A1CXI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL5 | C12 | sing | 1.74Å | 1.78Å | |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | CL4 | sing | 1.74Å | 1.78Å | |
| C13 | C08 | doub | 1.39Å | 1.38Å | Aromatic |
| C09 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | CL6 | sing | 1.74Å | 1.78Å | |
| C08 | C04 | sing | 1.48Å | 1.53Å | |
| C05 | C04 | doub | 1.39Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.38Å | Aromatic |
| CL7 | C06 | sing | 1.74Å | 1.78Å | |
| C06 | C01 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | CL8 | sing | 1.74Å | 1.78Å | |
| C03 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.38Å | Aromatic |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL5 | C12 | C11 | 119.8° | 119.9° |
| CL5 | C12 | C13 | 119.9° | 119.9° |
| C12 | C11 | C10 | 119.8° | 120.3° |
| C11 | C12 | C13 | 120.3° | 120.1° |
| C12 | C11 | H111 | 120.1° | 119.9° |
| C11 | C10 | C09 | 120.0° | 120.1° |
| C11 | C10 | H101 | 120.0° | 119.9° |
| C10 | C11 | H111 | 120.1° | 119.8° |
| C12 | C13 | CL4 | 120.0° | 120.1° |
| C12 | C13 | C08 | 119.8° | 119.8° |
| C10 | C09 | C08 | 120.1° | 119.9° |
| C10 | C09 | CL6 | 119.9° | 120.0° |
| C09 | C10 | H101 | 120.0° | 120.0° |
| CL4 | C13 | C08 | 120.2° | 120.1° |
| C13 | C08 | C09 | 119.9° | 119.7° |
| C13 | C08 | C04 | 120.2° | 120.1° |
| C08 | C09 | CL6 | 120.0° | 120.0° |
| C09 | C08 | C04 | 119.9° | 120.2° |
| C08 | C04 | C05 | 119.1° | 120.1° |
| C08 | C04 | C03 | 121.0° | 120.1° |
| C04 | C05 | C06 | 120.2° | 119.8° |
| C05 | C04 | C03 | 119.9° | 119.8° |
| C04 | C05 | H051 | 119.9° | 120.1° |
| C05 | C06 | CL7 | 119.8° | 119.9° |
| C05 | C06 | C01 | 119.9° | 120.2° |
| C06 | C05 | H051 | 119.9° | 120.1° |
| C04 | C03 | CL8 | 120.1° | 120.1° |
| C04 | C03 | C02 | 120.0° | 119.9° |
| CL7 | C06 | C01 | 120.4° | 120.0° |
| C06 | C01 | C02 | 120.0° | 120.3° |
| C06 | C01 | H011 | 120.0° | 119.9° |
| CL8 | C03 | C02 | 119.9° | 120.0° |
| C03 | C02 | C01 | 120.0° | 120.1° |
| C03 | C02 | H021 | 120.0° | 119.9° |
| C02 | C01 | H011 | 120.0° | 119.8° |
| C01 | C02 | H021 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL5 | C12 | C11 | C13 | 180.0° | 179.8° |
| CL5 | C12 | C11 | C10 | 180.0° | 180.0° |
| CL5 | C12 | C13 | CL4 | 0.1° | 0.2° |
| CL5 | C12 | C13 | C08 | 179.9° | 179.7° |
| CL5 | C12 | C11 | H111 | 0.0° | 0.2° |
| C12 | C11 | C10 | H111 | 180.0° | 179.7° |
| C12 | C11 | C10 | C09 | 0.0° | 0.0° |
| C11 | C12 | C13 | CL4 | 179.9° | 180.0° |
| C11 | C12 | C13 | C08 | 0.1° | 0.5° |
| C12 | C11 | C10 | H101 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.2° |
| C11 | C10 | C09 | H101 | 180.0° | 180.0° |
| C11 | C10 | C09 | C08 | 0.2° | 0.0° |
| C11 | C10 | C09 | CL6 | 180.0° | 179.9° |
| C12 | C13 | CL4 | C08 | 179.8° | 179.4° |
| C12 | C13 | C08 | C09 | 0.3° | 0.6° |
| C12 | C13 | C08 | C04 | 179.7° | 179.7° |
| C13 | C12 | C11 | H111 | 179.9° | 180.0° |
| C10 | C09 | C08 | C13 | 0.4° | 0.3° |
| C10 | C09 | C08 | CL6 | 179.8° | 179.9° |
| C10 | C09 | C08 | C04 | 179.7° | 180.0° |
| C09 | C10 | C11 | H111 | 180.0° | 179.7° |
| CL4 | C13 | C08 | C09 | 179.9° | 180.0° |
| CL4 | C13 | C08 | C04 | 0.5° | 0.3° |
| C13 | C08 | C09 | C04 | 179.4° | 179.7° |
| C13 | C08 | C09 | CL6 | 179.9° | 179.8° |
| C13 | C08 | C04 | C05 | 89.0° | 90.3° |
| C13 | C08 | C04 | C03 | 91.1° | 89.8° |
| C09 | C08 | C04 | C05 | 90.4° | 90.0° |
| C09 | C08 | C04 | C03 | 89.5° | 90.0° |
| C08 | C09 | C10 | H101 | 179.8° | 180.0° |
| CL6 | C09 | C08 | C04 | 0.5° | 0.0° |
| CL6 | C09 | C10 | H101 | 0.0° | 0.0° |
| C08 | C04 | C05 | C03 | 179.9° | 179.9° |
| C08 | C04 | C05 | C06 | 179.8° | 179.8° |
| C08 | C04 | C03 | CL8 | 0.1° | 0.1° |
| C08 | C04 | C03 | C02 | 179.8° | 180.0° |
| C08 | C04 | C05 | H051 | 0.2° | 0.0° |
| C04 | C05 | C06 | H051 | 180.0° | 179.7° |
| C04 | C05 | C06 | CL7 | 179.9° | 180.0° |
| C04 | C05 | C06 | C01 | 0.1° | 0.6° |
| C05 | C04 | C03 | CL8 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 0.1° | 0.0° |
| C06 | C05 | C04 | C03 | 0.1° | 0.3° |
| C05 | C06 | CL7 | C01 | 179.9° | 179.4° |
| C05 | C06 | C01 | C02 | 0.0° | 0.6° |
| C05 | C06 | C01 | H011 | 180.0° | 179.7° |
| C04 | C03 | CL8 | C02 | 179.9° | 180.0° |
| C04 | C03 | C02 | C01 | 0.1° | 0.1° |
| C04 | C03 | C02 | H021 | 179.9° | 179.9° |
| C03 | C04 | C05 | H051 | 179.9° | 180.0° |
| CL7 | C06 | C01 | C02 | 179.9° | 180.0° |
| CL7 | C06 | C01 | H011 | 0.1° | 0.3° |
| CL7 | C06 | C05 | H051 | 0.1° | 0.3° |
| C06 | C01 | C02 | C03 | 0.0° | 0.3° |
| C06 | C01 | C02 | H011 | 180.0° | 179.7° |
| C06 | C01 | C02 | H021 | 180.0° | 179.8° |
| C01 | C06 | C05 | H051 | 179.9° | 179.7° |
| CL8 | C03 | C02 | C01 | 180.0° | 180.0° |
| CL8 | C03 | C02 | H021 | 0.0° | 0.1° |
| C03 | C02 | C01 | H021 | 180.0° | 179.9° |
| C03 | C02 | C01 | H011 | 179.9° | 180.0° |
| H011 | C01 | C02 | H021 | 0.0° | 0.1° |
| H101 | C10 | C11 | H111 | 0.0° | 0.3° |
