GG5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C6 | doub | 1.38Å | 1.45Å | |
| C1 | N2 | sing | 1.35Å | 1.40Å | |
| C1 | H1 | sing | 1.09Å | 1.08Å | |
| N2 | C3 | doub | 1.35Å | 1.38Å | |
| C3 | C4 | sing | 1.39Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.08Å | |
| C4 | C5 | doub | 1.39Å | 1.47Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.39Å | 1.47Å | |
| C5 | C7 | sing | 1.43Å | 1.54Å | |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| C7 | C12 | sing | 1.41Å | 1.46Å | |
| C7 | C8 | doub | 1.37Å | 1.42Å | |
| C8 | N9 | sing | 1.36Å | 1.34Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N9 | N11 | sing | 1.34Å | 1.33Å | |
| N9 | HN9 | sing | 1.01Å | 1.00Å | |
| N11 | C12 | doub | 1.34Å | 1.35Å | |
| C12 | C13 | sing | 1.44Å | 1.68Å | |
| C13 | C14 | doub | 1.39Å | 1.45Å | |
| C13 | C18 | sing | 1.40Å | 1.48Å | |
| C14 | C15 | sing | 1.39Å | 1.45Å | |
| C14 | H14 | sing | 1.09Å | 1.08Å | |
| C15 | C16 | doub | 1.40Å | 1.46Å | |
| C15 | H15 | sing | 1.09Å | 1.08Å | |
| C16 | F19 | sing | 1.34Å | 1.30Å | |
| C16 | C17 | sing | 1.39Å | 1.44Å | |
| C17 | C18 | doub | 1.39Å | 1.44Å | |
| C17 | H17 | sing | 1.09Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | N2 | 123.2° | 124.1° |
| C6 | C1 | H1 | 118.4° | 120.8° |
| C1 | C6 | C5 | 120.2° | 118.1° |
| C1 | C6 | H6 | 119.9° | 120.2° |
| N2 | C1 | H1 | 118.4° | 115.2° |
| C1 | N2 | C3 | 119.1° | 116.4° |
| N2 | C3 | C4 | 122.4° | 124.0° |
| N2 | C3 | H3 | 118.8° | 115.2° |
| C4 | C3 | H3 | 118.8° | 120.8° |
| C3 | C4 | C5 | 118.0° | 118.0° |
| C3 | C4 | H4 | 121.0° | 120.2° |
| C5 | C4 | H4 | 121.0° | 121.7° |
| C4 | C5 | C6 | 117.2° | 119.4° |
| C4 | C5 | C7 | 120.3° | 120.3° |
| C6 | C5 | C7 | 122.5° | 120.3° |
| C5 | C6 | H6 | 119.9° | 121.7° |
| C5 | C7 | C12 | 134.4° | 131.8° |
| C5 | C7 | C8 | 122.4° | 123.5° |
| C12 | C7 | C8 | 103.2° | 104.6° |
| C7 | C12 | N11 | 108.8° | 112.4° |
| C7 | C12 | C13 | 128.4° | 127.4° |
| C7 | C8 | N9 | 107.7° | 105.9° |
| C7 | C8 | H8 | 126.2° | 132.8° |
| N9 | C8 | H8 | 126.1° | 121.4° |
| C8 | N9 | N11 | 112.4° | 113.8° |
| C8 | N9 | HN9 | 123.8° | 127.9° |
| N11 | N9 | HN9 | 123.8° | 118.3° |
| N9 | N11 | C12 | 107.8° | 103.3° |
| N11 | C12 | C13 | 122.8° | 120.3° |
| C12 | C13 | C14 | 129.7° | 120.0° |
| C12 | C13 | C18 | 112.0° | 120.0° |
| C14 | C13 | C18 | 118.3° | 120.0° |
| C13 | C14 | C15 | 120.6° | 120.0° |
| C13 | C14 | H14 | 119.7° | 120.9° |
| C13 | C18 | C17 | 121.5° | 120.0° |
| C13 | C18 | H18 | 119.2° | 120.9° |
| C15 | C14 | H14 | 119.7° | 119.1° |
| C14 | C15 | C16 | 119.5° | 120.0° |
| C14 | C15 | H15 | 120.2° | 120.0° |
| C16 | C15 | H15 | 120.3° | 120.0° |
| C15 | C16 | F19 | 119.0° | 120.0° |
| C15 | C16 | C17 | 121.1° | 120.0° |
| F19 | C16 | C17 | 119.8° | 120.0° |
| C16 | C17 | C18 | 119.0° | 120.0° |
| C16 | C17 | H17 | 120.5° | 120.0° |
| C18 | C17 | H17 | 120.5° | 120.0° |
| C17 | C18 | H18 | 119.3° | 119.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | N2 | H1 | 180.0° | 179.8° |
| C6 | C1 | N2 | C3 | 0.0° | 0.1° |
| C1 | C6 | C5 | C4 | 0.0° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | C7 | 180.0° | 179.9° |
| C1 | N2 | C3 | C4 | 0.0° | 0.1° |
| C1 | N2 | C3 | H3 | 180.0° | 179.9° |
| N2 | C1 | C6 | C5 | 0.0° | 0.1° |
| N2 | C1 | C6 | H6 | 180.0° | 180.0° |
| H1 | C1 | N2 | C3 | 180.0° | 179.9° |
| H1 | C1 | C6 | C5 | 180.0° | 179.9° |
| H1 | C1 | C6 | H6 | 0.1° | 0.2° |
| N2 | C3 | C4 | H3 | 180.0° | 180.0° |
| N2 | C3 | C4 | C5 | 0.0° | 0.0° |
| N2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C5 | C7 | 180.0° | 180.0° |
| H3 | C3 | C4 | C5 | 180.0° | 180.0° |
| H3 | C3 | C4 | H4 | 0.0° | 0.0° |
| C4 | C5 | C6 | C7 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C4 | C5 | C7 | C12 | 143.4° | 90.0° |
| C4 | C5 | C7 | C8 | 36.9° | 90.0° |
| H4 | C4 | C5 | C6 | 180.0° | 180.0° |
| H4 | C4 | C5 | C7 | 0.0° | 0.0° |
| C6 | C5 | C7 | C12 | 36.6° | 90.0° |
| C6 | C5 | C7 | C8 | 143.1° | 90.0° |
| C7 | C5 | C6 | H6 | 0.1° | 0.0° |
| C5 | C7 | C12 | C8 | 179.7° | 179.9° |
| C5 | C7 | C8 | N9 | 179.8° | 179.9° |
| C5 | C7 | C8 | H8 | 0.2° | 0.0° |
| C5 | C7 | C12 | N11 | 179.7° | 179.9° |
| C5 | C7 | C12 | C13 | 0.2° | 0.1° |
| C12 | C7 | C8 | N9 | 0.0° | 0.0° |
| C12 | C7 | C8 | H8 | 180.0° | 179.9° |
| C7 | C12 | N11 | N9 | 0.1° | 0.0° |
| C7 | C12 | N11 | C13 | 179.8° | 180.0° |
| C7 | C12 | C13 | C14 | 126.1° | 90.0° |
| C7 | C12 | C13 | C18 | 54.1° | 90.0° |
| C7 | C8 | N9 | H8 | 180.0° | 179.9° |
| C7 | C8 | N9 | N11 | 0.0° | 0.0° |
| C7 | C8 | N9 | HN9 | 180.0° | 180.0° |
| C8 | C7 | C12 | N11 | 0.1° | 0.0° |
| C8 | C7 | C12 | C13 | 179.9° | 180.0° |
| C8 | N9 | N11 | HN9 | 180.0° | 180.0° |
| C8 | N9 | N11 | C12 | 0.1° | 0.0° |
| H8 | C8 | N9 | N11 | 179.9° | 180.0° |
| H8 | C8 | N9 | HN9 | 0.1° | 0.0° |
| N9 | N11 | C12 | C13 | 179.9° | 180.0° |
| HN9 | N9 | N11 | C12 | 179.9° | 180.0° |
| N11 | C12 | C13 | C14 | 53.7° | 90.0° |
| N11 | C12 | C13 | C18 | 126.1° | 90.0° |
| C12 | C13 | C14 | C18 | 179.8° | 179.9° |
| C12 | C13 | C14 | C15 | 179.7° | 180.0° |
| C12 | C13 | C14 | H14 | 0.3° | 0.0° |
| C12 | C13 | C18 | C17 | 179.7° | 180.0° |
| C12 | C13 | C18 | H18 | 0.3° | 0.1° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.0° | 0.0° |
| C13 | C14 | C15 | H15 | 180.0° | 179.9° |
| C14 | C13 | C18 | C17 | 0.1° | 0.1° |
| C14 | C13 | C18 | H18 | 179.9° | 180.0° |
| C18 | C13 | C14 | C15 | 0.1° | 0.0° |
| C18 | C13 | C14 | H14 | 179.9° | 179.9° |
| C13 | C18 | C17 | C16 | 0.0° | 0.1° |
| C13 | C18 | C17 | H18 | 180.0° | 179.9° |
| C13 | C18 | C17 | H17 | 180.0° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | F19 | 179.8° | 180.0° |
| C14 | C15 | C16 | C17 | 0.2° | 0.0° |
| H14 | C14 | C15 | C16 | 179.9° | 180.0° |
| H14 | C14 | C15 | H15 | 0.1° | 0.1° |
| C15 | C16 | F19 | C17 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.0° |
| C15 | C16 | C17 | H17 | 179.8° | 180.0° |
| H15 | C15 | C16 | F19 | 0.2° | 0.0° |
| H15 | C15 | C16 | C17 | 179.8° | 179.9° |
| F19 | C16 | C17 | C18 | 179.8° | 180.0° |
| F19 | C16 | C17 | H17 | 0.2° | 0.0° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | H18 | 180.0° | 180.0° |
| H17 | C17 | C18 | H18 | 0.0° | 0.0° |
