A1CP7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL11 | C10 | sing | 1.74Å | 1.78Å | |
| C10 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C09 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | N13 | sing | 1.32Å | 1.32Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| N13 | C07 | doub | 1.32Å | 1.32Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.38Å | Aromatic |
| C07 | S06 | sing | 1.76Å | 1.82Å | |
| S06 | C05 | sing | 1.81Å | 1.82Å | |
| O04 | C03 | sing | 1.43Å | 1.40Å | |
| C03 | C05 | sing | 1.53Å | 1.53Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | O01 | sing | 1.43Å | 1.40Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| O01 | H9 | sing | 0.97Å | 0.95Å | |
| O04 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL11 | C10 | C12 | 119.3° | 120.3° |
| CL11 | C10 | C09 | 120.5° | 120.3° |
| C12 | C10 | C09 | 120.2° | 119.4° |
| C10 | C12 | N13 | 120.6° | 120.8° |
| C10 | C12 | H8 | 119.7° | 119.6° |
| C10 | C09 | C08 | 117.1° | 118.5° |
| C10 | C09 | H7 | 121.4° | 120.8° |
| C12 | N13 | C07 | 121.4° | 121.7° |
| N13 | C12 | H8 | 119.7° | 119.6° |
| C09 | C08 | C07 | 120.1° | 119.1° |
| C09 | C08 | H6 | 120.0° | 120.5° |
| C08 | C09 | H7 | 121.4° | 120.7° |
| N13 | C07 | C08 | 120.6° | 120.6° |
| N13 | C07 | S06 | 119.3° | 119.7° |
| C08 | C07 | S06 | 120.1° | 119.7° |
| C07 | C08 | H6 | 119.9° | 120.4° |
| C07 | S06 | C05 | 110.4° | 103.0° |
| S06 | C05 | C03 | 109.2° | 109.5° |
| S06 | C05 | H4 | 109.5° | 109.5° |
| S06 | C05 | H5 | 109.5° | 109.5° |
| O04 | C03 | C05 | 107.7° | 109.5° |
| O04 | C03 | C02 | 108.4° | 109.5° |
| O04 | C03 | H3 | 110.5° | 109.5° |
| C03 | O04 | H10 | 109.5° | 114.1° |
| C05 | C03 | C02 | 112.8° | 109.5° |
| C05 | C03 | H3 | 108.8° | 109.4° |
| C03 | C05 | H4 | 109.6° | 109.5° |
| C03 | C05 | H5 | 109.5° | 109.4° |
| C03 | C02 | O01 | 107.8° | 109.4° |
| C03 | C02 | H1 | 109.9° | 109.5° |
| C03 | C02 | H2 | 109.9° | 109.5° |
| C02 | C03 | H3 | 108.7° | 109.5° |
| O01 | C02 | H1 | 109.9° | 109.5° |
| O01 | C02 | H2 | 109.9° | 109.4° |
| C02 | O01 | H9 | 109.5° | 114.0° |
| H1 | C02 | H2 | 109.5° | 109.5° |
| H4 | C05 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL11 | C10 | C12 | C09 | 179.8° | 179.8° |
| CL11 | C10 | C12 | N13 | 180.0° | 179.7° |
| CL11 | C10 | C09 | C08 | 179.9° | 179.7° |
| CL11 | C10 | C09 | H7 | 0.1° | 0.3° |
| CL11 | C10 | C12 | H8 | 0.1° | 0.2° |
| C10 | C12 | N13 | H8 | 180.0° | 179.9° |
| C12 | C10 | C09 | C08 | 0.3° | 0.0° |
| C10 | C12 | N13 | C07 | 0.2° | 0.0° |
| C12 | C10 | C09 | H7 | 179.7° | 180.0° |
| C09 | C10 | C12 | N13 | 0.2° | 0.1° |
| C10 | C09 | C08 | H7 | 180.0° | 180.0° |
| C10 | C09 | C08 | C07 | 0.2° | 0.0° |
| C10 | C09 | C08 | H6 | 179.7° | 180.0° |
| C09 | C10 | C12 | H8 | 179.7° | 180.0° |
| C12 | N13 | C07 | C08 | 0.2° | 0.0° |
| C12 | N13 | C07 | S06 | 180.0° | 180.0° |
| C09 | C08 | C07 | N13 | 0.2° | 0.0° |
| C09 | C08 | C07 | H6 | 180.0° | 180.0° |
| C09 | C08 | C07 | S06 | 179.9° | 180.0° |
| N13 | C07 | C08 | S06 | 179.9° | 180.0° |
| N13 | C07 | S06 | C05 | 135.5° | 0.0° |
| N13 | C07 | C08 | H6 | 179.8° | 180.0° |
| C07 | N13 | C12 | H8 | 179.8° | 180.0° |
| C08 | C07 | S06 | C05 | 44.6° | 180.0° |
| C07 | C08 | C09 | H7 | 179.8° | 180.0° |
| C07 | S06 | C05 | C03 | 128.8° | 180.0° |
| C07 | S06 | C05 | H4 | 8.8° | 60.0° |
| C07 | S06 | C05 | H5 | 111.2° | 60.0° |
| S06 | C07 | C08 | H6 | 0.1° | 0.0° |
| S06 | C05 | C03 | O04 | 84.2° | 65.0° |
| S06 | C05 | C03 | H4 | 119.9° | 120.0° |
| S06 | C05 | C03 | H5 | 120.0° | 120.0° |
| S06 | C05 | C03 | C02 | 156.2° | 175.0° |
| S06 | C05 | C03 | H3 | 35.6° | 55.0° |
| S06 | C05 | H4 | H5 | 120.1° | 120.0° |
| O04 | C03 | C05 | C02 | 119.6° | 120.0° |
| O04 | C03 | C05 | H3 | 119.8° | 120.0° |
| O04 | C03 | C02 | H3 | 120.1° | 120.0° |
| O04 | C03 | C02 | O01 | 174.9° | 65.0° |
| O04 | C03 | C02 | H1 | 65.4° | 55.0° |
| O04 | C03 | C02 | H2 | 55.2° | 175.0° |
| O04 | C03 | C05 | H4 | 35.7° | 175.0° |
| O04 | C03 | C05 | H5 | 155.8° | 55.0° |
| C05 | C03 | C02 | H3 | 120.7° | 120.0° |
| C05 | C03 | C02 | O01 | 55.8° | 175.0° |
| C05 | C03 | C02 | H1 | 175.5° | 65.0° |
| C05 | C03 | C02 | H2 | 64.0° | 55.0° |
| C03 | C05 | H4 | H5 | 120.1° | 120.0° |
| C05 | C03 | O04 | H10 | 180.0° | 60.0° |
| C03 | C02 | O01 | H1 | 119.7° | 120.0° |
| C03 | C02 | O01 | H2 | 119.8° | 119.9° |
| C03 | C02 | H1 | H2 | 120.8° | 120.0° |
| C02 | C03 | C05 | H4 | 83.8° | 55.0° |
| C02 | C03 | C05 | H5 | 36.3° | 65.0° |
| C03 | C02 | O01 | H9 | 180.0° | 180.0° |
| C02 | C03 | O04 | H10 | 57.7° | 60.0° |
| O01 | C02 | H1 | H2 | 120.8° | 120.0° |
| O01 | C02 | C03 | H3 | 64.9° | 55.0° |
| H1 | C02 | C03 | H3 | 54.8° | 175.0° |
| H1 | C02 | O01 | H9 | 60.3° | 60.0° |
| H2 | C02 | C03 | H3 | 175.3° | 64.9° |
| H2 | C02 | O01 | H9 | 60.3° | 60.1° |
| H3 | C03 | C05 | H4 | 155.5° | 65.0° |
| H3 | C03 | C05 | H5 | 84.4° | 175.0° |
| H3 | C03 | O04 | H10 | 61.3° | 180.0° |
| H6 | C08 | C09 | H7 | 0.3° | 0.0° |
