UG0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F14 | C13 | sing | 1.35Å | 1.35Å | |
| C13 | N12 | doub | 1.32Å | 1.31Å | Aromatic |
| C13 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| N12 | C11 | sing | 1.32Å | 1.33Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.36Å | Aromatic |
| C11 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C16 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | C08 | sing | 1.48Å | 1.54Å | |
| N07 | C08 | sing | 1.35Å | 1.49Å | |
| N07 | C06 | sing | 1.47Å | 1.47Å | |
| C08 | O09 | doub | 1.22Å | 1.20Å | |
| C06 | C05 | sing | 1.51Å | 1.51Å | |
| C05 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C02 | doub | 1.38Å | 1.40Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.37Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.55Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.08Å | 1.08Å | |
| C04 | H7 | sing | 1.08Å | 1.08Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| N07 | H10 | sing | 0.97Å | 1.00Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F14 | C13 | N12 | 119.3° | 119.5° |
| F14 | C13 | C15 | 115.8° | 119.5° |
| N12 | C13 | C15 | 124.6° | 121.0° |
| C13 | N12 | C11 | 119.3° | 121.8° |
| C13 | C15 | C16 | 117.6° | 119.3° |
| C13 | C15 | H1 | 121.2° | 120.3° |
| N12 | C11 | C10 | 120.0° | 120.6° |
| N12 | C11 | H11 | 120.0° | 119.6° |
| C15 | C16 | C10 | 117.8° | 118.3° |
| C16 | C15 | H1 | 121.2° | 120.4° |
| C15 | C16 | H12 | 121.1° | 120.8° |
| C11 | C10 | C16 | 120.7° | 118.9° |
| C11 | C10 | C08 | 120.6° | 120.5° |
| C10 | C11 | H11 | 120.0° | 119.7° |
| C16 | C10 | C08 | 118.8° | 120.6° |
| C10 | C16 | H12 | 121.1° | 120.8° |
| C10 | C08 | N07 | 115.6° | 120.0° |
| C10 | C08 | O09 | 120.6° | 119.9° |
| C08 | N07 | C06 | 118.7° | 120.0° |
| N07 | C08 | O09 | 123.7° | 120.0° |
| C08 | N07 | H10 | 120.7° | 120.0° |
| N07 | C06 | C05 | 110.0° | 109.5° |
| N07 | C06 | H8 | 109.3° | 109.5° |
| N07 | C06 | H9 | 109.3° | 109.5° |
| C06 | N07 | H10 | 120.7° | 120.0° |
| C06 | C05 | C17 | 119.8° | 120.0° |
| C06 | C05 | C04 | 118.7° | 120.0° |
| C05 | C06 | H8 | 109.3° | 109.4° |
| C05 | C06 | H9 | 109.3° | 109.4° |
| C17 | C05 | C04 | 121.4° | 120.0° |
| C05 | C17 | C18 | 118.5° | 120.0° |
| C05 | C17 | H2 | 120.8° | 120.0° |
| C05 | C04 | C03 | 118.9° | 120.0° |
| C05 | C04 | H7 | 120.5° | 120.0° |
| C17 | C18 | C02 | 120.7° | 120.1° |
| C18 | C17 | H2 | 120.7° | 120.1° |
| C17 | C18 | H13 | 119.6° | 120.0° |
| C04 | C03 | C02 | 120.6° | 120.0° |
| C04 | C03 | H6 | 119.7° | 120.0° |
| C03 | C04 | H7 | 120.6° | 120.0° |
| C18 | C02 | C03 | 119.7° | 120.0° |
| C18 | C02 | C01 | 120.5° | 120.0° |
| C02 | C18 | H13 | 119.6° | 120.0° |
| C03 | C02 | C01 | 119.8° | 120.0° |
| C02 | C03 | H6 | 119.7° | 120.0° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.4° |
| H3 | C01 | H4 | 109.4° | 109.5° |
| H3 | C01 | H5 | 109.5° | 109.4° |
| H4 | C01 | H5 | 109.4° | 109.4° |
| H8 | C06 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F14 | C13 | N12 | C15 | 173.6° | 179.8° |
| F14 | C13 | N12 | C11 | 175.4° | 179.9° |
| F14 | C13 | C15 | C16 | 176.8° | 180.0° |
| F14 | C13 | C15 | H1 | 3.2° | 0.3° |
| N12 | C13 | C15 | C16 | 2.9° | 0.2° |
| C13 | N12 | C11 | C10 | 0.2° | 0.1° |
| N12 | C13 | C15 | H1 | 177.1° | 180.0° |
| C13 | N12 | C11 | H11 | 179.8° | 180.0° |
| C15 | C13 | N12 | C11 | 1.8° | 0.3° |
| C13 | C15 | C16 | H1 | 180.0° | 179.7° |
| C13 | C15 | C16 | C10 | 2.0° | 0.0° |
| C13 | C15 | C16 | H12 | 178.0° | 180.0° |
| N12 | C11 | C10 | H11 | 180.0° | 179.9° |
| N12 | C11 | C10 | C16 | 0.9° | 0.2° |
| N12 | C11 | C10 | C08 | 179.6° | 180.0° |
| C15 | C16 | C10 | C11 | 0.2° | 0.3° |
| C15 | C16 | C10 | H12 | 180.0° | 180.0° |
| C15 | C16 | C10 | C08 | 179.2° | 180.0° |
| C11 | C10 | C16 | C08 | 179.4° | 179.8° |
| C11 | C10 | C08 | N07 | 154.9° | 0.0° |
| C11 | C10 | C08 | O09 | 22.0° | 179.9° |
| C11 | C10 | C16 | H12 | 179.8° | 179.8° |
| C16 | C10 | C08 | N07 | 24.5° | 179.7° |
| C16 | C10 | C08 | O09 | 158.6° | 0.3° |
| C10 | C16 | C15 | H1 | 178.0° | 179.7° |
| C16 | C10 | C11 | H11 | 179.0° | 179.7° |
| C10 | C08 | N07 | O09 | 176.8° | 180.0° |
| C10 | C08 | N07 | C06 | 177.8° | 180.0° |
| C10 | C08 | N07 | H10 | 2.2° | 0.0° |
| C08 | C10 | C11 | H11 | 0.4° | 0.1° |
| C08 | C10 | C16 | H12 | 0.8° | 0.0° |
| C08 | N07 | C06 | H10 | 180.0° | 180.0° |
| C08 | N07 | C06 | C05 | 88.1° | 180.0° |
| C08 | N07 | C06 | H8 | 32.0° | 60.0° |
| C08 | N07 | C06 | H9 | 151.9° | 60.0° |
| C06 | N07 | C08 | O09 | 1.0° | 0.0° |
| N07 | C06 | C05 | H8 | 120.1° | 120.0° |
| N07 | C06 | C05 | H9 | 120.1° | 120.0° |
| N07 | C06 | C05 | C17 | 16.8° | 90.0° |
| N07 | C06 | C05 | C04 | 160.1° | 90.0° |
| N07 | C06 | H8 | H9 | 119.7° | 120.1° |
| O09 | C08 | N07 | H10 | 179.0° | 180.0° |
| C06 | C05 | C17 | C04 | 176.9° | 180.0° |
| C06 | C05 | C17 | C18 | 177.6° | 180.0° |
| C06 | C05 | C04 | C03 | 178.0° | 179.5° |
| C06 | C05 | C17 | H2 | 2.5° | 0.3° |
| C06 | C05 | C04 | H7 | 2.0° | 0.3° |
| C05 | C06 | H8 | H9 | 119.7° | 119.9° |
| C05 | C06 | N07 | H10 | 91.9° | 0.0° |
| C05 | C17 | C18 | H2 | 180.0° | 179.7° |
| C17 | C05 | C04 | C03 | 1.1° | 0.6° |
| C05 | C17 | C18 | C02 | 1.6° | 0.3° |
| C17 | C05 | C04 | H7 | 178.9° | 179.7° |
| C17 | C05 | C06 | H8 | 136.9° | 150.0° |
| C17 | C05 | C06 | H9 | 103.3° | 30.0° |
| C05 | C17 | C18 | H13 | 178.4° | 179.7° |
| C04 | C05 | C17 | C18 | 0.7° | 0.0° |
| C05 | C04 | C03 | H7 | 180.0° | 179.2° |
| C05 | C04 | C03 | C02 | 0.7° | 0.8° |
| C04 | C05 | C17 | H2 | 179.3° | 179.7° |
| C05 | C04 | C03 | H6 | 179.2° | 179.8° |
| C04 | C05 | C06 | H8 | 40.0° | 30.0° |
| C04 | C05 | C06 | H9 | 79.8° | 150.0° |
| C17 | C18 | C02 | H13 | 180.0° | 180.0° |
| C17 | C18 | C02 | C03 | 3.4° | 0.1° |
| C17 | C18 | C02 | C01 | 178.0° | 179.9° |
| C04 | C03 | C02 | C18 | 3.0° | 0.5° |
| C04 | C03 | C02 | H6 | 180.0° | 179.4° |
| C04 | C03 | C02 | C01 | 178.4° | 179.4° |
| C18 | C02 | C03 | C01 | 178.6° | 179.9° |
| C02 | C18 | C17 | H2 | 178.4° | 180.0° |
| C18 | C02 | C01 | H3 | 89.3° | 89.9° |
| C18 | C02 | C01 | H4 | 150.7° | 30.1° |
| C18 | C02 | C01 | H5 | 30.7° | 150.1° |
| C18 | C02 | C03 | H6 | 177.0° | 179.9° |
| C03 | C02 | C01 | H3 | 89.3° | 89.9° |
| C03 | C02 | C01 | H4 | 30.7° | 150.0° |
| C03 | C02 | C01 | H5 | 150.7° | 30.0° |
| C02 | C03 | C04 | H7 | 179.3° | 180.0° |
| C03 | C02 | C18 | H13 | 176.5° | 180.0° |
| C02 | C01 | H3 | H4 | 120.0° | 120.1° |
| C02 | C01 | H3 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C01 | C02 | C03 | H6 | 1.6° | 0.0° |
| C01 | C02 | C18 | H13 | 2.0° | 0.1° |
| H1 | C15 | C16 | H12 | 2.0° | 0.2° |
| H2 | C17 | C18 | H13 | 1.6° | 0.0° |
| H3 | C01 | H4 | H5 | 120.0° | 119.9° |
| H6 | C03 | C04 | H7 | 0.8° | 0.6° |
| H8 | C06 | N07 | H10 | 148.0° | 120.0° |
| H9 | C06 | N07 | H10 | 28.1° | 120.0° |
