C6Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| CL1 | C2 | sing | 1.74Å | 1.73Å | |
| C2 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C9 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C16 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | CL7 | sing | 1.74Å | 1.73Å | |
| C10 | N11 | doub | 1.32Å | 1.32Å | Aromatic |
| C15 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| N11 | N12 | sing | 1.28Å | 1.30Å | Aromatic |
| C13 | N12 | doub | 1.33Å | 1.33Å | Aromatic |
| C13 | S14 | sing | 1.76Å | 1.76Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| S14 | H8 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | C2 | 119.5° | 120.0° |
| C3 | C4 | C5 | 120.5° | 120.1° |
| C4 | C3 | H1 | 120.3° | 120.0° |
| C3 | C4 | H2 | 119.8° | 120.0° |
| C3 | C2 | CL1 | 120.2° | 120.0° |
| C3 | C2 | C8 | 120.7° | 120.0° |
| C2 | C3 | H1 | 120.3° | 120.0° |
| C4 | C5 | C9 | 118.2° | 120.0° |
| C4 | C5 | C6 | 119.5° | 120.0° |
| C5 | C4 | H2 | 119.7° | 120.0° |
| CL1 | C2 | C8 | 119.1° | 120.0° |
| C2 | C8 | C6 | 120.1° | 119.9° |
| C2 | C8 | H3 | 120.0° | 120.0° |
| C9 | C5 | C6 | 122.4° | 120.0° |
| C5 | C9 | C10 | 109.8° | 109.5° |
| C5 | C9 | H6 | 109.4° | 109.5° |
| C5 | C9 | H7 | 109.4° | 109.5° |
| C5 | C6 | C8 | 119.8° | 120.0° |
| C5 | C6 | CL7 | 123.6° | 120.0° |
| C9 | C10 | C16 | 120.8° | 120.0° |
| C9 | C10 | N11 | 120.0° | 120.0° |
| C10 | C9 | H6 | 109.4° | 109.5° |
| C10 | C9 | H7 | 109.4° | 109.5° |
| C10 | C16 | C15 | 119.0° | 118.0° |
| C16 | C10 | N11 | 119.2° | 120.0° |
| C10 | C16 | H5 | 120.5° | 121.0° |
| C16 | C15 | C13 | 117.5° | 117.9° |
| C16 | C15 | H4 | 121.2° | 121.1° |
| C15 | C16 | H5 | 120.5° | 121.0° |
| C8 | C6 | CL7 | 116.6° | 120.0° |
| C6 | C8 | H3 | 120.0° | 120.1° |
| C10 | N11 | N12 | 122.4° | 122.3° |
| C15 | C13 | N12 | 119.8° | 119.7° |
| C15 | C13 | S14 | 119.5° | 120.1° |
| C13 | C15 | H4 | 121.3° | 121.0° |
| N11 | N12 | C13 | 122.1° | 122.0° |
| N12 | C13 | S14 | 120.8° | 120.1° |
| C13 | S14 | H8 | 102.0° | 103.0° |
| H6 | C9 | H7 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | C2 | H1 | 180.0° | 180.0° |
| C3 | C4 | C5 | H2 | 180.0° | 180.0° |
| C4 | C3 | C2 | CL1 | 179.5° | 179.7° |
| C4 | C3 | C2 | C8 | 0.4° | 0.0° |
| C3 | C4 | C5 | C9 | 179.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.6° | 0.1° |
| C2 | C3 | C4 | C5 | 0.5° | 0.0° |
| C3 | C2 | CL1 | C8 | 179.2° | 179.6° |
| C3 | C2 | C8 | C6 | 0.2° | 0.1° |
| C2 | C3 | C4 | H2 | 179.5° | 180.0° |
| C3 | C2 | C8 | H3 | 179.8° | 180.0° |
| C4 | C5 | C9 | C6 | 179.6° | 179.9° |
| C4 | C5 | C9 | C10 | 88.3° | 100.0° |
| C4 | C5 | C6 | C8 | 0.4° | 0.1° |
| C4 | C5 | C6 | CL7 | 179.9° | 180.0° |
| C5 | C4 | C3 | H1 | 179.4° | 180.0° |
| C4 | C5 | C9 | H6 | 31.8° | 139.9° |
| C4 | C5 | C9 | H7 | 151.6° | 20.0° |
| CL1 | C2 | C8 | C6 | 179.4° | 179.8° |
| CL1 | C2 | C3 | H1 | 0.4° | 0.3° |
| CL1 | C2 | C8 | H3 | 0.6° | 0.3° |
| C2 | C8 | C6 | C5 | 0.3° | 0.2° |
| C2 | C8 | C6 | H3 | 180.0° | 179.9° |
| C2 | C8 | C6 | CL7 | 179.8° | 179.9° |
| C8 | C2 | C3 | H1 | 179.6° | 180.0° |
| C5 | C9 | C10 | H6 | 120.1° | 120.0° |
| C5 | C9 | C10 | H7 | 120.1° | 120.0° |
| C5 | C9 | C10 | C16 | 66.3° | 125.0° |
| C9 | C5 | C6 | C8 | 179.1° | 179.9° |
| C9 | C5 | C6 | CL7 | 0.3° | 0.0° |
| C5 | C9 | C10 | N11 | 115.2° | 55.0° |
| C9 | C5 | C4 | H2 | 1.0° | 0.0° |
| C5 | C9 | H6 | H7 | 119.8° | 120.0° |
| C6 | C5 | C9 | C10 | 91.3° | 80.1° |
| C5 | C6 | C8 | CL7 | 179.5° | 179.9° |
| C6 | C5 | C4 | H2 | 179.4° | 179.9° |
| C5 | C6 | C8 | H3 | 179.8° | 179.9° |
| C6 | C5 | C9 | H6 | 148.6° | 40.0° |
| C6 | C5 | C9 | H7 | 28.8° | 159.9° |
| C9 | C10 | C16 | N11 | 178.5° | 179.9° |
| C9 | C10 | C16 | C15 | 179.5° | 180.0° |
| C9 | C10 | N11 | N12 | 179.4° | 180.0° |
| C9 | C10 | C16 | H5 | 0.5° | 0.1° |
| C10 | C9 | H6 | H7 | 119.9° | 120.0° |
| C10 | C16 | C15 | H5 | 180.0° | 180.0° |
| C10 | C16 | C15 | C13 | 0.5° | 0.0° |
| C16 | C10 | N11 | N12 | 0.9° | 0.1° |
| C10 | C16 | C15 | H4 | 179.5° | 179.7° |
| C16 | C10 | C9 | H6 | 53.7° | 5.0° |
| C16 | C10 | C9 | H7 | 173.6° | 115.0° |
| C15 | C16 | C10 | N11 | 1.0° | 0.1° |
| C16 | C15 | C13 | H4 | 180.0° | 179.7° |
| C16 | C15 | C13 | N12 | 0.1° | 0.0° |
| C16 | C15 | C13 | S14 | 179.6° | 179.7° |
| CL7 | C6 | C8 | H3 | 0.2° | 0.0° |
| C10 | N11 | N12 | C13 | 0.2° | 0.1° |
| N11 | C10 | C16 | H5 | 179.0° | 180.0° |
| N11 | C10 | C9 | H6 | 124.7° | 175.1° |
| N11 | C10 | C9 | H7 | 4.9° | 65.0° |
| C15 | C13 | N12 | N11 | 0.3° | 0.0° |
| C15 | C13 | N12 | S14 | 179.7° | 179.7° |
| C13 | C15 | C16 | H5 | 179.5° | 180.0° |
| C15 | C13 | S14 | H8 | 179.7° | 90.0° |
| N11 | N12 | C13 | S14 | 179.4° | 179.8° |
| N12 | C13 | C15 | H4 | 179.8° | 179.7° |
| N12 | C13 | S14 | H8 | 0.0° | 90.3° |
| S14 | C13 | C15 | H4 | 0.4° | 0.0° |
| H1 | C3 | C4 | H2 | 0.6° | 0.0° |
| H4 | C15 | C16 | H5 | 0.5° | 0.2° |
