C2M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.33Å | 1.39Å | Aromatic |
| N1 | C5 | sing | 1.32Å | 1.40Å | Aromatic |
| C2 | N2 | sing | 1.32Å | 1.37Å | Aromatic |
| C2 | N3 | sing | 1.38Å | 1.46Å | |
| N2 | C3 | doub | 1.33Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.41Å | 1.49Å | Aromatic |
| C3 | N4 | sing | 1.38Å | 1.43Å | |
| C4 | C5 | doub | 1.39Å | 1.46Å | Aromatic |
| C4 | C6 | sing | 1.48Å | 1.47Å | Aromatic |
| C5 | C12 | sing | 1.51Å | 1.49Å | |
| C6 | C7 | doub | 1.39Å | 1.48Å | Aromatic |
| C6 | C11 | sing | 1.39Å | 1.50Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.46Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | doub | 1.39Å | 1.53Å | Aromatic |
| C8 | CL2 | sing | 1.74Å | 1.68Å | |
| C9 | C10 | sing | 1.38Å | 1.48Å | Aromatic |
| C9 | CL1 | sing | 1.74Å | 1.68Å | |
| C10 | C11 | doub | 1.38Å | 1.48Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| N3 | HN31 | sing | 0.97Å | 1.02Å | |
| N3 | HN32 | sing | 0.97Å | 1.02Å | |
| N4 | HN41 | sing | 0.97Å | 1.02Å | |
| N4 | HN42 | sing | 0.97Å | 1.02Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C12 | H123 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C5 | 123.2° | 121.1° |
| N1 | C2 | N2 | 116.9° | 121.9° |
| N1 | C2 | N3 | 122.4° | 119.0° |
| N1 | C5 | C4 | 122.4° | 119.2° |
| N1 | C5 | C12 | 111.0° | 120.5° |
| N2 | C2 | N3 | 120.7° | 119.1° |
| C2 | N2 | C3 | 123.2° | 120.8° |
| C2 | N3 | HN31 | 122.4° | 120.0° |
| C2 | N3 | HN32 | 107.6° | 120.0° |
| N2 | C3 | C4 | 123.0° | 118.9° |
| N2 | C3 | N4 | 115.8° | 120.6° |
| C4 | C3 | N4 | 121.2° | 120.5° |
| C3 | C4 | C5 | 111.3° | 118.2° |
| C3 | C4 | C6 | 122.8° | 120.9° |
| C3 | N4 | HN41 | 115.8° | 120.0° |
| C3 | N4 | HN42 | 109.9° | 120.0° |
| C5 | C4 | C6 | 125.8° | 120.9° |
| C4 | C5 | C12 | 126.6° | 120.4° |
| C4 | C6 | C7 | 117.9° | 120.1° |
| C4 | C6 | C11 | 122.7° | 120.1° |
| C5 | C12 | H121 | 111.0° | 109.5° |
| C5 | C12 | H122 | 111.6° | 109.5° |
| C5 | C12 | H123 | 111.6° | 109.5° |
| C7 | C6 | C11 | 119.3° | 119.8° |
| C6 | C7 | C8 | 120.8° | 119.9° |
| C6 | C7 | H7 | 120.3° | 120.1° |
| C6 | C11 | C10 | 121.1° | 119.8° |
| C6 | C11 | H11 | 119.8° | 120.1° |
| C8 | C7 | H7 | 118.9° | 120.1° |
| C7 | C8 | C9 | 119.7° | 120.1° |
| C7 | C8 | CL2 | 114.8° | 120.0° |
| C9 | C8 | CL2 | 125.5° | 120.0° |
| C8 | C9 | C10 | 119.8° | 120.2° |
| C8 | C9 | CL1 | 123.8° | 119.9° |
| C10 | C9 | CL1 | 116.3° | 119.9° |
| C9 | C10 | C11 | 119.3° | 120.2° |
| C9 | C10 | H10 | 120.0° | 119.9° |
| C11 | C10 | H10 | 120.6° | 119.9° |
| C10 | C11 | H11 | 119.1° | 120.1° |
| HN31 | N3 | HN32 | 107.6° | 120.0° |
| HN41 | N4 | HN42 | 109.9° | 120.0° |
| H121 | C12 | H122 | 111.7° | 109.4° |
| H121 | C12 | H123 | 111.7° | 109.5° |
| H122 | C12 | H123 | 98.8° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N2 | N3 | 179.4° | 180.0° |
| N1 | C2 | N2 | C3 | 0.1° | 0.0° |
| C2 | N1 | C5 | C4 | 0.5° | 0.2° |
| C2 | N1 | C5 | C12 | 179.2° | 180.0° |
| N1 | C2 | N3 | HN31 | 180.0° | 0.0° |
| N1 | C2 | N3 | HN32 | 54.8° | 180.0° |
| C5 | N1 | C2 | N2 | 0.6° | 0.0° |
| C5 | N1 | C2 | N3 | 178.8° | 180.0° |
| N1 | C5 | C4 | C3 | 0.1° | 0.5° |
| N1 | C5 | C4 | C12 | 179.7° | 179.8° |
| N1 | C5 | C4 | C6 | 179.8° | 180.0° |
| N1 | C5 | C12 | H121 | 180.0° | 90.0° |
| N1 | C5 | C12 | H122 | 54.7° | 150.0° |
| N1 | C5 | C12 | H123 | 54.7° | 30.1° |
| C2 | N2 | C3 | C4 | 0.5° | 0.3° |
| C2 | N2 | C3 | N4 | 179.7° | 180.0° |
| N2 | C2 | N3 | HN31 | 0.6° | 180.0° |
| N2 | C2 | N3 | HN32 | 124.6° | 0.0° |
| N3 | C2 | N2 | C3 | 179.3° | 180.0° |
| C2 | N3 | HN31 | HN32 | 125.2° | 180.0° |
| N2 | C3 | C4 | N4 | 179.8° | 179.7° |
| N2 | C3 | C4 | C5 | 0.5° | 0.5° |
| N2 | C3 | C4 | C6 | 179.4° | 180.0° |
| N2 | C3 | N4 | HN41 | 180.0° | 0.0° |
| N2 | C3 | N4 | HN42 | 54.7° | 180.0° |
| C3 | C4 | C5 | C6 | 179.9° | 179.5° |
| C3 | C4 | C5 | C12 | 179.7° | 179.7° |
| C3 | C4 | C6 | C7 | 77.0° | 115.3° |
| C3 | C4 | C6 | C11 | 102.6° | 65.0° |
| C4 | C3 | N4 | HN41 | 0.1° | 179.7° |
| C4 | C3 | N4 | HN42 | 125.1° | 0.4° |
| N4 | C3 | C4 | C5 | 179.6° | 179.8° |
| N4 | C3 | C4 | C6 | 0.4° | 0.3° |
| C3 | N4 | HN41 | HN42 | 125.3° | 179.9° |
| C5 | C4 | C6 | C7 | 103.0° | 64.2° |
| C5 | C4 | C6 | C11 | 77.5° | 115.5° |
| C4 | C5 | C12 | H121 | 0.3° | 90.3° |
| C4 | C5 | C12 | H122 | 124.9° | 29.8° |
| C4 | C5 | C12 | H123 | 125.6° | 149.7° |
| C6 | C4 | C5 | C12 | 0.2° | 0.2° |
| C4 | C6 | C7 | C11 | 179.6° | 179.7° |
| C4 | C6 | C7 | C8 | 179.3° | 179.7° |
| C4 | C6 | C7 | H7 | 0.7° | 0.3° |
| C4 | C6 | C11 | C10 | 179.2° | 180.0° |
| C4 | C6 | C11 | H11 | 0.8° | 0.0° |
| C5 | C12 | H121 | H122 | 125.2° | 120.1° |
| C5 | C12 | H121 | H123 | 125.2° | 120.0° |
| C5 | C12 | H122 | H123 | 117.5° | 120.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.5° |
| C6 | C7 | C8 | C9 | 0.1° | 0.6° |
| C6 | C7 | C8 | CL2 | 179.9° | 179.8° |
| C7 | C6 | C11 | C10 | 0.4° | 0.3° |
| C7 | C6 | C11 | H11 | 179.7° | 179.8° |
| C11 | C6 | C7 | C8 | 0.2° | 0.6° |
| C11 | C6 | C7 | H7 | 179.8° | 180.0° |
| C6 | C11 | C10 | C9 | 0.1° | 0.0° |
| C6 | C11 | C10 | H11 | 180.0° | 180.0° |
| C6 | C11 | C10 | H10 | 179.9° | 180.0° |
| C7 | C8 | C9 | CL2 | 180.0° | 179.7° |
| C7 | C8 | C9 | C10 | 0.4° | 0.3° |
| C7 | C8 | C9 | CL1 | 178.7° | 179.7° |
| H7 | C7 | C8 | C9 | 179.8° | 180.0° |
| H7 | C7 | C8 | CL2 | 0.1° | 0.3° |
| C8 | C9 | C10 | CL1 | 179.2° | 180.0° |
| C8 | C9 | C10 | C11 | 0.3° | 0.0° |
| C8 | C9 | C10 | H10 | 179.7° | 180.0° |
| CL2 | C8 | C9 | C10 | 179.6° | 180.0° |
| CL2 | C8 | C9 | CL1 | 1.2° | 0.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | H11 | 179.9° | 180.0° |
| CL1 | C9 | C10 | C11 | 178.9° | 180.0° |
| CL1 | C9 | C10 | H10 | 1.0° | 0.1° |
| H10 | C10 | C11 | H11 | 0.1° | 0.0° |
| H121 | C12 | H122 | H123 | 117.6° | 119.9° |
