CP6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.33Å | 1.40Å | Aromatic |
| N1 | C3 | doub | 1.33Å | 1.38Å | Aromatic |
| C2 | N6 | doub | 1.32Å | 1.40Å | Aromatic |
| C2 | N14 | sing | 1.38Å | 1.40Å | |
| C3 | C4 | sing | 1.41Å | 1.49Å | Aromatic |
| C3 | N13 | sing | 1.38Å | 1.35Å | |
| C4 | C5 | doub | 1.39Å | 1.50Å | Aromatic |
| C4 | C7 | sing | 1.48Å | 1.45Å | Aromatic |
| C5 | N6 | sing | 1.32Å | 1.36Å | Aromatic |
| C5 | C15 | sing | 1.51Å | 1.50Å | |
| C7 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C12 | doub | 1.39Å | 1.46Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | C10 | sing | 1.38Å | 1.45Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | CL1 | sing | 1.74Å | 1.66Å | |
| C11 | C12 | sing | 1.38Å | 1.43Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| N13 | H131 | sing | 0.97Å | 1.02Å | |
| N13 | H132 | sing | 0.97Å | 1.02Å | |
| N14 | H141 | sing | 0.97Å | 1.02Å | |
| N14 | H142 | sing | 0.97Å | 1.02Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C16 | H163 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C3 | 119.4° | 120.7° |
| N1 | C2 | N6 | 124.3° | 121.9° |
| N1 | C2 | N14 | 118.3° | 119.0° |
| N1 | C3 | C4 | 120.8° | 118.9° |
| N1 | C3 | N13 | 121.0° | 120.6° |
| N6 | C2 | N14 | 117.3° | 119.1° |
| C2 | N6 | C5 | 118.2° | 121.1° |
| C2 | N14 | H141 | 118.4° | 120.0° |
| C2 | N14 | H142 | 109.0° | 120.0° |
| C4 | C3 | N13 | 118.1° | 120.5° |
| C3 | C4 | C5 | 114.6° | 118.2° |
| C3 | C4 | C7 | 123.8° | 120.9° |
| C3 | N13 | H131 | 120.9° | 119.9° |
| C3 | N13 | H132 | 108.1° | 120.0° |
| C5 | C4 | C7 | 121.5° | 120.9° |
| C4 | C5 | N6 | 122.5° | 119.1° |
| C4 | C5 | C15 | 118.0° | 120.4° |
| C4 | C7 | C8 | 123.5° | 120.2° |
| C4 | C7 | C12 | 120.3° | 120.1° |
| N6 | C5 | C15 | 119.4° | 120.4° |
| C5 | C15 | C16 | 119.7° | 109.5° |
| C5 | C15 | H151 | 108.6° | 109.4° |
| C5 | C15 | H152 | 108.6° | 109.5° |
| C8 | C7 | C12 | 116.3° | 119.7° |
| C7 | C8 | C9 | 121.9° | 119.9° |
| C7 | C8 | H8 | 118.7° | 120.0° |
| C7 | C12 | C11 | 122.8° | 119.9° |
| C7 | C12 | H12 | 119.9° | 120.0° |
| C9 | C8 | H8 | 119.5° | 120.0° |
| C8 | C9 | C10 | 120.3° | 120.1° |
| C8 | C9 | H9 | 118.7° | 119.9° |
| C10 | C9 | H9 | 121.0° | 119.9° |
| C9 | C10 | C11 | 120.2° | 120.2° |
| C9 | C10 | CL1 | 115.4° | 119.9° |
| C11 | C10 | CL1 | 124.4° | 119.9° |
| C10 | C11 | C12 | 118.5° | 120.1° |
| C10 | C11 | H11 | 119.5° | 119.9° |
| C12 | C11 | H11 | 121.9° | 119.9° |
| C11 | C12 | H12 | 117.3° | 120.1° |
| H131 | N13 | H132 | 108.1° | 120.0° |
| H141 | N14 | H142 | 108.9° | 120.0° |
| C16 | C15 | H151 | 108.5° | 109.5° |
| C16 | C15 | H152 | 108.5° | 109.5° |
| C15 | C16 | H161 | 119.7° | 109.5° |
| C15 | C16 | H162 | 108.6° | 109.5° |
| C15 | C16 | H163 | 108.6° | 109.5° |
| H151 | C15 | H152 | 101.5° | 109.5° |
| H161 | C16 | H162 | 108.5° | 109.4° |
| H161 | C16 | H163 | 108.6° | 109.5° |
| H162 | C16 | H163 | 101.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N6 | N14 | 177.0° | 180.0° |
| C2 | N1 | C3 | C4 | 4.2° | 0.2° |
| C2 | N1 | C3 | N13 | 179.9° | 179.9° |
| N1 | C2 | N6 | C5 | 3.1° | 0.0° |
| N1 | C2 | N14 | H141 | 180.0° | 0.0° |
| N1 | C2 | N14 | H142 | 54.8° | 180.0° |
| C3 | N1 | C2 | N6 | 3.2° | 0.0° |
| C3 | N1 | C2 | N14 | 179.8° | 180.0° |
| N1 | C3 | C4 | N13 | 176.0° | 179.7° |
| N1 | C3 | C4 | C5 | 4.9° | 0.5° |
| N1 | C3 | C4 | C7 | 178.9° | 180.0° |
| N1 | C3 | N13 | H131 | 180.0° | 0.1° |
| N1 | C3 | N13 | H132 | 54.7° | 180.0° |
| C2 | N6 | C5 | C4 | 4.1° | 0.3° |
| C2 | N6 | C5 | C15 | 179.9° | 180.0° |
| N6 | C2 | N14 | H141 | 2.8° | 180.0° |
| N6 | C2 | N14 | H142 | 122.4° | 0.0° |
| N14 | C2 | N6 | C5 | 179.9° | 180.0° |
| C2 | N14 | H141 | H142 | 125.2° | 179.9° |
| C3 | C4 | C5 | C7 | 176.3° | 179.5° |
| C3 | C4 | C5 | N6 | 5.0° | 0.5° |
| C3 | C4 | C5 | C15 | 179.0° | 179.8° |
| C3 | C4 | C7 | C8 | 92.2° | 68.6° |
| C3 | C4 | C7 | C12 | 87.5° | 111.6° |
| C4 | C3 | N13 | H131 | 4.0° | 179.7° |
| C4 | C3 | N13 | H132 | 129.3° | 0.4° |
| N13 | C3 | C4 | C5 | 179.0° | 179.8° |
| N13 | C3 | C4 | C7 | 2.8° | 0.3° |
| C3 | N13 | H131 | H132 | 125.3° | 179.9° |
| C4 | C5 | N6 | C15 | 176.0° | 179.7° |
| C5 | C4 | C7 | C8 | 83.7° | 111.9° |
| C5 | C4 | C7 | C12 | 96.5° | 67.9° |
| C4 | C5 | C15 | C16 | 118.0° | 93.1° |
| C4 | C5 | C15 | H151 | 7.2° | 26.9° |
| C4 | C5 | C15 | H152 | 116.7° | 146.9° |
| C7 | C4 | C5 | N6 | 178.7° | 180.0° |
| C7 | C4 | C5 | C15 | 2.7° | 0.3° |
| C4 | C7 | C8 | C12 | 179.7° | 179.8° |
| C4 | C7 | C8 | C9 | 179.5° | 180.0° |
| C4 | C7 | C8 | H8 | 0.5° | 0.0° |
| C4 | C7 | C12 | C11 | 179.0° | 179.8° |
| C4 | C7 | C12 | H12 | 1.0° | 0.2° |
| N6 | C5 | C15 | C16 | 58.1° | 86.6° |
| N6 | C5 | C15 | H151 | 176.7° | 153.4° |
| N6 | C5 | C15 | H152 | 67.1° | 33.4° |
| C5 | C15 | C16 | H151 | 125.3° | 120.0° |
| C5 | C15 | C16 | H152 | 125.3° | 120.0° |
| C5 | C15 | H151 | H152 | 114.3° | 120.0° |
| C5 | C15 | C16 | H161 | 180.0° | 175.3° |
| C5 | C15 | C16 | H162 | 54.7° | 64.7° |
| C5 | C15 | C16 | H163 | 54.7° | 55.3° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.6° | 0.0° |
| C7 | C8 | C9 | H9 | 179.4° | 180.0° |
| C8 | C7 | C12 | C11 | 0.7° | 0.4° |
| C8 | C7 | C12 | H12 | 179.2° | 180.0° |
| C12 | C7 | C8 | C9 | 0.3° | 0.2° |
| C12 | C7 | C8 | H8 | 179.7° | 179.8° |
| C7 | C12 | C11 | C10 | 0.3° | 0.5° |
| C7 | C12 | C11 | H12 | 180.0° | 179.6° |
| C7 | C12 | C11 | H11 | 179.7° | 179.7° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 1.0° | 0.0° |
| C8 | C9 | C10 | CL1 | 179.2° | 180.0° |
| H8 | C8 | C9 | C10 | 179.4° | 180.0° |
| H8 | C8 | C9 | H9 | 0.6° | 0.0° |
| C9 | C10 | C11 | CL1 | 179.7° | 180.0° |
| C9 | C10 | C11 | C12 | 0.6° | 0.3° |
| C9 | C10 | C11 | H11 | 179.4° | 179.9° |
| H9 | C9 | C10 | C11 | 179.0° | 179.9° |
| H9 | C9 | C10 | CL1 | 0.8° | 0.1° |
| C10 | C11 | C12 | H11 | 180.0° | 179.8° |
| C10 | C11 | C12 | H12 | 179.7° | 180.0° |
| CL1 | C10 | C11 | C12 | 179.7° | 179.7° |
| CL1 | C10 | C11 | H11 | 0.3° | 0.0° |
| H11 | C11 | C12 | H12 | 0.3° | 0.2° |
| C16 | C15 | H151 | H152 | 114.2° | 120.0° |
| C15 | C16 | H161 | H162 | 125.3° | 120.0° |
| C15 | C16 | H161 | H163 | 125.3° | 120.1° |
| C15 | C16 | H162 | H163 | 114.2° | 120.1° |
| H151 | C15 | C16 | H161 | 54.8° | 64.7° |
| H151 | C15 | C16 | H162 | 179.9° | 55.2° |
| H151 | C15 | C16 | H163 | 70.5° | 175.3° |
| H152 | C15 | C16 | H161 | 54.7° | 55.3° |
| H152 | C15 | C16 | H162 | 70.6° | 175.2° |
| H152 | C15 | C16 | H163 | 180.0° | 64.7° |
| H161 | C16 | H162 | H163 | 114.2° | 120.0° |
