A1CP5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S11 | C10 | sing | 1.77Å | 1.75Å | |
| S11 | C02 | sing | 1.77Å | 1.72Å | |
| C09 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C04 | sing | 1.40Å | 1.38Å | Aromatic |
| O01 | C02 | doub | 1.22Å | 1.19Å | |
| C02 | N03 | sing | 1.34Å | 1.30Å | |
| C08 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C04 | N03 | sing | 1.38Å | 1.36Å | |
| C04 | C05 | doub | 1.40Å | 1.42Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | CL07 | sing | 1.74Å | 1.78Å | |
| C05 | H1 | sing | 1.08Å | 1.08Å | |
| C08 | H2 | sing | 1.08Å | 1.08Å | |
| C09 | H3 | sing | 1.08Å | 1.08Å | |
| N03 | H4 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | S11 | C02 | 95.0° | 94.7° |
| S11 | C10 | C09 | 136.1° | 132.4° |
| S11 | C10 | C04 | 104.2° | 106.0° |
| S11 | C02 | O01 | 126.5° | 126.9° |
| S11 | C02 | N03 | 107.4° | 106.1° |
| C10 | C09 | C08 | 120.2° | 119.9° |
| C09 | C10 | C04 | 119.8° | 121.6° |
| C10 | C09 | H3 | 119.9° | 120.1° |
| C09 | C08 | C06 | 119.9° | 119.4° |
| C09 | C08 | H2 | 120.0° | 120.2° |
| C08 | C09 | H3 | 119.9° | 120.0° |
| C10 | C04 | N03 | 115.9° | 114.5° |
| C10 | C04 | C05 | 120.1° | 117.5° |
| O01 | C02 | N03 | 126.1° | 126.9° |
| C02 | N03 | C04 | 117.5° | 118.6° |
| C02 | N03 | H4 | 121.2° | 120.7° |
| C08 | C06 | C05 | 120.0° | 120.8° |
| C08 | C06 | CL07 | 119.9° | 119.6° |
| C06 | C08 | H2 | 120.1° | 120.3° |
| N03 | C04 | C05 | 124.0° | 128.0° |
| C04 | N03 | H4 | 121.2° | 120.7° |
| C04 | C05 | C06 | 120.0° | 120.7° |
| C04 | C05 | H1 | 120.0° | 119.6° |
| C05 | C06 | CL07 | 120.1° | 119.6° |
| C06 | C05 | H1 | 120.0° | 119.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S11 | C10 | C09 | C04 | 180.0° | 179.6° |
| S11 | C10 | C09 | C08 | 180.0° | 179.7° |
| C10 | S11 | C02 | O01 | 180.0° | 179.9° |
| C10 | S11 | C02 | N03 | 0.0° | 0.2° |
| S11 | C10 | C04 | N03 | 0.0° | 0.3° |
| S11 | C10 | C04 | C05 | 180.0° | 179.8° |
| S11 | C10 | C09 | H3 | 0.0° | 0.3° |
| C02 | S11 | C10 | C09 | 180.0° | 180.0° |
| C02 | S11 | C10 | C04 | 0.0° | 0.3° |
| S11 | C02 | O01 | N03 | 179.9° | 179.8° |
| S11 | C02 | N03 | C04 | 0.0° | 0.1° |
| S11 | C02 | N03 | H4 | 179.9° | 180.0° |
| C10 | C09 | C08 | H3 | 180.0° | 180.0° |
| C10 | C09 | C08 | C06 | 0.0° | 0.0° |
| C09 | C10 | C04 | N03 | 180.0° | 180.0° |
| C09 | C10 | C04 | C05 | 0.0° | 0.0° |
| C10 | C09 | C08 | H2 | 180.0° | 180.0° |
| C08 | C09 | C10 | C04 | 0.0° | 0.0° |
| C09 | C08 | C06 | H2 | 180.0° | 180.0° |
| C09 | C08 | C06 | C05 | 0.1° | 0.0° |
| C09 | C08 | C06 | CL07 | 180.0° | 179.9° |
| C10 | C04 | N03 | C02 | 0.0° | 0.1° |
| C10 | C04 | N03 | C05 | 180.0° | 180.0° |
| C10 | C04 | C05 | C06 | 0.1° | 0.0° |
| C10 | C04 | C05 | H1 | 180.0° | 180.0° |
| C04 | C10 | C09 | H3 | 180.0° | 180.0° |
| C10 | C04 | N03 | H4 | 179.9° | 179.8° |
| O01 | C02 | N03 | C04 | 180.0° | 180.0° |
| O01 | C02 | N03 | H4 | 0.0° | 0.1° |
| C02 | N03 | C04 | H4 | 180.0° | 179.9° |
| C02 | N03 | C04 | C05 | 179.9° | 179.9° |
| C08 | C06 | C05 | C04 | 0.1° | 0.0° |
| C08 | C06 | C05 | CL07 | 179.9° | 179.9° |
| C08 | C06 | C05 | H1 | 179.9° | 180.0° |
| C06 | C08 | C09 | H3 | 180.0° | 180.0° |
| N03 | C04 | C05 | C06 | 180.0° | 180.0° |
| N03 | C04 | C05 | H1 | 0.0° | 0.0° |
| C04 | C05 | C06 | H1 | 180.0° | 180.0° |
| C04 | C05 | C06 | CL07 | 180.0° | 179.9° |
| C05 | C04 | N03 | H4 | 0.1° | 0.2° |
| C05 | C06 | C08 | H2 | 179.9° | 180.0° |
| CL07 | C06 | C05 | H1 | 0.0° | 0.1° |
| CL07 | C06 | C08 | H2 | 0.0° | 0.1° |
| H2 | C08 | C09 | H3 | 0.0° | 0.0° |
