VMK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F01 | C11 | sing | 1.35Å | 1.36Å | |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.39Å | 1.38Å | Aromatic |
| N01 | C08 | sing | 1.47Å | 1.45Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.38Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C05 | sing | 1.48Å | 1.53Å | |
| C09 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.53Å | 1.53Å | |
| C05 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | C07 | sing | 1.51Å | 1.53Å | |
| C02 | C01 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C01 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.08Å | 1.08Å | |
| N01 | H4 | sing | 1.01Å | 1.00Å | |
| N01 | H5 | sing | 1.01Å | 1.00Å | |
| C03 | H7 | sing | 1.08Å | 1.08Å | |
| C04 | H8 | sing | 1.08Å | 1.08Å | |
| C06 | H9 | sing | 1.08Å | 1.08Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F01 | C11 | C10 | 120.0° | 119.9° |
| F01 | C11 | C12 | 120.0° | 120.0° |
| C10 | C11 | C12 | 120.0° | 120.1° |
| C11 | C10 | C09 | 120.0° | 119.8° |
| C11 | C10 | H1 | 120.0° | 120.1° |
| C11 | C12 | C13 | 120.0° | 120.2° |
| C11 | C12 | H14 | 120.0° | 119.9° |
| C10 | C09 | C05 | 119.9° | 120.1° |
| C10 | C09 | C14 | 120.0° | 119.8° |
| C09 | C10 | H1 | 120.0° | 120.1° |
| N01 | C08 | C07 | 109.5° | 109.5° |
| C08 | N01 | H4 | 109.5° | 111.0° |
| C08 | N01 | H5 | 109.5° | 111.0° |
| N01 | C08 | H12 | 109.5° | 109.4° |
| N01 | C08 | H13 | 109.5° | 109.4° |
| C12 | C13 | C14 | 120.0° | 120.1° |
| C12 | C13 | H2 | 120.0° | 119.9° |
| C13 | C12 | H14 | 120.0° | 119.9° |
| C03 | C04 | C05 | 120.0° | 119.9° |
| C04 | C03 | C02 | 120.0° | 120.2° |
| C04 | C03 | H7 | 120.0° | 119.9° |
| C03 | C04 | H8 | 120.0° | 120.1° |
| C04 | C05 | C09 | 119.9° | 120.1° |
| C04 | C05 | C06 | 120.0° | 119.7° |
| C05 | C04 | H8 | 120.0° | 120.0° |
| C03 | C02 | C07 | 120.0° | 119.9° |
| C03 | C02 | C01 | 120.0° | 120.2° |
| C02 | C03 | H7 | 120.0° | 120.0° |
| C05 | C09 | C14 | 120.1° | 120.1° |
| C09 | C05 | C06 | 120.0° | 120.1° |
| C09 | C14 | C13 | 120.0° | 119.9° |
| C09 | C14 | H15 | 120.0° | 120.0° |
| C08 | C07 | C02 | 109.4° | 109.4° |
| C08 | C07 | H10 | 109.5° | 109.4° |
| C08 | C07 | H11 | 109.5° | 109.4° |
| C07 | C08 | H12 | 109.5° | 109.5° |
| C07 | C08 | H13 | 109.5° | 109.5° |
| C05 | C06 | C01 | 120.0° | 119.8° |
| C05 | C06 | H9 | 120.0° | 120.0° |
| C14 | C13 | H2 | 120.0° | 119.9° |
| C13 | C14 | H15 | 120.0° | 120.1° |
| C07 | C02 | C01 | 120.1° | 119.8° |
| C02 | C07 | H10 | 109.5° | 109.5° |
| C02 | C07 | H11 | 109.5° | 109.6° |
| C02 | C01 | C06 | 120.0° | 120.2° |
| C02 | C01 | H3 | 120.0° | 119.9° |
| C06 | C01 | H3 | 120.0° | 119.9° |
| C01 | C06 | H9 | 120.0° | 120.1° |
| H4 | N01 | H5 | 109.5° | 111.0° |
| H10 | C07 | H11 | 109.5° | 109.5° |
| H12 | C08 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F01 | C11 | C10 | C12 | 180.0° | 180.0° |
| F01 | C11 | C10 | C09 | 180.0° | 180.0° |
| F01 | C11 | C12 | C13 | 180.0° | 180.0° |
| F01 | C11 | C10 | H1 | 0.0° | 0.3° |
| F01 | C11 | C12 | H14 | 0.0° | 0.0° |
| C11 | C10 | C09 | H1 | 180.0° | 179.7° |
| C10 | C11 | C12 | C13 | 0.0° | 0.0° |
| C11 | C10 | C09 | C05 | 180.0° | 179.7° |
| C11 | C10 | C09 | C14 | 0.0° | 0.3° |
| C10 | C11 | C12 | H14 | 180.0° | 180.0° |
| C12 | C11 | C10 | C09 | 0.0° | 0.0° |
| C11 | C12 | C13 | H14 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.0° | 0.3° |
| C12 | C11 | C10 | H1 | 180.0° | 179.7° |
| C11 | C12 | C13 | H2 | 180.0° | 179.7° |
| C10 | C09 | C05 | C04 | 60.0° | 180.0° |
| C10 | C09 | C05 | C14 | 180.0° | 180.0° |
| C10 | C09 | C05 | C06 | 120.0° | 0.2° |
| C10 | C09 | C14 | C13 | 0.0° | 0.6° |
| C10 | C09 | C14 | H15 | 180.0° | 180.0° |
| N01 | C08 | C07 | H12 | 120.0° | 120.0° |
| N01 | C08 | C07 | H13 | 120.0° | 120.0° |
| N01 | C08 | C07 | C02 | 91.2° | 180.0° |
| C08 | N01 | H4 | H5 | 120.0° | 124.0° |
| N01 | C08 | C07 | H10 | 148.8° | 60.0° |
| N01 | C08 | C07 | H11 | 28.8° | 60.0° |
| N01 | C08 | H12 | H13 | 120.0° | 120.0° |
| C12 | C13 | C14 | C09 | 0.0° | 0.6° |
| C12 | C13 | C14 | H2 | 180.0° | 179.5° |
| C12 | C13 | C14 | H15 | 180.0° | 179.9° |
| C03 | C04 | C05 | H8 | 180.0° | 179.9° |
| C04 | C03 | C02 | H7 | 180.0° | 179.9° |
| C03 | C04 | C05 | C09 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.0° | 0.3° |
| C04 | C03 | C02 | C07 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 0.0° | 0.1° |
| C05 | C04 | C03 | C02 | 0.0° | 0.1° |
| C04 | C05 | C09 | C06 | 180.0° | 179.8° |
| C04 | C05 | C09 | C14 | 120.0° | 0.0° |
| C04 | C05 | C06 | C01 | 0.0° | 0.5° |
| C05 | C04 | C03 | H7 | 180.0° | 180.0° |
| C04 | C05 | C06 | H9 | 180.0° | 180.0° |
| C03 | C02 | C07 | C08 | 13.9° | 90.0° |
| C03 | C02 | C07 | C01 | 180.0° | 179.9° |
| C03 | C02 | C01 | C06 | 0.1° | 0.3° |
| C03 | C02 | C01 | H3 | 179.9° | 180.0° |
| C02 | C03 | C04 | H8 | 180.0° | 180.0° |
| C03 | C02 | C07 | H10 | 106.1° | 29.8° |
| C03 | C02 | C07 | H11 | 133.9° | 150.0° |
| C05 | C09 | C14 | C13 | 180.0° | 179.4° |
| C09 | C05 | C06 | C01 | 180.0° | 179.7° |
| C05 | C09 | C10 | H1 | 0.0° | 0.0° |
| C09 | C05 | C04 | H8 | 0.0° | 0.0° |
| C09 | C05 | C06 | H9 | 0.1° | 0.2° |
| C05 | C09 | C14 | H15 | 0.0° | 0.0° |
| C14 | C09 | C05 | C06 | 60.0° | 179.8° |
| C09 | C14 | C13 | H15 | 180.0° | 179.4° |
| C14 | C09 | C10 | H1 | 180.0° | 180.0° |
| C09 | C14 | C13 | H2 | 180.0° | 180.0° |
| C08 | C07 | C02 | H10 | 120.0° | 119.9° |
| C08 | C07 | C02 | H11 | 120.0° | 120.0° |
| C08 | C07 | C02 | C01 | 166.2° | 90.1° |
| C07 | C08 | N01 | H4 | 180.0° | 180.0° |
| C07 | C08 | N01 | H5 | 60.0° | 56.0° |
| C08 | C07 | H10 | H11 | 120.0° | 120.0° |
| C07 | C08 | H12 | H13 | 120.0° | 120.0° |
| C05 | C06 | C01 | C02 | 0.1° | 0.5° |
| C05 | C06 | C01 | H9 | 180.0° | 179.6° |
| C05 | C06 | C01 | H3 | 179.9° | 179.8° |
| C06 | C05 | C04 | H8 | 180.0° | 179.8° |
| C14 | C13 | C12 | H14 | 180.0° | 179.7° |
| C07 | C02 | C01 | C06 | 180.0° | 179.8° |
| C07 | C02 | C01 | H3 | 0.0° | 0.1° |
| C07 | C02 | C03 | H7 | 0.0° | 0.1° |
| C02 | C07 | H10 | H11 | 120.0° | 120.1° |
| C02 | C07 | C08 | H12 | 28.8° | 60.0° |
| C02 | C07 | C08 | H13 | 148.8° | 60.1° |
| C02 | C01 | C06 | H3 | 180.0° | 179.7° |
| C01 | C02 | C03 | H7 | 180.0° | 180.0° |
| C02 | C01 | C06 | H9 | 179.9° | 179.9° |
| C01 | C02 | C07 | H10 | 73.9° | 150.1° |
| C01 | C02 | C07 | H11 | 46.2° | 29.9° |
| H2 | C13 | C12 | H14 | 0.0° | 0.2° |
| H2 | C13 | C14 | H15 | 0.0° | 0.6° |
| H3 | C01 | C06 | H9 | 0.1° | 0.2° |
| H4 | N01 | C08 | H12 | 60.0° | 60.0° |
| H4 | N01 | C08 | H13 | 60.0° | 60.0° |
| H5 | N01 | C08 | H12 | 60.0° | 64.0° |
| H5 | N01 | C08 | H13 | 180.0° | 176.0° |
| H7 | C03 | C04 | H8 | 0.0° | 0.1° |
| H10 | C07 | C08 | H12 | 91.2° | 59.9° |
| H10 | C07 | C08 | H13 | 28.8° | 180.0° |
| H11 | C07 | C08 | H12 | 148.8° | 179.9° |
| H11 | C07 | C08 | H13 | 91.2° | 60.0° |
