RC6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | C06 | sing | 1.54Å | 1.50Å | |
| C05 | N04 | sing | 1.47Å | 1.46Å | |
| C06 | C07 | sing | 1.51Å | 1.52Å | |
| C01 | C02 | sing | 1.51Å | 1.52Å | |
| N04 | C02 | sing | 1.35Å | 1.43Å | |
| N04 | C12 | sing | 1.40Å | 1.47Å | |
| C02 | O03 | doub | 1.21Å | 1.19Å | |
| C07 | C12 | doub | 1.39Å | 1.32Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| CL13 | C08 | sing | 1.74Å | 1.77Å | |
| C12 | C11 | sing | 1.40Å | 1.44Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C05 | N04 | 105.8° | 105.2° |
| C05 | C06 | C07 | 104.3° | 104.6° |
| C06 | C05 | H4 | 110.4° | 110.3° |
| C06 | C05 | H5 | 110.4° | 110.3° |
| C05 | C06 | H6 | 110.7° | 110.4° |
| C05 | C06 | H7 | 110.7° | 110.4° |
| C05 | N04 | C02 | 126.7° | 125.0° |
| C05 | N04 | C12 | 108.2° | 110.0° |
| N04 | C05 | H4 | 110.4° | 110.3° |
| N04 | C05 | H5 | 110.4° | 110.3° |
| C06 | C07 | C12 | 110.5° | 108.5° |
| C06 | C07 | C08 | 129.9° | 131.0° |
| C07 | C06 | H6 | 110.8° | 110.4° |
| C07 | C06 | H7 | 110.8° | 110.4° |
| C01 | C02 | N04 | 119.2° | 120.0° |
| C01 | C02 | O03 | 121.8° | 120.0° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| C02 | N04 | C12 | 124.8° | 124.9° |
| N04 | C02 | O03 | 118.9° | 120.0° |
| N04 | C12 | C07 | 109.9° | 111.6° |
| N04 | C12 | C11 | 127.7° | 129.4° |
| C12 | C07 | C08 | 119.6° | 120.5° |
| C07 | C12 | C11 | 122.1° | 119.0° |
| C07 | C08 | CL13 | 115.2° | 119.9° |
| C07 | C08 | C09 | 121.9° | 120.1° |
| CL13 | C08 | C09 | 122.9° | 119.9° |
| C12 | C11 | C10 | 117.4° | 120.3° |
| C12 | C11 | H10 | 121.3° | 119.8° |
| C08 | C09 | C10 | 118.2° | 119.8° |
| C08 | C09 | H8 | 120.9° | 120.1° |
| C11 | C10 | C09 | 120.6° | 120.3° |
| C11 | C10 | H9 | 119.7° | 119.9° |
| C10 | C11 | H10 | 121.3° | 119.9° |
| C10 | C09 | H8 | 120.9° | 120.1° |
| C09 | C10 | H9 | 119.7° | 119.8° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.4° | 109.4° |
| H4 | C05 | H5 | 109.4° | 110.3° |
| H6 | C06 | H7 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C05 | N04 | H4 | 119.4° | 118.9° |
| C06 | C05 | N04 | H5 | 119.4° | 119.0° |
| C05 | C06 | C07 | H6 | 119.2° | 118.8° |
| C05 | C06 | C07 | H7 | 119.2° | 118.8° |
| C06 | C05 | N04 | C02 | 176.3° | 180.0° |
| C06 | C05 | N04 | C12 | 9.6° | 0.1° |
| C05 | C06 | C07 | C12 | 9.5° | 0.0° |
| C05 | C06 | C07 | C08 | 171.3° | 180.0° |
| C06 | C05 | H4 | H5 | 121.7° | 122.1° |
| C05 | C06 | H6 | H7 | 122.4° | 122.5° |
| N04 | C05 | C06 | C07 | 11.3° | 0.1° |
| C05 | N04 | C02 | C01 | 3.2° | 180.0° |
| C05 | N04 | C02 | C12 | 173.2° | 180.0° |
| C05 | N04 | C02 | O03 | 178.8° | 0.0° |
| C05 | N04 | C12 | C07 | 3.9° | 0.0° |
| C05 | N04 | C12 | C11 | 170.0° | 180.0° |
| N04 | C05 | H4 | H5 | 121.7° | 122.1° |
| N04 | C05 | C06 | H6 | 130.4° | 118.8° |
| N04 | C05 | C06 | H7 | 107.9° | 118.7° |
| C06 | C07 | C12 | N04 | 3.7° | 0.0° |
| C06 | C07 | C12 | C08 | 179.3° | 180.0° |
| C06 | C07 | C08 | CL13 | 0.5° | 0.0° |
| C06 | C07 | C12 | C11 | 178.0° | 180.0° |
| C06 | C07 | C08 | C09 | 179.8° | 180.0° |
| C07 | C06 | C05 | H4 | 130.7° | 119.0° |
| C07 | C06 | C05 | H5 | 108.2° | 118.9° |
| C07 | C06 | H6 | H7 | 122.4° | 122.4° |
| C01 | C02 | N04 | O03 | 177.9° | 180.0° |
| C01 | C02 | N04 | C12 | 176.4° | 0.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.1° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C02 | N04 | C12 | C07 | 178.1° | 180.0° |
| C02 | N04 | C12 | C11 | 4.2° | 0.0° |
| N04 | C02 | C01 | H1 | 177.9° | 179.9° |
| N04 | C02 | C01 | H2 | 57.8° | 60.0° |
| N04 | C02 | C01 | H3 | 62.1° | 60.0° |
| C02 | N04 | C05 | H4 | 56.8° | 61.1° |
| C02 | N04 | C05 | H5 | 64.3° | 61.0° |
| C12 | N04 | C02 | O03 | 5.7° | 180.0° |
| N04 | C12 | C07 | C11 | 174.3° | 180.0° |
| N04 | C12 | C07 | C08 | 177.0° | 180.0° |
| N04 | C12 | C11 | C10 | 175.8° | 180.0° |
| C12 | N04 | C05 | H4 | 129.1° | 119.0° |
| C12 | N04 | C05 | H5 | 109.8° | 118.9° |
| N04 | C12 | C11 | H10 | 4.2° | 0.0° |
| O03 | C02 | C01 | H1 | 0.0° | 0.1° |
| O03 | C02 | C01 | H2 | 120.0° | 120.0° |
| O03 | C02 | C01 | H3 | 120.0° | 120.0° |
| C12 | C07 | C08 | CL13 | 178.7° | 180.0° |
| C12 | C07 | C08 | C09 | 1.0° | 0.0° |
| C07 | C12 | C11 | C10 | 2.6° | 0.0° |
| C12 | C07 | C06 | H6 | 128.6° | 118.8° |
| C12 | C07 | C06 | H7 | 109.7° | 118.8° |
| C07 | C12 | C11 | H10 | 177.4° | 180.0° |
| C07 | C08 | CL13 | C09 | 179.7° | 180.0° |
| C08 | C07 | C12 | C11 | 2.7° | 0.0° |
| C07 | C08 | C09 | C10 | 0.8° | 0.0° |
| C08 | C07 | C06 | H6 | 52.1° | 61.2° |
| C08 | C07 | C06 | H7 | 69.5° | 61.2° |
| C07 | C08 | C09 | H8 | 179.1° | 179.9° |
| CL13 | C08 | C09 | C10 | 179.5° | 180.0° |
| CL13 | C08 | C09 | H8 | 0.5° | 0.1° |
| C12 | C11 | C10 | H10 | 180.0° | 180.0° |
| C12 | C11 | C10 | C09 | 0.6° | 0.0° |
| C12 | C11 | C10 | H9 | 179.4° | 179.9° |
| C08 | C09 | C10 | C11 | 0.9° | 0.0° |
| C08 | C09 | C10 | H8 | 180.0° | 179.9° |
| C08 | C09 | C10 | H9 | 179.0° | 179.9° |
| C11 | C10 | C09 | H9 | 180.0° | 179.9° |
| C11 | C10 | C09 | H8 | 179.0° | 179.9° |
| C09 | C10 | C11 | H10 | 179.3° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C05 | C06 | H6 | 110.1° | 122.3° |
| H4 | C05 | C06 | H7 | 11.5° | 0.2° |
| H5 | C05 | C06 | H6 | 11.0° | 0.2° |
| H5 | C05 | C06 | H7 | 132.6° | 122.3° |
| H8 | C09 | C10 | H9 | 1.0° | 0.0° |
| H9 | C10 | C11 | H10 | 0.6° | 0.1° |
