RFO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C07 | doub | 1.34Å | 1.49Å | Aromatic |
| C08 | C09 | sing | 1.47Å | 1.53Å | Aromatic |
| C07 | N06 | sing | 1.38Å | 1.46Å | Aromatic |
| C03 | C04 | sing | 1.51Å | 1.48Å | |
| C03 | O02 | sing | 1.43Å | 1.41Å | |
| N06 | C04 | sing | 1.35Å | 1.41Å | |
| N06 | C14 | sing | 1.38Å | 1.45Å | Aromatic |
| C04 | O05 | doub | 1.21Å | 1.21Å | |
| C09 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| C09 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| O02 | C01 | sing | 1.43Å | 1.42Å | |
| CL15 | C10 | sing | 1.74Å | 1.73Å | |
| C14 | C13 | sing | 1.39Å | 1.43Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.42Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| C08 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C08 | C09 | 103.7° | 107.1° |
| C08 | C07 | N06 | 107.5° | 109.9° |
| C08 | C07 | H6 | 126.3° | 125.1° |
| C07 | C08 | H7 | 128.1° | 126.4° |
| C08 | C09 | C14 | 109.7° | 106.2° |
| C08 | C09 | C10 | 131.5° | 133.8° |
| C09 | C08 | H7 | 128.1° | 126.4° |
| C07 | N06 | C04 | 123.9° | 125.2° |
| C07 | N06 | C14 | 109.2° | 109.7° |
| N06 | C07 | H6 | 126.2° | 125.1° |
| C04 | C03 | O02 | 106.6° | 109.5° |
| C03 | C04 | N06 | 116.0° | 120.0° |
| C03 | C04 | O05 | 124.4° | 120.0° |
| C04 | C03 | H4 | 110.2° | 109.5° |
| C04 | C03 | H5 | 110.2° | 109.5° |
| C03 | O02 | C01 | 113.6° | 114.0° |
| O02 | C03 | H4 | 110.2° | 109.5° |
| O02 | C03 | H5 | 110.2° | 109.4° |
| C04 | N06 | C14 | 125.8° | 125.1° |
| N06 | C04 | O05 | 119.5° | 120.0° |
| N06 | C14 | C09 | 108.7° | 107.1° |
| N06 | C14 | C13 | 130.8° | 133.4° |
| C14 | C09 | C10 | 118.7° | 119.9° |
| C09 | C14 | C13 | 120.3° | 119.5° |
| C09 | C10 | CL15 | 115.5° | 120.2° |
| C09 | C10 | C11 | 122.0° | 119.6° |
| O02 | C01 | H1 | 109.5° | 109.5° |
| O02 | C01 | H2 | 109.5° | 109.5° |
| O02 | C01 | H3 | 109.5° | 109.5° |
| CL15 | C10 | C11 | 122.5° | 120.2° |
| C14 | C13 | C12 | 119.0° | 119.9° |
| C14 | C13 | H10 | 120.5° | 120.0° |
| C10 | C11 | C12 | 117.8° | 120.4° |
| C10 | C11 | H8 | 121.1° | 119.8° |
| C13 | C12 | C11 | 122.0° | 120.6° |
| C13 | C12 | H9 | 119.0° | 119.6° |
| C12 | C13 | H10 | 120.5° | 120.1° |
| C12 | C11 | H8 | 121.1° | 119.8° |
| C11 | C12 | H9 | 119.0° | 119.7° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H4 | C03 | H5 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C08 | C09 | H7 | 180.0° | 179.9° |
| C08 | C07 | N06 | H6 | 180.0° | 179.7° |
| C08 | C07 | N06 | C04 | 177.8° | 179.7° |
| C08 | C07 | N06 | C14 | 9.3° | 0.0° |
| C07 | C08 | C09 | C14 | 8.3° | 0.0° |
| C07 | C08 | C09 | C10 | 168.6° | 180.0° |
| C09 | C08 | C07 | N06 | 10.4° | 0.0° |
| C08 | C09 | C14 | N06 | 2.9° | 0.0° |
| C08 | C09 | C14 | C10 | 177.4° | 180.0° |
| C08 | C09 | C10 | CL15 | 3.2° | 0.0° |
| C08 | C09 | C14 | C13 | 178.7° | 180.0° |
| C08 | C09 | C10 | C11 | 177.6° | 179.9° |
| C09 | C08 | C07 | H6 | 169.6° | 179.7° |
| C07 | N06 | C04 | C03 | 5.1° | 0.0° |
| C07 | N06 | C04 | C14 | 166.6° | 179.7° |
| C07 | N06 | C04 | O05 | 178.9° | 179.9° |
| C07 | N06 | C14 | C09 | 3.9° | 0.0° |
| C07 | N06 | C14 | C13 | 171.2° | 180.0° |
| N06 | C07 | C08 | H7 | 169.6° | 180.0° |
| C04 | C03 | O02 | H4 | 119.5° | 120.0° |
| C04 | C03 | O02 | H5 | 119.6° | 120.0° |
| C03 | C04 | N06 | O05 | 176.0° | 180.0° |
| C03 | C04 | N06 | C14 | 171.7° | 179.7° |
| C04 | C03 | O02 | C01 | 165.0° | 180.0° |
| C04 | C03 | H4 | H5 | 121.3° | 120.0° |
| O02 | C03 | C04 | N06 | 173.1° | 180.0° |
| O02 | C03 | C04 | O05 | 11.1° | 0.0° |
| C03 | O02 | C01 | H1 | 180.0° | 60.0° |
| C03 | O02 | C01 | H2 | 60.0° | 180.0° |
| C03 | O02 | C01 | H3 | 60.0° | 60.0° |
| O02 | C03 | H4 | H5 | 121.3° | 119.9° |
| C04 | N06 | C14 | C09 | 172.2° | 179.7° |
| C04 | N06 | C14 | C13 | 2.9° | 0.3° |
| N06 | C04 | C03 | H4 | 67.3° | 60.0° |
| N06 | C04 | C03 | H5 | 53.5° | 60.0° |
| C04 | N06 | C07 | H6 | 2.2° | 0.0° |
| C14 | N06 | C04 | O05 | 12.3° | 0.3° |
| N06 | C14 | C09 | C13 | 175.7° | 180.0° |
| N06 | C14 | C09 | C10 | 174.5° | 180.0° |
| N06 | C14 | C13 | C12 | 172.7° | 180.0° |
| C14 | N06 | C07 | H6 | 170.8° | 179.7° |
| N06 | C14 | C13 | H10 | 7.3° | 0.0° |
| O05 | C04 | C03 | H4 | 108.5° | 120.0° |
| O05 | C04 | C03 | H5 | 130.7° | 120.0° |
| C14 | C09 | C10 | CL15 | 179.9° | 179.9° |
| C14 | C09 | C10 | C11 | 0.9° | 0.0° |
| C09 | C14 | C13 | C12 | 2.0° | 0.0° |
| C14 | C09 | C08 | H7 | 171.7° | 180.0° |
| C09 | C14 | C13 | H10 | 178.1° | 180.0° |
| C09 | C10 | CL15 | C11 | 179.2° | 179.9° |
| C10 | C09 | C14 | C13 | 1.3° | 0.0° |
| C09 | C10 | C11 | C12 | 1.1° | 0.1° |
| C10 | C09 | C08 | H7 | 11.4° | 0.0° |
| C09 | C10 | C11 | H8 | 179.0° | 180.0° |
| O02 | C01 | H1 | H2 | 120.0° | 120.0° |
| O02 | C01 | H1 | H3 | 120.0° | 120.0° |
| O02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | O02 | C03 | H4 | 75.4° | 60.0° |
| C01 | O02 | C03 | H5 | 45.5° | 60.0° |
| CL15 | C10 | C11 | C12 | 179.8° | 180.0° |
| CL15 | C10 | C11 | H8 | 0.2° | 0.1° |
| C14 | C13 | C12 | H10 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 2.2° | 0.1° |
| C14 | C13 | C12 | H9 | 177.8° | 180.0° |
| C10 | C11 | C12 | C13 | 1.8° | 0.1° |
| C10 | C11 | C12 | H8 | 180.0° | 179.9° |
| C10 | C11 | C12 | H9 | 178.2° | 180.0° |
| C13 | C12 | C11 | H9 | 180.0° | 179.9° |
| C13 | C12 | C11 | H8 | 178.2° | 180.0° |
| C11 | C12 | C13 | H10 | 177.8° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H6 | C07 | C08 | H7 | 10.4° | 0.3° |
| H8 | C11 | C12 | H9 | 1.8° | 0.1° |
| H9 | C12 | C13 | H10 | 2.2° | 0.1° |
