A1CP4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F22 | C21 | sing | 1.35Å | 1.37Å | |
| C21 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | N17 | sing | 1.40Å | 1.46Å | |
| N17 | C02 | sing | 1.35Å | 1.46Å | |
| O01 | C02 | doub | 1.22Å | 1.18Å | |
| C02 | N03 | sing | 1.35Å | 1.45Å | |
| N03 | C04 | sing | 1.46Å | 1.45Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C05 | N06 | sing | 1.46Å | 1.45Å | |
| C07 | N06 | sing | 1.35Å | 1.32Å | Aromatic |
| C07 | C08 | doub | 1.35Å | 1.39Å | Aromatic |
| N06 | N16 | sing | 1.40Å | 1.36Å | Aromatic |
| C08 | C09 | sing | 1.41Å | 1.38Å | Aromatic |
| N16 | C09 | doub | 1.32Å | 1.32Å | Aromatic |
| C09 | C10 | sing | 1.48Å | 1.38Å | |
| C11 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | N15 | sing | 1.33Å | 1.32Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| N15 | C14 | doub | 1.32Å | 1.32Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C24 | H3 | sing | 1.08Å | 1.08Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.08Å | 1.08Å | |
| C08 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| N03 | H15 | sing | 0.97Å | 1.00Å | |
| N17 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F22 | C21 | C20 | 120.0° | 119.9° |
| F22 | C21 | C23 | 120.1° | 120.0° |
| C20 | C21 | C23 | 119.8° | 120.1° |
| C21 | C20 | C19 | 120.1° | 120.0° |
| C21 | C20 | H2 | 119.9° | 120.0° |
| C21 | C23 | C24 | 119.9° | 120.1° |
| C21 | C23 | H14 | 120.0° | 119.9° |
| C20 | C19 | C18 | 120.2° | 119.9° |
| C19 | C20 | H2 | 119.9° | 120.0° |
| C20 | C19 | H13 | 119.9° | 120.0° |
| C23 | C24 | C18 | 120.6° | 119.9° |
| C23 | C24 | H3 | 119.7° | 120.0° |
| C24 | C23 | H14 | 120.0° | 120.0° |
| C19 | C18 | C24 | 119.3° | 120.0° |
| C19 | C18 | N17 | 122.6° | 120.0° |
| C18 | C19 | H13 | 119.9° | 120.1° |
| C24 | C18 | N17 | 118.1° | 120.0° |
| C18 | C24 | H3 | 119.7° | 120.0° |
| C18 | N17 | C02 | 126.4° | 120.0° |
| C18 | N17 | H16 | 116.8° | 120.1° |
| N17 | C02 | O01 | 123.1° | 120.0° |
| N17 | C02 | N03 | 118.2° | 120.1° |
| C02 | N17 | H16 | 116.8° | 119.9° |
| O01 | C02 | N03 | 118.7° | 120.0° |
| C02 | N03 | C04 | 119.8° | 120.1° |
| C02 | N03 | H15 | 120.1° | 120.0° |
| N03 | C04 | C05 | 109.2° | 109.5° |
| N03 | C04 | H4 | 109.6° | 109.4° |
| N03 | C04 | H5 | 109.5° | 109.5° |
| C04 | N03 | H15 | 120.1° | 120.0° |
| C04 | C05 | N06 | 109.9° | 109.5° |
| C05 | C04 | H4 | 109.5° | 109.5° |
| C05 | C04 | H5 | 109.5° | 109.5° |
| C04 | C05 | H6 | 109.4° | 109.5° |
| C04 | C05 | H7 | 109.3° | 109.4° |
| C05 | N06 | C07 | 124.6° | 125.9° |
| C05 | N06 | N16 | 125.6° | 125.9° |
| N06 | C05 | H6 | 109.4° | 109.5° |
| N06 | C05 | H7 | 109.4° | 109.5° |
| N06 | C07 | C08 | 107.0° | 108.0° |
| C07 | N06 | N16 | 109.8° | 108.1° |
| N06 | C07 | H8 | 126.5° | 126.0° |
| C07 | C08 | C09 | 107.0° | 107.9° |
| C08 | C07 | H8 | 126.5° | 126.0° |
| C07 | C08 | H9 | 126.5° | 126.1° |
| N06 | N16 | C09 | 108.3° | 108.1° |
| C08 | C09 | N16 | 107.8° | 107.9° |
| C08 | C09 | C10 | 125.9° | 126.0° |
| C09 | C08 | H9 | 126.5° | 126.1° |
| N16 | C09 | C10 | 126.3° | 126.0° |
| C09 | C10 | C11 | 119.1° | 119.7° |
| C09 | C10 | N15 | 119.1° | 119.7° |
| C10 | C11 | C12 | 118.5° | 119.1° |
| C11 | C10 | N15 | 121.8° | 120.5° |
| C10 | C11 | H10 | 120.8° | 120.5° |
| C11 | C12 | C13 | 118.3° | 118.5° |
| C12 | C11 | H10 | 120.8° | 120.4° |
| C11 | C12 | H11 | 120.8° | 120.8° |
| C10 | N15 | C14 | 121.1° | 121.6° |
| C12 | C13 | C14 | 120.0° | 119.4° |
| C12 | C13 | H1 | 120.0° | 120.3° |
| C13 | C12 | H11 | 120.8° | 120.7° |
| N15 | C14 | C13 | 120.3° | 120.9° |
| N15 | C14 | H12 | 119.8° | 119.6° |
| C14 | C13 | H1 | 120.0° | 120.3° |
| C13 | C14 | H12 | 119.9° | 119.5° |
| H4 | C04 | H5 | 109.5° | 109.4° |
| H6 | C05 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F22 | C21 | C20 | C23 | 180.0° | 180.0° |
| F22 | C21 | C20 | C19 | 179.9° | 180.0° |
| F22 | C21 | C23 | C24 | 180.0° | 180.0° |
| F22 | C21 | C20 | H2 | 0.1° | 0.3° |
| F22 | C21 | C23 | H14 | 0.0° | 0.1° |
| C21 | C20 | C19 | H2 | 180.0° | 179.7° |
| C20 | C21 | C23 | C24 | 0.1° | 0.0° |
| C21 | C20 | C19 | C18 | 0.0° | 0.3° |
| C21 | C20 | C19 | H13 | 180.0° | 179.7° |
| C20 | C21 | C23 | H14 | 179.9° | 179.9° |
| C23 | C21 | C20 | C19 | 0.1° | 0.0° |
| C21 | C23 | C24 | H14 | 180.0° | 179.9° |
| C21 | C23 | C24 | C18 | 0.1° | 0.3° |
| C23 | C21 | C20 | H2 | 179.9° | 179.7° |
| C21 | C23 | C24 | H3 | 179.9° | 179.7° |
| C20 | C19 | C18 | H13 | 180.0° | 180.0° |
| C20 | C19 | C18 | C24 | 0.2° | 0.5° |
| C20 | C19 | C18 | N17 | 179.9° | 179.4° |
| C23 | C24 | C18 | C19 | 0.2° | 0.6° |
| C23 | C24 | C18 | H3 | 180.0° | 179.4° |
| C23 | C24 | C18 | N17 | 179.9° | 179.4° |
| C19 | C18 | C24 | N17 | 179.7° | 179.9° |
| C19 | C18 | N17 | C02 | 4.7° | 144.9° |
| C18 | C19 | C20 | H2 | 180.0° | 180.0° |
| C19 | C18 | C24 | H3 | 179.8° | 180.0° |
| C19 | C18 | N17 | H16 | 175.3° | 35.0° |
| C24 | C18 | N17 | C02 | 175.6° | 35.2° |
| C24 | C18 | C19 | H13 | 179.8° | 179.4° |
| C18 | C24 | C23 | H14 | 179.9° | 179.6° |
| C24 | C18 | N17 | H16 | 4.3° | 145.0° |
| C18 | N17 | C02 | H16 | 180.0° | 179.9° |
| C18 | N17 | C02 | O01 | 0.2° | 4.7° |
| C18 | N17 | C02 | N03 | 179.9° | 175.4° |
| N17 | C18 | C24 | H3 | 0.1° | 0.1° |
| N17 | C18 | C19 | H13 | 0.2° | 0.6° |
| N17 | C02 | O01 | N03 | 179.7° | 179.9° |
| N17 | C02 | N03 | C04 | 179.9° | 179.9° |
| N17 | C02 | N03 | H15 | 0.0° | 0.0° |
| O01 | C02 | N03 | C04 | 0.4° | 0.0° |
| O01 | C02 | N03 | H15 | 179.7° | 179.9° |
| O01 | C02 | N17 | H16 | 179.8° | 175.4° |
| C02 | N03 | C04 | H15 | 180.0° | 179.9° |
| C02 | N03 | C04 | C05 | 106.8° | 180.0° |
| C02 | N03 | C04 | H4 | 133.3° | 60.0° |
| C02 | N03 | C04 | H5 | 13.2° | 60.0° |
| N03 | C02 | N17 | H16 | 0.1° | 4.5° |
| N03 | C04 | C05 | H4 | 120.0° | 120.0° |
| N03 | C04 | C05 | H5 | 119.9° | 120.0° |
| N03 | C04 | C05 | N06 | 161.6° | 180.0° |
| N03 | C04 | H4 | H5 | 120.1° | 120.0° |
| N03 | C04 | C05 | H6 | 78.3° | 60.0° |
| N03 | C04 | C05 | H7 | 41.5° | 60.0° |
| C04 | C05 | N06 | H6 | 120.1° | 120.0° |
| C04 | C05 | N06 | H7 | 120.0° | 120.0° |
| C04 | C05 | N06 | C07 | 61.8° | 125.1° |
| C04 | C05 | N06 | N16 | 118.4° | 55.0° |
| C05 | C04 | H4 | H5 | 120.1° | 120.0° |
| C04 | C05 | H6 | H7 | 119.8° | 119.9° |
| C05 | C04 | N03 | H15 | 73.2° | 0.1° |
| C05 | N06 | C07 | N16 | 179.9° | 179.9° |
| C05 | N06 | C07 | C08 | 180.0° | 180.0° |
| C05 | N06 | N16 | C09 | 179.9° | 179.9° |
| N06 | C05 | C04 | H4 | 41.6° | 60.0° |
| N06 | C05 | C04 | H5 | 78.5° | 60.0° |
| N06 | C05 | H6 | H7 | 119.8° | 120.1° |
| C05 | N06 | C07 | H8 | 0.0° | 0.2° |
| N06 | C07 | C08 | H8 | 180.0° | 179.8° |
| N06 | C07 | C08 | C09 | 0.2° | 0.1° |
| C07 | N06 | N16 | C09 | 0.1° | 0.0° |
| C07 | N06 | C05 | H6 | 178.1° | 5.0° |
| C07 | N06 | C05 | H7 | 58.2° | 115.0° |
| N06 | C07 | C08 | H9 | 179.8° | 179.9° |
| C08 | C07 | N06 | N16 | 0.2° | 0.0° |
| C07 | C08 | C09 | H9 | 180.0° | 180.0° |
| C07 | C08 | C09 | N16 | 0.2° | 0.1° |
| C07 | C08 | C09 | C10 | 180.0° | 179.9° |
| N06 | N16 | C09 | C08 | 0.1° | 0.1° |
| N06 | N16 | C09 | C10 | 179.9° | 179.9° |
| N16 | N06 | C05 | H6 | 1.7° | 175.0° |
| N16 | N06 | C05 | H7 | 121.6° | 64.9° |
| N16 | N06 | C07 | H8 | 179.8° | 179.8° |
| C08 | C09 | N16 | C10 | 179.8° | 179.9° |
| C08 | C09 | C10 | C11 | 146.0° | 179.7° |
| C08 | C09 | C10 | N15 | 33.8° | 0.1° |
| C09 | C08 | C07 | H8 | 179.8° | 179.7° |
| N16 | C09 | C10 | C11 | 33.7° | 0.1° |
| N16 | C09 | C10 | N15 | 146.5° | 179.9° |
| N16 | C09 | C08 | H9 | 179.8° | 179.9° |
| C09 | C10 | C11 | N15 | 179.8° | 179.8° |
| C09 | C10 | C11 | C12 | 180.0° | 179.8° |
| C09 | C10 | N15 | C14 | 179.8° | 180.0° |
| C10 | C09 | C08 | H9 | 0.1° | 0.0° |
| C09 | C10 | C11 | H10 | 0.0° | 0.3° |
| C10 | C11 | C12 | H10 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.3° | 0.0° |
| C11 | C10 | N15 | C14 | 0.0° | 0.2° |
| C10 | C11 | C12 | H11 | 179.7° | 180.0° |
| C12 | C11 | C10 | N15 | 0.2° | 0.0° |
| C11 | C12 | C13 | H11 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.1° | 0.3° |
| C11 | C12 | C13 | H1 | 179.9° | 180.0° |
| C10 | N15 | C14 | C13 | 0.1° | 0.5° |
| N15 | C10 | C11 | H10 | 179.8° | 179.9° |
| C10 | N15 | C14 | H12 | 179.9° | 179.7° |
| C12 | C13 | C14 | N15 | 0.1° | 0.5° |
| C12 | C13 | C14 | H1 | 180.0° | 179.7° |
| C13 | C12 | C11 | H10 | 179.7° | 180.0° |
| C12 | C13 | C14 | H12 | 179.9° | 179.7° |
| N15 | C14 | C13 | H12 | 180.0° | 179.7° |
| N15 | C14 | C13 | H1 | 179.9° | 179.8° |
| C14 | C13 | C12 | H11 | 179.9° | 179.8° |
| H1 | C13 | C12 | H11 | 0.1° | 0.1° |
| H1 | C13 | C14 | H12 | 0.1° | 0.0° |
| H2 | C20 | C19 | H13 | 0.0° | 0.0° |
| H3 | C24 | C23 | H14 | 0.1° | 0.2° |
| H4 | C04 | C05 | H6 | 161.7° | 60.0° |
| H4 | C04 | C05 | H7 | 78.5° | 180.0° |
| H4 | C04 | N03 | H15 | 46.7° | 120.1° |
| H5 | C04 | C05 | H6 | 41.6° | 180.0° |
| H5 | C04 | C05 | H7 | 161.5° | 60.0° |
| H5 | C04 | N03 | H15 | 166.8° | 120.0° |
| H8 | C07 | C08 | H9 | 0.2° | 0.3° |
| H10 | C11 | C12 | H11 | 0.3° | 0.1° |
