RGO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| O15 | C14 | doub | 1.21Å | 1.18Å | |
| C11 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | N13 | sing | 1.35Å | 1.44Å | |
| C14 | C02 | sing | 1.51Å | 1.55Å | |
| C12 | C07 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | N13 | sing | 1.41Å | 1.50Å | |
| C08 | C07 | sing | 1.38Å | 1.41Å | Aromatic |
| F03 | C02 | sing | 1.40Å | 1.36Å | |
| C07 | C06 | sing | 1.52Å | 1.51Å | |
| N13 | C05 | sing | 1.48Å | 1.38Å | |
| C02 | C04 | sing | 1.55Å | 1.62Å | |
| C02 | F01 | sing | 1.40Å | 1.36Å | |
| C06 | C05 | sing | 1.54Å | 1.53Å | |
| C04 | C05 | sing | 1.54Å | 1.53Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C09 | 120.8° | 120.2° |
| C10 | C11 | C12 | 117.9° | 120.1° |
| C11 | C10 | H8 | 119.6° | 119.9° |
| C10 | C11 | H9 | 121.1° | 119.9° |
| C10 | C09 | C08 | 120.9° | 119.9° |
| C10 | C09 | H7 | 119.5° | 120.0° |
| C09 | C10 | H8 | 119.6° | 119.9° |
| O15 | C14 | N13 | 128.9° | 124.9° |
| O15 | C14 | C02 | 130.4° | 124.9° |
| C11 | C12 | C07 | 122.2° | 119.3° |
| C11 | C12 | N13 | 131.5° | 130.2° |
| C12 | C11 | H9 | 121.1° | 120.0° |
| C09 | C08 | C07 | 119.1° | 120.1° |
| C09 | C08 | H6 | 120.4° | 120.0° |
| C08 | C09 | H7 | 119.5° | 120.0° |
| N13 | C14 | C02 | 100.7° | 110.2° |
| C14 | N13 | C12 | 131.6° | 144.4° |
| C14 | N13 | C05 | 119.9° | 109.5° |
| C14 | C02 | F03 | 112.1° | 110.6° |
| C14 | C02 | C04 | 102.0° | 104.4° |
| C14 | C02 | F01 | 107.2° | 110.4° |
| C07 | C12 | N13 | 106.1° | 110.4° |
| C12 | C07 | C08 | 119.1° | 120.2° |
| C12 | C07 | C06 | 108.9° | 108.1° |
| C12 | N13 | C05 | 108.4° | 106.0° |
| C08 | C07 | C06 | 132.0° | 131.7° |
| C07 | C08 | H6 | 120.5° | 119.9° |
| F03 | C02 | C04 | 107.0° | 110.5° |
| F03 | C02 | F01 | 111.9° | 110.4° |
| C07 | C06 | C05 | 102.6° | 102.4° |
| C07 | C06 | H4 | 111.1° | 110.8° |
| C07 | C06 | H5 | 111.2° | 111.0° |
| N13 | C05 | C06 | 104.0° | 103.0° |
| N13 | C05 | C04 | 101.1° | 104.4° |
| N13 | C05 | H3 | 113.4° | 112.6° |
| C04 | C02 | F01 | 116.3° | 110.4° |
| C02 | C04 | C05 | 101.4° | 100.9° |
| C02 | C04 | H1 | 111.4° | 111.1° |
| C02 | C04 | H2 | 111.5° | 111.2° |
| C06 | C05 | C04 | 115.8° | 111.5° |
| C06 | C05 | H3 | 111.0° | 112.4° |
| C05 | C06 | H4 | 111.2° | 110.8° |
| C05 | C06 | H5 | 111.1° | 110.8° |
| C05 | C04 | H1 | 111.4° | 111.1° |
| C05 | C04 | H2 | 111.4° | 111.1° |
| C04 | C05 | H3 | 111.0° | 112.3° |
| H1 | C04 | H2 | 109.5° | 111.0° |
| H4 | C06 | H5 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C09 | H8 | 180.0° | 180.0° |
| C10 | C11 | C12 | H9 | 180.0° | 180.0° |
| C11 | C10 | C09 | C08 | 0.0° | 1.2° |
| C10 | C11 | C12 | C07 | 2.7° | 2.2° |
| C10 | C11 | C12 | N13 | 177.0° | 173.9° |
| C11 | C10 | C09 | H7 | 180.0° | 178.8° |
| C09 | C10 | C11 | C12 | 1.3° | 0.0° |
| C10 | C09 | C08 | H7 | 180.0° | 180.0° |
| C10 | C09 | C08 | C07 | 0.1° | 0.0° |
| C10 | C09 | C08 | H6 | 179.9° | 180.0° |
| C09 | C10 | C11 | H9 | 178.7° | 180.0° |
| O15 | C14 | N13 | C02 | 179.8° | 179.0° |
| O15 | C14 | N13 | C12 | 4.5° | 15.7° |
| O15 | C14 | C02 | F03 | 42.4° | 51.1° |
| O15 | C14 | N13 | C05 | 179.1° | 168.8° |
| O15 | C14 | C02 | C04 | 156.5° | 169.9° |
| O15 | C14 | C02 | F01 | 80.8° | 71.5° |
| C11 | C12 | N13 | C14 | 22.3° | 25.7° |
| C11 | C12 | C07 | N13 | 175.6° | 176.9° |
| C11 | C12 | C07 | C08 | 2.6° | 3.4° |
| C11 | C12 | C07 | C06 | 177.9° | 176.4° |
| C11 | C12 | N13 | C05 | 162.7° | 158.6° |
| C12 | C11 | C10 | H8 | 178.7° | 180.0° |
| C09 | C08 | C07 | C12 | 1.1° | 2.2° |
| C09 | C08 | C07 | H6 | 180.0° | 179.9° |
| C09 | C08 | C07 | C06 | 179.5° | 177.4° |
| C08 | C09 | C10 | H8 | 180.0° | 178.8° |
| C14 | N13 | C12 | C07 | 152.7° | 150.7° |
| C14 | N13 | C12 | C05 | 175.0° | 175.7° |
| N13 | C14 | C02 | F03 | 137.4° | 127.9° |
| N13 | C14 | C02 | C04 | 23.3° | 9.1° |
| N13 | C14 | C02 | F01 | 99.4° | 109.5° |
| C14 | N13 | C05 | C06 | 144.0° | 145.4° |
| C14 | N13 | C05 | C04 | 23.5° | 28.8° |
| C14 | N13 | C05 | H3 | 95.3° | 93.3° |
| C02 | C14 | N13 | C12 | 175.3° | 163.4° |
| C14 | C02 | F03 | C04 | 111.0° | 115.0° |
| C14 | C02 | F03 | F01 | 120.5° | 122.5° |
| C02 | C14 | N13 | C05 | 0.7° | 12.2° |
| C14 | C02 | C04 | F01 | 116.3° | 118.7° |
| C14 | C02 | C04 | C05 | 36.8° | 25.1° |
| C14 | C02 | C04 | H1 | 81.8° | 92.9° |
| C14 | C02 | C04 | H2 | 155.5° | 142.9° |
| C12 | C07 | C08 | C06 | 179.4° | 179.7° |
| C07 | C12 | N13 | C05 | 22.3° | 25.0° |
| C12 | C07 | C06 | C05 | 15.8° | 13.2° |
| C12 | C07 | C06 | H4 | 134.7° | 105.0° |
| C12 | C07 | C06 | H5 | 103.1° | 131.4° |
| C12 | C07 | C08 | H6 | 178.9° | 177.7° |
| C07 | C12 | C11 | H9 | 177.4° | 177.8° |
| N13 | C12 | C07 | C08 | 178.1° | 173.5° |
| N13 | C12 | C07 | C06 | 2.4° | 6.8° |
| C12 | N13 | C05 | C06 | 31.8° | 31.9° |
| C12 | N13 | C05 | C04 | 152.2° | 148.5° |
| C12 | N13 | C05 | H3 | 89.0° | 89.3° |
| N13 | C12 | C11 | H9 | 3.1° | 6.1° |
| C08 | C07 | C06 | C05 | 163.6° | 166.6° |
| C08 | C07 | C06 | H4 | 44.7° | 75.3° |
| C08 | C07 | C06 | H5 | 77.5° | 48.3° |
| C07 | C08 | C09 | H7 | 179.8° | 180.0° |
| F03 | C02 | C04 | F01 | 125.9° | 122.5° |
| F03 | C02 | C04 | C05 | 154.7° | 143.9° |
| F03 | C02 | C04 | H1 | 36.0° | 26.0° |
| F03 | C02 | C04 | H2 | 86.6° | 98.2° |
| C07 | C06 | C05 | N13 | 29.0° | 26.9° |
| C07 | C06 | C05 | H4 | 118.9° | 118.2° |
| C07 | C06 | C05 | H5 | 118.9° | 118.4° |
| C07 | C06 | C05 | C04 | 138.9° | 138.3° |
| C07 | C06 | C05 | H3 | 93.3° | 94.5° |
| C07 | C06 | H4 | H5 | 123.2° | 123.7° |
| C06 | C07 | C08 | H6 | 0.5° | 2.6° |
| N13 | C05 | C04 | C02 | 35.4° | 32.1° |
| N13 | C05 | C06 | C04 | 109.9° | 111.4° |
| N13 | C05 | C06 | H3 | 122.3° | 121.4° |
| N13 | C05 | C04 | H3 | 120.6° | 122.3° |
| N13 | C05 | C04 | H1 | 83.3° | 85.8° |
| N13 | C05 | C04 | H2 | 154.1° | 150.0° |
| N13 | C05 | C06 | H4 | 147.9° | 91.3° |
| N13 | C05 | C06 | H5 | 89.9° | 145.3° |
| C02 | C04 | C05 | C06 | 147.0° | 142.6° |
| C02 | C04 | C05 | H1 | 118.7° | 117.9° |
| C02 | C04 | C05 | H2 | 118.7° | 117.9° |
| C02 | C04 | H1 | H2 | 123.8° | 124.3° |
| C02 | C04 | C05 | H3 | 85.2° | 90.2° |
| F01 | C02 | C04 | C05 | 79.4° | 93.6° |
| F01 | C02 | C04 | H1 | 161.9° | 148.5° |
| F01 | C02 | C04 | H2 | 39.2° | 24.3° |
| C06 | C05 | C04 | H3 | 127.8° | 127.2° |
| C06 | C05 | C04 | H1 | 28.3° | 24.7° |
| C06 | C05 | C04 | H2 | 94.3° | 99.5° |
| C05 | C06 | H4 | H5 | 123.2° | 123.4° |
| C05 | C04 | H1 | H2 | 123.8° | 124.2° |
| C04 | C05 | C06 | H4 | 102.2° | 20.1° |
| C04 | C05 | C06 | H5 | 20.0° | 103.2° |
| H1 | C04 | C05 | H3 | 156.1° | 151.9° |
| H2 | C04 | C05 | H3 | 33.5° | 27.7° |
| H3 | C05 | C06 | H4 | 25.6° | 147.3° |
| H3 | C05 | C06 | H5 | 147.8° | 23.9° |
| H6 | C08 | C09 | H7 | 0.2° | 0.0° |
| H7 | C09 | C10 | H8 | 0.1° | 1.2° |
| H8 | C10 | C11 | H9 | 1.3° | 0.0° |
