X7C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S14 | C15 | sing | 1.76Å | 1.74Å | Aromatic |
| S14 | C13 | sing | 1.71Å | 1.71Å | Aromatic |
| C16 | C15 | doub | 1.40Å | 1.37Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.36Å | Aromatic |
| C15 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| CL18 | C17 | sing | 1.74Å | 1.72Å | |
| C13 | N12 | doub | 1.28Å | 1.27Å | Aromatic |
| C17 | C9 | doub | 1.40Å | 1.42Å | Aromatic |
| C11 | N12 | sing | 1.35Å | 1.33Å | Aromatic |
| C11 | N10 | doub | 1.34Å | 1.32Å | Aromatic |
| C9 | N10 | sing | 1.32Å | 1.32Å | Aromatic |
| C9 | C8 | sing | 1.48Å | 1.49Å | |
| F1 | C2 | sing | 1.35Å | 1.34Å | |
| C8 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C8 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| F7 | C6 | sing | 1.35Å | 1.32Å | |
| C6 | C5 | doub | 1.38Å | 1.35Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.36Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | S14 | C13 | 88.9° | 90.8° |
| S14 | C15 | C16 | 130.0° | 131.8° |
| S14 | C15 | C11 | 109.0° | 108.1° |
| S14 | C13 | N12 | 114.1° | 111.5° |
| S14 | C13 | H3 | 123.0° | 124.3° |
| C15 | C16 | C17 | 118.3° | 118.5° |
| C16 | C15 | C11 | 120.9° | 120.1° |
| C15 | C16 | H4 | 120.8° | 120.7° |
| C16 | C17 | CL18 | 113.3° | 120.5° |
| C16 | C17 | C9 | 119.8° | 119.0° |
| C17 | C16 | H4 | 120.8° | 120.7° |
| C15 | C11 | N12 | 112.7° | 111.7° |
| C15 | C11 | N10 | 119.1° | 119.1° |
| CL18 | C17 | C9 | 126.8° | 120.5° |
| C13 | N12 | C11 | 115.3° | 117.9° |
| N12 | C13 | H3 | 123.0° | 124.3° |
| C17 | C9 | N10 | 119.7° | 121.2° |
| C17 | C9 | C8 | 127.1° | 119.4° |
| N12 | C11 | N10 | 128.2° | 129.3° |
| C11 | N10 | C9 | 122.1° | 122.1° |
| N10 | C9 | C8 | 113.1° | 119.4° |
| C9 | C8 | C2 | 120.9° | 120.2° |
| C9 | C8 | C6 | 120.9° | 120.2° |
| F1 | C2 | C8 | 122.2° | 120.0° |
| F1 | C2 | C3 | 117.7° | 120.1° |
| C2 | C8 | C6 | 118.0° | 119.6° |
| C8 | C2 | C3 | 120.2° | 119.9° |
| C8 | C6 | F7 | 121.0° | 120.0° |
| C8 | C6 | C5 | 122.1° | 119.9° |
| C2 | C3 | C4 | 119.7° | 120.1° |
| C2 | C3 | H5 | 120.1° | 119.9° |
| F7 | C6 | C5 | 116.9° | 120.1° |
| C6 | C5 | C4 | 119.4° | 120.1° |
| C6 | C5 | H2 | 120.3° | 120.0° |
| C3 | C4 | C5 | 120.6° | 120.3° |
| C3 | C4 | H1 | 119.7° | 119.9° |
| C4 | C3 | H5 | 120.1° | 119.9° |
| C5 | C4 | H1 | 119.7° | 119.8° |
| C4 | C5 | H2 | 120.3° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S14 | C15 | C16 | C11 | 180.0° | 179.4° |
| S14 | C15 | C16 | C17 | 179.8° | 179.9° |
| C15 | S14 | C13 | N12 | 0.5° | 0.0° |
| S14 | C15 | C11 | N12 | 0.1° | 0.1° |
| S14 | C15 | C11 | N10 | 179.9° | 180.0° |
| C15 | S14 | C13 | H3 | 179.5° | 180.0° |
| S14 | C15 | C16 | H4 | 0.2° | 0.6° |
| C13 | S14 | C15 | C16 | 179.8° | 179.4° |
| C13 | S14 | C15 | C11 | 0.2° | 0.1° |
| S14 | C13 | N12 | H3 | 180.0° | 180.0° |
| S14 | C13 | N12 | C11 | 0.7° | 0.0° |
| C15 | C16 | C17 | H4 | 180.0° | 179.2° |
| C15 | C16 | C17 | CL18 | 179.2° | 179.5° |
| C15 | C16 | C17 | C9 | 1.3° | 0.5° |
| C16 | C15 | C11 | N12 | 179.9° | 179.5° |
| C16 | C15 | C11 | N10 | 0.1° | 0.5° |
| C17 | C16 | C15 | C11 | 0.1° | 0.7° |
| C16 | C17 | CL18 | C9 | 177.8° | 179.9° |
| C16 | C17 | C9 | N10 | 2.2° | 0.0° |
| C16 | C17 | C9 | C8 | 178.0° | 179.7° |
| C15 | C11 | N12 | C13 | 0.5° | 0.1° |
| C15 | C11 | N12 | N10 | 180.0° | 179.9° |
| C15 | C11 | N10 | C9 | 0.8° | 0.0° |
| C11 | C15 | C16 | H4 | 179.8° | 180.0° |
| CL18 | C17 | C9 | N10 | 179.8° | 180.0° |
| CL18 | C17 | C9 | C8 | 4.4° | 0.3° |
| CL18 | C17 | C16 | H4 | 0.8° | 0.2° |
| C13 | N12 | C11 | N10 | 179.5° | 180.0° |
| C17 | C9 | N10 | C11 | 1.9° | 0.3° |
| C17 | C9 | N10 | C8 | 176.4° | 179.7° |
| C17 | C9 | C8 | C2 | 60.1° | 57.1° |
| C17 | C9 | C8 | C6 | 126.3° | 123.0° |
| C9 | C17 | C16 | H4 | 178.7° | 179.7° |
| N12 | C11 | N10 | C9 | 179.2° | 179.9° |
| C11 | N12 | C13 | H3 | 179.3° | 179.9° |
| C11 | N10 | C9 | C8 | 178.3° | 180.0° |
| N10 | C9 | C8 | C2 | 116.0° | 123.2° |
| N10 | C9 | C8 | C6 | 57.7° | 56.7° |
| C9 | C8 | C2 | F1 | 4.5° | 0.2° |
| C9 | C8 | C2 | C6 | 173.8° | 179.9° |
| C9 | C8 | C2 | C3 | 176.1° | 180.0° |
| C9 | C8 | C6 | F7 | 4.5° | 0.1° |
| C9 | C8 | C6 | C5 | 176.4° | 180.0° |
| F1 | C2 | C8 | C3 | 179.4° | 179.8° |
| F1 | C2 | C8 | C6 | 178.3° | 179.7° |
| F1 | C2 | C3 | C4 | 179.8° | 179.7° |
| F1 | C2 | C3 | H5 | 0.2° | 0.3° |
| C2 | C8 | C6 | F7 | 178.3° | 180.0° |
| C2 | C8 | C6 | C5 | 2.6° | 0.1° |
| C8 | C2 | C3 | C4 | 0.7° | 0.1° |
| C8 | C2 | C3 | H5 | 179.3° | 180.0° |
| C6 | C8 | C2 | C3 | 2.3° | 0.1° |
| C8 | C6 | F7 | C5 | 179.1° | 179.9° |
| C8 | C6 | C5 | C4 | 1.3° | 0.1° |
| C8 | C6 | C5 | H2 | 178.7° | 180.0° |
| C2 | C3 | C4 | H5 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.6° | 0.1° |
| C2 | C3 | C4 | H1 | 179.4° | 180.0° |
| F7 | C6 | C5 | C4 | 179.6° | 180.0° |
| F7 | C6 | C5 | H2 | 0.4° | 0.0° |
| C6 | C5 | C4 | C3 | 0.3° | 0.1° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | H1 | 179.7° | 180.0° |
| C3 | C4 | C5 | H1 | 180.0° | 180.0° |
| C3 | C4 | C5 | H2 | 179.6° | 180.0° |
| C5 | C4 | C3 | H5 | 179.3° | 180.0° |
| H1 | C4 | C5 | H2 | 0.4° | 0.0° |
| H1 | C4 | C3 | H5 | 0.7° | 0.0° |
