109.4° |
| C13 | N12 | H1 | 121.4° | 120.0° |
| N12 | C13 | H2 | 110.7° | 109.5° |
| N12 | C13 | H3 | 110.7° | 109.5° |
| N12 | C10 | C09 | 120.6° | 120.0° |
| N12 | C10 | O11 | 120.2° | 120.0° |
| C10 | N12 | H1 | 121.4° | 120.0° |
| C13 | C14 | N15 | 112.7° | 109.4° |
| C14 | C13 | H2 | 110.7° | 109.5° |
| C14 | C13 | H3 | 110.7° | 109.5° |
| C13 | C14 | H16 | 108.7° | 109.5° |
| C13 | C14 | H17 | 108.7° | 109.5° |
| C20 | C19 | C18 | 106.3° | 106.7° |
| C19 | C20 | C21 | 107.4° | 107.1° |
| C19 | C20 | H4 | 126.3° | 126.5° |
| C20 | C19 | H18 | 126.9° | 126.6° |
| C19 | C18 | C16 | 126.0° | 126.0° |
| C19 | C18 | O22 | 109.1° | 108.0° |
| C18 | C19 | H18 | 126.8° | 126.6° |
| C07 | C08 | C09 | 105.4° | 107.7° |
| C08 | C07 | C06 | 134.2° | 133.4° |
| C08 | C07 | C24 | 106.2° | 106.9° |
| C07 | C08 | H15 | 127.3° | 126.1° |
| C08 | C09 | C10 | 127.4° | 125.4° |
| C08 | C09 | N23 | 109.7° | 109.1° |
| C09 | C08 | H15 | 127.3° | 126.2° |
| C07 | C06 | C05 | 119.6° | 119.8° |
| C06 | C07 | C24 | 119.6° | 119.7° |
| C07 | C06 | H14 | 120.2° | 120.1° |
| C06 | C05 | C04 | 119.9° | 120.6° |
| C06 | C05 | H13 | 120.1° | 119.7° |
| C05 | C06 | H14 | 120.2° | 120.1° |
| C07 | C24 | N23 | 109.3° | 107.4° |
| C07 | C24 | C25 | 120.8° | 119.4° |
| C09 | C10 | O11 | 119.2° | 120.0° |
| C10 | C09 | N23 | 122.9° | 125.4° |
| C03 | C02 | C04 | 112.3° | 109.5° |
| C03 | C02 | C01 | 112.8° | 109.5° |
| C03 | C02 | H9 | 107.4° | 109.4° |
| C02 | C03 | H10 | 109.5° | 109.4° |
| C02 | C03 | H11 | 109.5° | 109.5° |
| C02 | C03 | H12 | 109.5° | 109.4° |
| C09 | N23 | C24 | 109.4° | 108.8° |
| C09 | N23 | H21 | 125.3° | 125.5° |
| C05 | C04 | C25 | 120.4° | 120.6° |
| C05 | C04 | C02 | 122.0° | 119.7° |
| C04 | C05 | H13 | 120.0° | 119.7° |
| C18 | C16 | N15 | 118.7° | 120.0° |
| C16 | C18 | O22 | 125.0° | 126.0° |
| C16 | N15 | C14 | 120.3° | 120.0° |
| C16 | N15 | H20 | 119.9° | 120.0° |
| C20 | C21 | O22 | 108.3° | 108.7° |
| C21 | C20 | H4 | 126.3° | 126.4° |
| C20 | C21 | H5 | 125.8° | 125.7° |
| N23 | C24 | C25 | 129.9° | 133.2° |
| C24 | N23 | H21 | 125.3° | 125.7° |
| C24 | C25 | C04 | 119.6° | 119.8° |
| C24 | C25 | H19 | 120.2° | 120.1° |
| C18 | O22 | C21 | 109.0° | 109.4° |
| C25 | C04 | C02 | 117.6° | 119.7° |
| C04 | C25 | H19 | 120.2° | 120.1° |
| C04 | C02 | C01 | 109.1° | 109.5° |
| C04 | C02 | H9 | 107.5° | 109.5° |
| N15 | C14 | H16 | 108.7° | 109.5° |
| N15 | C14 | H17 | 108.7° | 109.5° |
| C14 | N15 | H20 | 119.8° | 120.0° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C01 | C02 | H9 | 107.6° | 109.5° |
| O22 | C21 | H5 | 125.9° | 125.6° |
| H2 | C13 | H3 | 109.4° | 109.5° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H8 | 109.4° | 109.5° |
| H10 | C03 | H11 | 109.4° | 109.5° |
| H10 | C03 | H12 | 109.5° | 109.4° |
| H11 | C03 | H12 | 109.5° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | C16 | C18 | C19 | 25.8° | 0.5° |
| O17 | C16 | C18 | N15 | 179.5° | 180.0° |
| O17 | C16 | C18 | O22 | 153.9° | 180.0° |
| O17 | C16 | N15 | C14 | 0.1° | 0.0° |
| O17 | C16 | N15 | H20 | 179.9° | 180.0° |
| C13 | N12 | C10 | H1 | 180.0° | 179.9° |
| N12 | C13 | C14 | H2 | 119.2° | 120.0° |
| N12 | C13 | C14 | H3 | 119.2° | 120.0° |
| C13 | N12 | C10 | C09 | 178.6° | 180.0° |
| C13 | N12 | C10 | O11 | 0.5° | 0.3° |
| N12 | C13 | C14 | N15 | 173.9° | 180.0° |
| N12 | C13 | H2 | H3 | 122.3° | 120.0° |
| N12 | C13 | C14 | H16 | 65.6° | 60.0° |
| N12 | C13 | C14 | H17 | 53.4° | 60.0° |
| C10 | N12 | C13 | C14 | 92.9° | 180.0° |
| N12 | C10 | C09 | C08 | 3.6° | 179.7° |
| N12 | C10 | C09 | O11 | 179.2° | 179.7° |
| N12 | C10 | C09 | N23 | 177.9° | 0.3° |
| C10 | N12 | C13 | H2 | 26.4° | 60.0° |
| C10 | N12 | C13 | H3 | 147.9° | 60.0° |
| C13 | C14 | N15 | C16 | 71.8° | 180.0° |
| C13 | C14 | N15 | H16 | 120.5° | 120.0° |
| C13 | C14 | N15 | H17 | 120.5° | 120.0° |
| C14 | C13 | N12 | H1 | 87.1° | 0.0° |
| C14 | C13 | H2 | H3 | 122.3° | 120.0° |
| C13 | C14 | H16 | H17 | 118.5° | 120.0° |
| C13 | C14 | N15 | H20 | 108.2° | 0.0° |
| C20 | C19 | C18 | H18 | 180.0° | 179.9° |
| C20 | C19 | C18 | C16 | 179.9° | 179.9° |
| C19 | C20 | C21 | H4 | 180.0° | 179.8° |
| C20 | C19 | C18 | O22 | 0.1° | 0.3° |
| C19 | C20 | C21 | O22 | 0.0° | 0.2° |
| C19 | C20 | C21 | H5 | 180.0° | 179.8° |
| C19 | C18 | C16 | O22 | 179.7° | 179.5° |
| C19 | C18 | C16 | N15 | 154.6° | 179.5° |
| C18 | C19 | C20 | C21 | 0.1° | 0.0° |
| C19 | C18 | O22 | C21 | 0.1° | 0.4° |
| C18 | C19 | C20 | H4 | 180.0° | 179.7° |
| C07 | C08 | C09 | H15 | 180.0° | 179.9° |
| C08 | C07 | C06 | C24 | 179.9° | 179.9° |
| C08 | C07 | C06 | C05 | 180.0° | 179.9° |
| C07 | C08 | C09 | C10 | 179.2° | 180.0° |
| C07 | C08 | C09 | N23 | 0.5° | 0.0° |
| C08 | C07 | C24 | N23 | 0.0° | 0.1° |
| C08 | C07 | C24 | C25 | 180.0° | 179.8° |
| C08 | C07 | C06 | H14 | 0.0° | 0.1° |
| C09 | C08 | C07 | C06 | 179.6° | 180.0° |
| C09 | C08 | C07 | C24 | 0.3° | 0.0° |
| C08 | C09 | C10 | N23 | 178.5° | 180.0° |
| C08 | C09 | C10 | O11 | 175.6° | 0.0° |
| C08 | C09 | N23 | C24 | 0.6° | 0.0° |
| C08 | C09 | N23 | H21 | 179.5° | 179.8° |
| C07 | C06 | C05 | H14 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 0.4° | 0.3° |
| C06 | C07 | C24 | N23 | 180.0° | 180.0° |
| C06 | C07 | C24 | C25 | 0.1° | 0.3° |
| C07 | C06 | C05 | H13 | 179.6° | 180.0° |
| C06 | C07 | C08 | H15 | 0.3° | 0.2° |
| C05 | C06 | C07 | C24 | 0.1° | 0.0° |
| C06 | C05 | C04 | H13 | 180.0° | 179.7° |
| C06 | C05 | C04 | C25 | 0.7° | 0.3° |
| C06 | C05 | C04 | C02 | 179.7° | 179.7° |
| C07 | C24 | N23 | C09 | 0.4° | 0.0° |
| C07 | C24 | N23 | C25 | 179.9° | 179.7° |
| C07 | C24 | C25 | C04 | 0.4° | 0.3° |
| C24 | C07 | C06 | H14 | 179.9° | 180.0° |
| C24 | C07 | C08 | H15 | 179.7° | 179.9° |
| C07 | C24 | C25 | H19 | 179.7° | 179.7° |
| C07 | C24 | N23 | H21 | 179.6° | 179.7° |
| C10 | C09 | N23 | C24 | 179.3° | 180.0° |
| C09 | C10 | N12 | H1 | 1.4° | 0.1° |
| C10 | C09 | C08 | H15 | 0.8° | 0.1° |
| C10 | C09 | N23 | H21 | 0.7° | 0.2° |
| O11 | C10 | C09 | N23 | 3.0° | 180.0° |
| O11 | C10 | N12 | H1 | 179.5° | 179.8° |
| C03 | C02 | C04 | C05 | 49.3° | 60.1° |
| C03 | C02 | C04 | C25 | 131.1° | 120.0° |
| C03 | C02 | C04 | C01 | 125.8° | 120.1° |
| C03 | C02 | C04 | H9 | 117.9° | 119.9° |
| C03 | C02 | C01 | H9 | 118.3° | 120.0° |
| C03 | C02 | C01 | H6 | 180.0° | 60.0° |
| C03 | C02 | C01 | H7 | 60.0° | 179.9° |
| C03 | C02 | C01 | H8 | 60.0° | 60.0° |
| C02 | C03 | H10 | H11 | 120.0° | 120.0° |
| C02 | C03 | H10 | H12 | 120.0° | 119.9° |
| C02 | C03 | H11 | H12 | 120.0° | 120.0° |
| C09 | N23 | C24 | H21 | 180.0° | 179.8° |
| C09 | N23 | C24 | C25 | 179.7° | 179.7° |
| N23 | C09 | C08 | H15 | 179.5° | 179.9° |
| C05 | C04 | C25 | C24 | 0.6° | 0.0° |
| C05 | C04 | C25 | C02 | 179.7° | 180.0° |
| C05 | C04 | C02 | C01 | 76.5° | 60.0° |
| C05 | C04 | C02 | H9 | 167.2° | 180.0° |
| C04 | C05 | C06 | H14 | 179.7° | 179.7° |
| C05 | C04 | C25 | H19 | 179.4° | 179.9° |
| C18 | C16 | N15 | C14 | 179.4° | 180.0° |
| C16 | C18 | O22 | C21 | 179.9° | 180.0° |
| C16 | C18 | C19 | H18 | 0.1° | 0.2° |
| C18 | C16 | N15 | H20 | 0.5° | 0.1° |
| N15 | C16 | C18 | O22 | 25.6° | 0.0° |
| C16 | N15 | C14 | H20 | 180.0° | 179.9° |
| C16 | N15 | C14 | H16 | 48.7° | 60.0° |
| C16 | N15 | C14 | H17 | 167.7° | 60.0° |
| C20 | C21 | O22 | C18 | 0.1° | 0.4° |
| C20 | C21 | O22 | H5 | 180.0° | 180.0° |
| C21 | C20 | C19 | H18 | 180.0° | 180.0° |
| N23 | C24 | C25 | C04 | 179.7° | 179.9° |
| N23 | C24 | C25 | H19 | 0.3° | 0.0° |
| C24 | C25 | C04 | H19 | 180.0° | 179.9° |
| C24 | C25 | C04 | C02 | 179.7° | 180.0° |
| C25 | C24 | N23 | H21 | 0.3° | 0.1° |
| C18 | O22 | C21 | H5 | 179.9° | 179.6° |
| O22 | C18 | C19 | H18 | 179.9° | 179.8° |
| C25 | C04 | C02 | C01 | 103.1° | 120.0° |
| C25 | C04 | C02 | H9 | 13.2° | 0.0° |
| C25 | C04 | C05 | H13 | 179.3° | 180.0° |
| C04 | C02 | C01 | H9 | 116.3° | 120.0° |
| C04 | C02 | C01 | H6 | 54.5° | 180.0° |
| C04 | C02 | C01 | H7 | 65.5° | 60.0° |
| C04 | C02 | C01 | H8 | 174.6° | 60.0° |
| C04 | C02 | C03 | H10 | 180.0° | 60.0° |
| C04 | C02 | C03 | H11 | 60.0° | 59.9° |
| C04 | C02 | C03 | H12 | 60.0° | 180.0° |
| C02 | C04 | C05 | H13 | 0.3° | 0.0° |
| C02 | C04 | C25 | H19 | 0.3° | 0.1° |
| N15 | C14 | C13 | H2 | 54.7° | 60.0° |
| N15 | C14 | C13 | H3 | 66.8° | 60.0° |
| N15 | C14 | H16 | H17 | 118.5° | 120.0° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C01 | C02 | C03 | H10 | 56.3° | 60.0° |
| C01 | C02 | C03 | H11 | 63.7° | 180.0° |
| C01 | C02 | C03 | H12 | 176.3° | 59.9° |
| O22 | C21 | C20 | H4 | 180.0° | 180.0° |
| H1 | N12 | C13 | H2 | 153.7° | 119.9° |
| H1 | N12 | C13 | H3 | 32.1° | 120.0° |
| H2 | C13 | C14 | H16 | 175.2° | 180.0° |
| H2 | C13 | C14 | H17 | 65.8° | 60.0° |
| H3 | C13 | C14 | H16 | 53.6° | 60.0° |
| H3 | C13 | C14 | H17 | 172.6° | 180.0° |
| H4 | C20 | C21 | H5 | 0.0° | 0.0° |
| H4 | C20 | C19 | H18 | 0.0° | 0.2° |
| H6 | C01 | H7 | H8 | 120.0° | 120.0° |
| H6 | C01 | C02 | H9 | 61.7° | 60.0° |
| H7 | C01 | C02 | H9 | 178.2° | 60.0° |
| H8 | C01 | C02 | H9 | 58.3° | 180.0° |
| H9 | C02 | C03 | H10 | 62.1° | 180.0° |
| H9 | C02 | C03 | H11 | 178.0° | 60.0° |
| H9 | C02 | C03 | H12 | 58.0° | 60.1° |
| H10 | C03 | H11 | H12 | 120.0° | 120.0° |
| H13 | C05 | C06 | H14 | 0.4° | 0.0° |
| H16 | C14 | N15 | H20 | 131.3° | 119.9° |
| H17 | C14 | N15 | H20 | 12.3° | 120.0° |
