4Z1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL12 | C11 | sing | 1.74Å | 1.72Å | |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C09 | C08 | doub | 1.39Å | 1.42Å | Aromatic |
| O05 | C04 | doub | 1.21Å | 1.25Å | |
| C13 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| N06 | C04 | sing | 1.35Å | 1.39Å | |
| N06 | N07 | sing | 1.40Å | 1.38Å | |
| C08 | C14 | sing | 1.39Å | 1.43Å | Aromatic |
| C08 | N07 | sing | 1.40Å | 1.41Å | |
| C04 | C02 | sing | 1.50Å | 1.52Å | |
| O01 | C02 | doub | 1.21Å | 1.36Å | |
| C14 | CL15 | sing | 1.74Å | 1.71Å | |
| C02 | O03 | sing | 1.35Å | 1.24Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| O03 | H3 | sing | 0.97Å | 0.95Å | |
| N06 | H4 | sing | 0.97Å | 1.00Å | |
| N07 | H5 | sing | 0.97Å | 1.00Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL12 | C11 | C10 | 119.7° | 119.9° |
| CL12 | C11 | C13 | 120.9° | 119.9° |
| C11 | C10 | C09 | 119.7° | 120.1° |
| C10 | C11 | C13 | 119.3° | 120.1° |
| C11 | C10 | H1 | 120.2° | 119.9° |
| C10 | C09 | C08 | 123.0° | 120.0° |
| C09 | C10 | H1 | 120.1° | 120.0° |
| C10 | C09 | H6 | 118.5° | 120.1° |
| C11 | C13 | C14 | 120.8° | 120.0° |
| C11 | C13 | H2 | 119.6° | 120.0° |
| C09 | C08 | C14 | 115.9° | 119.8° |
| C09 | C08 | N07 | 120.7° | 120.1° |
| C08 | C09 | H6 | 118.5° | 119.9° |
| O05 | C04 | N06 | 119.1° | 120.0° |
| O05 | C04 | C02 | 109.5° | 120.0° |
| C13 | C14 | C08 | 121.2° | 119.9° |
| C13 | C14 | CL15 | 119.7° | 120.0° |
| C14 | C13 | H2 | 119.6° | 120.0° |
| C04 | N06 | N07 | 131.9° | 120.0° |
| N06 | C04 | C02 | 117.6° | 120.0° |
| C04 | N06 | H4 | 114.1° | 120.0° |
| N06 | N07 | C08 | 118.7° | 120.0° |
| N07 | N06 | H4 | 114.0° | 120.0° |
| N06 | N07 | H5 | 107.1° | 120.0° |
| C14 | C08 | N07 | 123.4° | 120.0° |
| C08 | C14 | CL15 | 119.1° | 120.0° |
| C08 | N07 | H5 | 107.1° | 120.0° |
| C04 | C02 | O01 | 113.6° | 120.0° |
| C04 | C02 | O03 | 121.7° | 120.0° |
| O01 | C02 | O03 | 121.9° | 120.0° |
| C02 | O03 | H3 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL12 | C11 | C10 | C13 | 179.4° | 180.0° |
| CL12 | C11 | C10 | C09 | 179.1° | 180.0° |
| CL12 | C11 | C13 | C14 | 179.4° | 180.0° |
| CL12 | C11 | C10 | H1 | 0.9° | 0.3° |
| CL12 | C11 | C13 | H2 | 0.6° | 0.1° |
| C11 | C10 | C09 | H1 | 180.0° | 179.7° |
| C11 | C10 | C09 | C08 | 0.2° | 0.0° |
| C10 | C11 | C13 | C14 | 0.1° | 0.0° |
| C10 | C11 | C13 | H2 | 179.9° | 179.9° |
| C11 | C10 | C09 | H6 | 179.8° | 180.0° |
| C09 | C10 | C11 | C13 | 0.3° | 0.0° |
| C10 | C09 | C08 | H6 | 180.0° | 180.0° |
| C10 | C09 | C08 | C14 | 1.0° | 0.0° |
| C10 | C09 | C08 | N07 | 179.6° | 180.0° |
| C11 | C13 | C14 | H2 | 180.0° | 179.9° |
| C11 | C13 | C14 | C08 | 0.9° | 0.0° |
| C11 | C13 | C14 | CL15 | 179.7° | 180.0° |
| C13 | C11 | C10 | H1 | 179.7° | 179.7° |
| C09 | C08 | C14 | C13 | 1.3° | 0.0° |
| C09 | C08 | N07 | N06 | 32.5° | 0.0° |
| C09 | C08 | C14 | N07 | 178.5° | 180.0° |
| C09 | C08 | C14 | CL15 | 179.9° | 180.0° |
| C08 | C09 | C10 | H1 | 179.8° | 179.7° |
| C09 | C08 | N07 | H5 | 153.9° | 180.0° |
| O05 | C04 | N06 | C02 | 136.1° | 179.9° |
| O05 | C04 | N06 | N07 | 154.0° | 0.1° |
| O05 | C04 | C02 | O01 | 36.2° | 180.0° |
| O05 | C04 | C02 | O03 | 162.3° | 0.1° |
| O05 | C04 | N06 | H4 | 26.0° | 180.0° |
| C13 | C14 | C08 | CL15 | 178.8° | 180.0° |
| C13 | C14 | C08 | N07 | 179.9° | 180.0° |
| C04 | N06 | N07 | H4 | 180.0° | 179.9° |
| C04 | N06 | N07 | C08 | 154.5° | 180.0° |
| N06 | C04 | C02 | O01 | 103.8° | 0.1° |
| N06 | C04 | C02 | O03 | 57.6° | 180.0° |
| C04 | N06 | N07 | H5 | 84.1° | 0.0° |
| N06 | N07 | C08 | C14 | 145.9° | 180.0° |
| N06 | N07 | C08 | H5 | 121.4° | 180.0° |
| N07 | N06 | C04 | C02 | 69.9° | 180.0° |
| C08 | C14 | C13 | H2 | 179.1° | 179.9° |
| C14 | C08 | N07 | H5 | 24.6° | 0.0° |
| C14 | C08 | C09 | H6 | 179.0° | 180.0° |
| N07 | C08 | C14 | CL15 | 1.3° | 0.0° |
| C08 | N07 | N06 | H4 | 25.5° | 0.1° |
| N07 | C08 | C09 | H6 | 0.4° | 0.0° |
| C04 | C02 | O01 | O03 | 161.4° | 179.9° |
| C04 | C02 | O03 | H3 | 159.9° | 180.0° |
| C02 | C04 | N06 | H4 | 110.1° | 0.1° |
| O01 | C02 | O03 | H3 | 0.0° | 0.1° |
| CL15 | C14 | C13 | H2 | 0.3° | 0.1° |
| H1 | C10 | C09 | H6 | 0.2° | 0.3° |
| H4 | N06 | N07 | H5 | 95.9° | 179.9° |
