T1Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C01 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
| CL2 | C03 | sing | 1.74Å | 1.79Å | |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | N07 | sing | 1.40Å | 1.32Å | |
| C06 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | N07 | sing | 1.36Å | 1.32Å | Aromatic |
| C08 | C09 | doub | 1.35Å | 1.38Å | Aromatic |
| N07 | N11 | sing | 1.29Å | 1.36Å | Aromatic |
| O13 | C12 | sing | 1.43Å | 1.40Å | |
| C09 | C12 | sing | 1.51Å | 1.53Å | |
| C09 | N10 | sing | 1.34Å | 1.32Å | Aromatic |
| N11 | N10 | doub | 1.29Å | 1.36Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | CL1 | sing | 1.74Å | 1.78Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C08 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| O13 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 119.8° | 120.1° |
| C02 | C01 | C06 | 120.2° | 120.0° |
| C02 | C01 | H1 | 119.9° | 120.1° |
| C01 | C02 | H2 | 120.1° | 120.0° |
| C02 | C03 | CL2 | 119.9° | 120.0° |
| C02 | C03 | C04 | 120.0° | 120.1° |
| C03 | C02 | H2 | 120.1° | 119.9° |
| C01 | C06 | N07 | 119.4° | 120.0° |
| C01 | C06 | C05 | 120.0° | 119.9° |
| C06 | C01 | H1 | 119.9° | 119.9° |
| CL2 | C03 | C04 | 120.1° | 120.0° |
| C03 | C04 | C05 | 120.2° | 120.1° |
| C03 | C04 | CL1 | 119.8° | 120.0° |
| N07 | C06 | C05 | 120.6° | 120.1° |
| C06 | N07 | C08 | 126.1° | 125.9° |
| C06 | N07 | N11 | 125.8° | 126.0° |
| C06 | C05 | C04 | 119.8° | 119.9° |
| C06 | C05 | H3 | 120.1° | 120.0° |
| N07 | C08 | C09 | 108.0° | 106.1° |
| C08 | N07 | N11 | 108.0° | 108.1° |
| N07 | C08 | H4 | 126.0° | 126.9° |
| C08 | C09 | C12 | 126.3° | 126.8° |
| C08 | C09 | N10 | 108.0° | 106.5° |
| C09 | C08 | H4 | 126.0° | 127.0° |
| N07 | N11 | N10 | 107.7° | 110.2° |
| O13 | C12 | C09 | 108.4° | 109.5° |
| O13 | C12 | H5 | 109.8° | 109.4° |
| O13 | C12 | H6 | 109.7° | 109.4° |
| C12 | O13 | H7 | 109.5° | 114.0° |
| C12 | C09 | N10 | 125.6° | 126.7° |
| C09 | C12 | H5 | 109.8° | 109.5° |
| C09 | C12 | H6 | 109.7° | 109.5° |
| C09 | N10 | N11 | 108.2° | 109.1° |
| C05 | C04 | CL1 | 120.0° | 120.0° |
| C04 | C05 | H3 | 120.1° | 120.1° |
| H5 | C12 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H2 | 180.0° | 179.9° |
| C02 | C01 | C06 | H1 | 180.0° | 179.8° |
| C01 | C02 | C03 | CL2 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.0° | 0.0° |
| C02 | C01 | C06 | N07 | 179.4° | 179.8° |
| C02 | C01 | C06 | C05 | 0.5° | 0.0° |
| C03 | C02 | C01 | C06 | 0.2° | 0.0° |
| C02 | C03 | CL2 | C04 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 0.0° | 0.0° |
| C02 | C03 | C04 | CL1 | 180.0° | 180.0° |
| C03 | C02 | C01 | H1 | 179.8° | 179.7° |
| C01 | C06 | N07 | C05 | 178.9° | 179.8° |
| C01 | C06 | N07 | C08 | 139.6° | 180.0° |
| C01 | C06 | N07 | N11 | 39.0° | 0.0° |
| C01 | C06 | C05 | C04 | 0.5° | 0.0° |
| C06 | C01 | C02 | H2 | 179.8° | 180.0° |
| C01 | C06 | C05 | H3 | 179.5° | 180.0° |
| CL2 | C03 | C04 | C05 | 180.0° | 179.9° |
| CL2 | C03 | C04 | CL1 | 0.0° | 0.0° |
| CL2 | C03 | C02 | H2 | 0.0° | 0.1° |
| C03 | C04 | C05 | C06 | 0.2° | 0.0° |
| C03 | C04 | C05 | CL1 | 180.0° | 180.0° |
| C04 | C03 | C02 | H2 | 179.9° | 180.0° |
| C03 | C04 | C05 | H3 | 179.7° | 180.0° |
| C06 | N07 | C08 | N11 | 178.8° | 180.0° |
| C06 | N07 | C08 | C09 | 179.2° | 179.9° |
| C06 | N07 | N11 | N10 | 179.2° | 180.0° |
| N07 | C06 | C05 | C04 | 179.4° | 179.7° |
| N07 | C06 | C01 | H1 | 0.6° | 0.0° |
| N07 | C06 | C05 | H3 | 0.6° | 0.3° |
| C06 | N07 | C08 | H4 | 0.8° | 0.3° |
| C05 | C06 | N07 | C08 | 39.3° | 0.3° |
| C05 | C06 | N07 | N11 | 142.1° | 179.8° |
| C06 | C05 | C04 | H3 | 180.0° | 180.0° |
| C06 | C05 | C04 | CL1 | 179.8° | 180.0° |
| C05 | C06 | C01 | H1 | 179.6° | 179.8° |
| N07 | C08 | C09 | H4 | 180.0° | 179.7° |
| N07 | C08 | C09 | C12 | 179.7° | 180.0° |
| N07 | C08 | C09 | N10 | 0.2° | 0.1° |
| C08 | N07 | N11 | N10 | 0.4° | 0.0° |
| C09 | C08 | N07 | N11 | 0.4° | 0.1° |
| C08 | C09 | C12 | O13 | 169.8° | 0.1° |
| C08 | C09 | C12 | N10 | 180.0° | 179.9° |
| C08 | C09 | N10 | N11 | 0.0° | 0.1° |
| C08 | C09 | C12 | H5 | 50.0° | 120.0° |
| C08 | C09 | C12 | H6 | 70.4° | 119.9° |
| N07 | N11 | N10 | C09 | 0.3° | 0.0° |
| N11 | N07 | C08 | H4 | 179.6° | 179.7° |
| O13 | C12 | C09 | H5 | 119.8° | 120.0° |
| O13 | C12 | C09 | H6 | 119.8° | 120.0° |
| O13 | C12 | C09 | N10 | 10.2° | 180.0° |
| O13 | C12 | H5 | H6 | 120.5° | 120.0° |
| C12 | C09 | N10 | N11 | 180.0° | 180.0° |
| C12 | C09 | C08 | H4 | 0.3° | 0.3° |
| C09 | C12 | H5 | H6 | 120.5° | 120.0° |
| C09 | C12 | O13 | H7 | 180.0° | 180.0° |
| N10 | C09 | C08 | H4 | 179.8° | 179.7° |
| N10 | C09 | C12 | H5 | 130.1° | 60.1° |
| N10 | C09 | C12 | H6 | 109.6° | 60.0° |
| CL1 | C04 | C05 | H3 | 0.3° | 0.0° |
| H1 | C01 | C02 | H2 | 0.2° | 0.2° |
| H5 | C12 | O13 | H7 | 60.1° | 60.0° |
| H6 | C12 | O13 | H7 | 60.2° | 60.0° |
