C1M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C2 | sing | 1.74Å | 1.74Å | |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | N8 | sing | 1.40Å | 1.42Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| N8 | C9 | sing | 1.35Å | 1.36Å | Aromatic |
| N8 | N12 | sing | 1.41Å | 1.41Å | Aromatic |
| C9 | N10 | doub | 1.31Å | 1.31Å | Aromatic |
| N10 | N11 | sing | 1.28Å | 1.28Å | Aromatic |
| N11 | N12 | doub | 1.29Å | 1.29Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C2 | C3 | 120.0° | 119.9° |
| CL1 | C2 | C7 | 120.9° | 119.9° |
| C3 | C2 | C7 | 119.1° | 120.1° |
| C2 | C3 | C4 | 120.4° | 120.0° |
| C2 | C3 | H3 | 119.8° | 120.0° |
| C2 | C7 | C6 | 120.7° | 120.0° |
| C2 | C7 | H7 | 119.7° | 120.0° |
| C3 | C4 | C5 | 120.6° | 120.0° |
| C4 | C3 | H3 | 119.8° | 119.9° |
| C3 | C4 | H4 | 119.7° | 120.0° |
| C4 | C5 | C6 | 118.5° | 119.9° |
| C4 | C5 | N8 | 120.7° | 120.1° |
| C5 | C4 | H4 | 119.7° | 120.0° |
| C6 | C5 | N8 | 120.7° | 120.0° |
| C5 | C6 | C7 | 120.6° | 119.9° |
| C5 | C6 | H6 | 119.7° | 120.0° |
| C5 | N8 | C9 | 128.0° | 127.4° |
| C5 | N8 | N12 | 128.5° | 127.4° |
| C6 | C7 | H7 | 119.6° | 120.0° |
| C7 | C6 | H6 | 119.7° | 120.0° |
| C9 | N8 | N12 | 103.6° | 105.3° |
| N8 | C9 | N10 | 108.5° | 107.3° |
| N8 | C9 | H9 | 125.8° | 126.4° |
| N8 | N12 | N11 | 107.5° | 106.6° |
| C9 | N10 | N11 | 110.0° | 110.6° |
| N10 | C9 | H9 | 125.7° | 126.3° |
| N10 | N11 | N12 | 110.4° | 110.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C2 | C3 | C7 | 178.6° | 179.6° |
| CL1 | C2 | C3 | C4 | 178.9° | 180.0° |
| CL1 | C2 | C7 | C6 | 178.5° | 179.7° |
| CL1 | C2 | C3 | H3 | 1.1° | 0.1° |
| CL1 | C2 | C7 | H7 | 1.5° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.7° | 0.1° |
| C3 | C2 | C7 | C6 | 0.1° | 0.7° |
| C3 | C2 | C7 | H7 | 179.9° | 179.7° |
| C2 | C3 | C4 | H4 | 179.4° | 180.0° |
| C7 | C2 | C3 | C4 | 0.3° | 0.4° |
| C2 | C7 | C6 | C5 | 0.2° | 0.7° |
| C2 | C7 | C6 | H7 | 180.0° | 179.7° |
| C7 | C2 | C3 | H3 | 179.7° | 179.7° |
| C2 | C7 | C6 | H6 | 179.8° | 179.7° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.6° | 0.1° |
| C3 | C4 | C5 | N8 | 179.1° | 180.0° |
| C4 | C5 | C6 | N8 | 178.6° | 179.9° |
| C4 | C5 | C6 | C7 | 0.1° | 0.4° |
| C4 | C5 | N8 | C9 | 73.2° | 180.0° |
| C4 | C5 | N8 | N12 | 106.7° | 0.3° |
| C5 | C4 | C3 | H3 | 179.4° | 180.0° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.6° |
| C6 | C5 | N8 | C9 | 105.3° | 0.1° |
| C6 | C5 | N8 | N12 | 74.8° | 179.6° |
| C5 | C6 | C7 | H7 | 179.8° | 179.7° |
| C6 | C5 | C4 | H4 | 179.5° | 180.0° |
| N8 | C5 | C6 | C7 | 178.7° | 179.7° |
| C5 | N8 | C9 | N12 | 179.9° | 179.7° |
| C5 | N8 | C9 | N10 | 179.4° | 180.0° |
| C5 | N8 | N12 | N11 | 179.8° | 179.9° |
| N8 | C5 | C4 | H4 | 0.9° | 0.1° |
| N8 | C5 | C6 | H6 | 1.3° | 0.1° |
| C5 | N8 | C9 | H9 | 0.5° | 0.0° |
| N8 | C9 | N10 | H9 | 180.0° | 180.0° |
| N8 | C9 | N10 | N11 | 1.2° | 0.0° |
| C9 | N8 | N12 | N11 | 0.1° | 0.4° |
| N12 | N8 | C9 | N10 | 0.6° | 0.2° |
| N8 | N12 | N11 | N10 | 0.8° | 0.4° |
| N12 | N8 | C9 | H9 | 179.4° | 179.7° |
| C9 | N10 | N11 | N12 | 1.3° | 0.3° |
| N11 | N10 | C9 | H9 | 178.8° | 180.0° |
| H3 | C3 | C4 | H4 | 0.6° | 0.1° |
| H7 | C7 | C6 | H6 | 0.2° | 0.0° |
