VOF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | doub | 0.00Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 0.00Å | 1.37Å | Aromatic |
| C15 | C16 | sing | 0.00Å | 1.37Å | Aromatic |
| C13 | C12 | doub | 0.00Å | 1.39Å | Aromatic |
| C16 | C11 | doub | 0.00Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 0.00Å | 1.38Å | Aromatic |
| C11 | C09 | sing | 0.00Å | 1.53Å | |
| F01 | C02 | sing | 0.00Å | 1.36Å | |
| C09 | C02 | sing | 0.00Å | 1.54Å | |
| C09 | O10 | doub | 0.00Å | 1.23Å | |
| C02 | N03 | sing | 0.00Å | 1.43Å | |
| N03 | C04 | sing | 0.00Å | 1.47Å | Aromatic |
| N03 | N08 | sing | 0.00Å | 1.41Å | Aromatic |
| C04 | N05 | doub | 0.00Å | 1.44Å | Aromatic |
| N08 | C07 | doub | 0.00Å | 1.46Å | Aromatic |
| N05 | C07 | sing | 0.00Å | 1.43Å | Aromatic |
| N05 | F06 | sing | 0.00Å | 1.40Å | |
| C13 | H1 | sing | 0.00Å | 1.08Å | |
| C15 | H2 | sing | 0.00Å | 1.08Å | |
| C02 | H3 | sing | 0.00Å | 1.10Å | |
| C04 | H4 | sing | 0.00Å | 1.08Å | |
| C07 | H5 | sing | 0.00Å | 1.08Å | |
| C12 | H6 | sing | 0.00Å | 1.08Å | |
| C14 | H7 | sing | 0.00Å | 1.08Å | |
| C16 | H8 | sing | 0.00Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C13 | 120.0° | 90.0° |
| C14 | C15 | C16 | 120.3° | 90.0° |
| C14 | C15 | H2 | 119.9° | 90.0° |
| C15 | C14 | H7 | 120.0° | 90.0° |
| C14 | C13 | C12 | 119.7° | 90.0° |
| C14 | C13 | H1 | 120.2° | 90.0° |
| C13 | C14 | H7 | 120.0° | 90.0° |
| C15 | C16 | C11 | 119.7° | 90.0° |
| C16 | C15 | H2 | 119.8° | 90.0° |
| C15 | C16 | H8 | 120.1° | 90.0° |
| C13 | C12 | C11 | 120.0° | 90.0° |
| C12 | C13 | H1 | 120.2° | 90.0° |
| C13 | C12 | H6 | 120.0° | 90.0° |
| C16 | C11 | C12 | 120.2° | 90.0° |
| C16 | C11 | C09 | 119.7° | 90.0° |
| C11 | C16 | H8 | 120.1° | 90.0° |
| C12 | C11 | C09 | 120.0° | 90.0° |
| C11 | C12 | H6 | 120.0° | 90.0° |
| C11 | C09 | C02 | 123.2° | 90.0° |
| C11 | C09 | O10 | 116.2° | 90.0° |
| F01 | C02 | C09 | 112.8° | 90.0° |
| F01 | C02 | N03 | 108.6° | 90.0° |
| F01 | C02 | H3 | 109.6° | 90.0° |
| C02 | C09 | O10 | 120.6° | 90.0° |
| C09 | C02 | N03 | 109.8° | 90.0° |
| C09 | C02 | H3 | 107.3° | 90.0° |
| C02 | N03 | C04 | 125.1° | 90.0° |
| C02 | N03 | N08 | 126.7° | 90.0° |
| N03 | C02 | H3 | 108.5° | 90.0° |
| C04 | N03 | N08 | 108.1° | 90.0° |
| N03 | C04 | N05 | 107.5° | 90.0° |
| N03 | C04 | H4 | 126.3° | 90.0° |
| N03 | N08 | C07 | 108.3° | 90.0° |
| C04 | N05 | C07 | 108.1° | 90.0° |
| C04 | N05 | F06 | 126.1° | 90.0° |
| N05 | C04 | H4 | 126.2° | 90.0° |
| N08 | C07 | N05 | 108.0° | 90.0° |
| N08 | C07 | H5 | 126.0° | 90.0° |
| C07 | N05 | F06 | 125.8° | 90.0° |
| N05 | C07 | H5 | 126.0° | 90.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C13 | H7 | 180.0° | 90.0° |
| C14 | C15 | C16 | H2 | 180.0° | 90.0° |
| C15 | C14 | C13 | C12 | 0.1° | 90.0° |
| C14 | C15 | C16 | C11 | 0.5° | 90.0° |
| C15 | C14 | C13 | H1 | 179.9° | 90.0° |
| C14 | C15 | C16 | H8 | 179.5° | 90.0° |
| C13 | C14 | C15 | C16 | 0.1° | 90.0° |
| C14 | C13 | C12 | H1 | 180.0° | 90.0° |
| C14 | C13 | C12 | C11 | 0.5° | 90.0° |
| C13 | C14 | C15 | H2 | 180.0° | 90.0° |
| C14 | C13 | C12 | H6 | 179.5° | 90.0° |
| C15 | C16 | C11 | H8 | 180.0° | 90.0° |
| C15 | C16 | C11 | C12 | 1.0° | 90.0° |
| C15 | C16 | C11 | C09 | 179.4° | 90.0° |
| C16 | C15 | C14 | H7 | 180.0° | 90.0° |
| C13 | C12 | C11 | C16 | 1.0° | 90.0° |
| C13 | C12 | C11 | H6 | 180.0° | 90.0° |
| C13 | C12 | C11 | C09 | 179.3° | 90.0° |
| C12 | C13 | C14 | H7 | 180.0° | 90.0° |
| C16 | C11 | C12 | C09 | 178.3° | 90.0° |
| C16 | C11 | C09 | C02 | 91.6° | 90.0° |
| C16 | C11 | C09 | O10 | 89.6° | 90.0° |
| C11 | C16 | C15 | H2 | 179.5° | 90.0° |
| C16 | C11 | C12 | H6 | 179.0° | 90.0° |
| C12 | C11 | C09 | C02 | 90.0° | 90.0° |
| C12 | C11 | C09 | O10 | 88.7° | 90.0° |
| C11 | C12 | C13 | H1 | 179.5° | 90.0° |
| C12 | C11 | C16 | H8 | 178.9° | 90.0° |
| C11 | C09 | C02 | F01 | 58.9° | 90.0° |
| C11 | C09 | C02 | O10 | 178.7° | 90.0° |
| C11 | C09 | C02 | N03 | 179.8° | 90.0° |
| C11 | C09 | C02 | H3 | 62.0° | 90.0° |
| C09 | C11 | C12 | H6 | 0.7° | 90.0° |
| C09 | C11 | C16 | H8 | 0.6° | 90.0° |
| F01 | C02 | C09 | N03 | 121.3° | 90.0° |
| F01 | C02 | C09 | H3 | 120.9° | 90.0° |
| F01 | C02 | C09 | O10 | 122.4° | 90.0° |
| F01 | C02 | N03 | H3 | 119.2° | 90.0° |
| F01 | C02 | N03 | C04 | 23.6° | 90.0° |
| F01 | C02 | N03 | N08 | 156.8° | 90.0° |
| C09 | C02 | N03 | H3 | 117.0° | 90.0° |
| C09 | C02 | N03 | C04 | 147.5° | 90.0° |
| C09 | C02 | N03 | N08 | 33.0° | 90.0° |
| O10 | C09 | C02 | N03 | 1.1° | 90.0° |
| O10 | C09 | C02 | H3 | 116.7° | 90.0° |
| C02 | N03 | C04 | N08 | 179.6° | 90.0° |
| C02 | N03 | C04 | N05 | 179.8° | 90.0° |
| C02 | N03 | N08 | C07 | 179.7° | 90.0° |
| C02 | N03 | C04 | H4 | 0.3° | 90.0° |
| N03 | C04 | N05 | H4 | 180.0° | 90.0° |
| C04 | N03 | N08 | C07 | 0.1° | 90.0° |
| N03 | C04 | N05 | C07 | 0.1° | 90.0° |
| N03 | C04 | N05 | F06 | 180.0° | 90.0° |
| C04 | N03 | C02 | H3 | 95.5° | 90.0° |
| N08 | N03 | C04 | N05 | 0.1° | 90.0° |
| N03 | N08 | C07 | N05 | 0.0° | 90.0° |
| N08 | N03 | C02 | H3 | 84.0° | 90.0° |
| N08 | N03 | C04 | H4 | 179.9° | 90.0° |
| N03 | N08 | C07 | H5 | 180.0° | 90.0° |
| C04 | N05 | C07 | N08 | 0.0° | 90.0° |
| C04 | N05 | C07 | F06 | 179.9° | 90.0° |
| C04 | N05 | C07 | H5 | 180.0° | 90.0° |
| N08 | C07 | N05 | H5 | 180.0° | 90.0° |
| N08 | C07 | N05 | F06 | 179.9° | 90.0° |
| C07 | N05 | C04 | H4 | 179.9° | 90.0° |
| F06 | N05 | C04 | H4 | 0.0° | 90.0° |
| F06 | N05 | C07 | H5 | 0.0° | 90.0° |
| H1 | C13 | C12 | H6 | 0.5° | 90.0° |
| H1 | C13 | C14 | H7 | 0.0° | 90.0° |
| H2 | C15 | C14 | H7 | 0.0° | 90.0° |
| H2 | C15 | C16 | H8 | 0.5° | 90.0° |
