ZZ4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C2 | sing | 1.74Å | 1.80Å | |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | CL2 | sing | 1.74Å | 1.79Å | |
| C4 | C6 | doub | 1.40Å | 1.48Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.49Å | Aromatic |
| C7 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| C7 | C9 | doub | 1.41Å | 1.48Å | Aromatic |
| N1 | C8 | doub | 1.32Å | 1.35Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | N4 | sing | 1.36Å | 1.40Å | |
| C10 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| N3 | C8 | sing | 1.33Å | 1.36Å | Aromatic |
| C8 | N2 | sing | 1.38Å | 1.36Å | |
| N4 | N5 | doub | 1.29Å | 1.24Å | |
| N5 | C13 | sing | 1.37Å | 1.40Å | |
| C13 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| N2 | H21N | sing | 0.97Å | 1.00Å | |
| N2 | H22N | sing | 0.97Å | 1.00Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C2 | C1 | 119.5° | 119.8° |
| CL1 | C2 | C3 | 119.6° | 119.9° |
| C1 | C2 | C3 | 120.9° | 120.3° |
| C2 | C1 | C5 | 121.2° | 120.1° |
| C2 | C1 | H1 | 119.4° | 120.0° |
| C2 | C3 | C4 | 120.0° | 120.2° |
| C2 | C3 | H3 | 120.0° | 119.9° |
| C1 | C5 | C6 | 119.9° | 119.9° |
| C5 | C1 | H1 | 119.4° | 119.9° |
| C1 | C5 | H5 | 120.1° | 120.0° |
| C5 | C6 | C4 | 118.9° | 119.7° |
| C5 | C6 | C7 | 120.5° | 120.2° |
| C6 | C5 | H5 | 120.0° | 120.0° |
| C3 | C4 | CL2 | 120.5° | 120.1° |
| C3 | C4 | C6 | 119.0° | 119.8° |
| C4 | C3 | H3 | 120.0° | 119.9° |
| CL2 | C4 | C6 | 120.5° | 120.1° |
| C4 | C6 | C7 | 120.5° | 120.1° |
| C6 | C7 | N1 | 120.8° | 120.7° |
| C6 | C7 | C9 | 120.8° | 120.6° |
| N1 | C7 | C9 | 118.4° | 118.7° |
| C7 | N1 | C8 | 120.3° | 120.8° |
| C7 | C9 | C10 | 118.1° | 118.1° |
| C7 | C9 | N4 | 121.0° | 120.9° |
| N1 | C8 | N3 | 121.8° | 122.1° |
| N1 | C8 | N2 | 119.1° | 118.9° |
| C10 | C9 | N4 | 121.0° | 121.0° |
| C9 | C10 | N3 | 119.5° | 119.1° |
| C9 | C10 | H10 | 120.3° | 120.4° |
| C9 | N4 | N5 | 120.1° | 120.0° |
| C10 | N3 | C8 | 122.0° | 121.2° |
| N3 | C10 | H10 | 120.3° | 120.5° |
| N3 | C8 | N2 | 119.1° | 118.9° |
| C8 | N2 | H21N | 109.5° | 120.0° |
| C8 | N2 | H22N | 109.5° | 120.0° |
| N4 | N5 | C13 | 120.0° | 119.9° |
| N5 | C13 | C14 | 120.0° | 120.1° |
| N5 | C13 | C12 | 120.0° | 120.2° |
| C14 | C13 | C12 | 120.0° | 119.7° |
| C13 | C14 | C15 | 120.0° | 119.8° |
| C13 | C14 | H14 | 120.0° | 120.1° |
| C13 | C12 | C11 | 120.0° | 119.8° |
| C13 | C12 | H12 | 120.0° | 120.1° |
| C14 | C15 | C16 | 120.0° | 120.2° |
| C15 | C14 | H14 | 120.0° | 120.1° |
| C14 | C15 | H15 | 120.0° | 119.9° |
| C15 | C16 | C11 | 120.0° | 120.3° |
| C16 | C15 | H15 | 120.0° | 119.9° |
| C15 | C16 | H16 | 120.0° | 119.9° |
| C16 | C11 | C12 | 120.0° | 120.2° |
| C11 | C16 | H16 | 120.0° | 119.9° |
| C16 | C11 | H11 | 120.0° | 119.9° |
| C11 | C12 | H12 | 120.0° | 120.1° |
| C12 | C11 | H11 | 120.0° | 119.9° |
| H21N | N2 | H22N | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C2 | C1 | C3 | 179.9° | 179.7° |
| CL1 | C2 | C1 | C5 | 180.0° | 180.0° |
| CL1 | C2 | C3 | C4 | 180.0° | 180.0° |
| CL1 | C2 | C1 | H1 | 0.1° | 0.0° |
| CL1 | C2 | C3 | H3 | 0.0° | 0.0° |
| C2 | C1 | C5 | H1 | 180.0° | 180.0° |
| C2 | C1 | C5 | C6 | 0.0° | 0.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.3° |
| C1 | C2 | C3 | H3 | 180.0° | 179.8° |
| C2 | C1 | C5 | H5 | 180.0° | 179.9° |
| C3 | C2 | C1 | C5 | 0.0° | 0.3° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | CL2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C6 | 0.0° | 0.0° |
| C3 | C2 | C1 | H1 | 180.0° | 179.7° |
| C1 | C5 | C6 | H5 | 180.0° | 180.0° |
| C1 | C5 | C6 | C4 | 0.0° | 0.3° |
| C1 | C5 | C6 | C7 | 180.0° | 180.0° |
| C5 | C6 | C4 | C3 | 0.0° | 0.3° |
| C5 | C6 | C4 | CL2 | 180.0° | 179.7° |
| C5 | C6 | C4 | C7 | 179.9° | 179.7° |
| C5 | C6 | C7 | N1 | 114.2° | 131.6° |
| C5 | C6 | C7 | C9 | 65.9° | 48.6° |
| C6 | C5 | C1 | H1 | 180.0° | 180.0° |
| C3 | C4 | CL2 | C6 | 180.0° | 180.0° |
| C3 | C4 | C6 | C7 | 180.0° | 179.9° |
| CL2 | C4 | C6 | C7 | 0.1° | 0.1° |
| CL2 | C4 | C3 | H3 | 0.0° | 0.1° |
| C4 | C6 | C7 | N1 | 65.8° | 48.1° |
| C4 | C6 | C7 | C9 | 114.1° | 131.6° |
| C6 | C4 | C3 | H3 | 180.0° | 179.9° |
| C4 | C6 | C5 | H5 | 180.0° | 179.8° |
| C6 | C7 | N1 | C9 | 179.9° | 179.8° |
| C6 | C7 | N1 | C8 | 180.0° | 180.0° |
| C6 | C7 | C9 | C10 | 180.0° | 180.0° |
| C6 | C7 | C9 | N4 | 0.1° | 0.0° |
| C7 | C6 | C5 | H5 | 0.1° | 0.0° |
| N1 | C7 | C9 | C10 | 0.1° | 0.2° |
| N1 | C7 | C9 | N4 | 180.0° | 179.7° |
| C7 | N1 | C8 | N3 | 0.1° | 0.0° |
| C7 | N1 | C8 | N2 | 180.0° | 180.0° |
| C9 | C7 | N1 | C8 | 0.1° | 0.2° |
| C7 | C9 | C10 | N4 | 179.9° | 180.0° |
| C7 | C9 | C10 | N3 | 0.0° | 0.0° |
| C7 | C9 | N4 | N5 | 138.2° | 174.9° |
| C7 | C9 | C10 | H10 | 180.0° | 179.9° |
| N1 | C8 | N3 | C10 | 0.1° | 0.2° |
| N1 | C8 | N3 | N2 | 179.9° | 180.0° |
| N1 | C8 | N2 | H21N | 163.1° | 0.0° |
| N1 | C8 | N2 | H22N | 43.2° | 180.0° |
| C9 | C10 | N3 | H10 | 180.0° | 179.9° |
| C9 | C10 | N3 | C8 | 0.0° | 0.2° |
| C10 | C9 | N4 | N5 | 41.7° | 5.1° |
| N4 | C9 | C10 | N3 | 180.0° | 180.0° |
| C9 | N4 | N5 | C13 | 180.0° | 175.1° |
| N4 | C9 | C10 | H10 | 0.0° | 0.0° |
| C10 | N3 | C8 | N2 | 180.0° | 179.8° |
| C8 | N3 | C10 | H10 | 179.9° | 179.7° |
| N3 | C8 | N2 | H21N | 16.8° | 180.0° |
| N3 | C8 | N2 | H22N | 136.7° | 0.0° |
| C8 | N2 | H21N | H22N | 120.0° | 180.0° |
| N4 | N5 | C13 | C14 | 13.3° | 174.8° |
| N4 | N5 | C13 | C12 | 166.7° | 5.4° |
| N5 | C13 | C14 | C12 | 179.9° | 179.8° |
| N5 | C13 | C14 | C15 | 180.0° | 180.0° |
| N5 | C13 | C12 | C11 | 180.0° | 179.7° |
| N5 | C13 | C14 | H14 | 0.0° | 0.0° |
| N5 | C13 | C12 | H12 | 0.0° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.1° |
| C14 | C13 | C12 | C11 | 0.1° | 0.5° |
| C14 | C13 | C12 | H12 | 179.9° | 179.8° |
| C13 | C14 | C15 | H15 | 179.9° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.2° |
| C13 | C12 | C11 | C16 | 0.0° | 0.5° |
| C13 | C12 | C11 | H12 | 180.0° | 179.7° |
| C12 | C13 | C14 | H14 | 179.9° | 179.8° |
| C13 | C12 | C11 | H11 | 180.0° | 179.7° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C11 | 0.1° | 0.1° |
| C14 | C15 | C16 | H16 | 180.0° | 180.0° |
| C15 | C16 | C11 | H16 | 180.0° | 179.9° |
| C15 | C16 | C11 | C12 | 0.0° | 0.2° |
| C16 | C15 | C14 | H14 | 179.9° | 179.9° |
| C15 | C16 | C11 | H11 | 180.0° | 180.0° |
| C16 | C11 | C12 | H11 | 180.0° | 179.7° |
| C16 | C11 | C12 | H12 | 180.0° | 179.7° |
| C11 | C16 | C15 | H15 | 179.9° | 180.0° |
| C12 | C11 | C16 | H16 | 180.0° | 179.7° |
| H1 | C1 | C5 | H5 | 0.0° | 0.0° |
| H14 | C14 | C15 | H15 | 0.1° | 0.0° |
| H12 | C12 | C11 | H11 | 0.0° | 0.0° |
| H15 | C15 | C16 | H16 | 0.0° | 0.1° |
| H16 | C16 | C11 | H11 | 0.0° | 0.0° |
