GF4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | O11 | doub | 1.22Å | 1.29Å | |
| C4 | C3 | sing | 1.41Å | 1.47Å | |
| C4 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C5 | C4 | doub | 1.35Å | 1.51Å | |
| C5 | N1 | sing | 1.37Å | 1.35Å | |
| C14 | C5 | sing | 1.51Å | 1.51Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| N1 | N2 | sing | 1.40Å | 1.40Å | |
| N2 | C3 | sing | 1.35Å | 1.32Å | |
| N2 | C6 | sing | 1.39Å | 1.33Å | |
| C6 | N7 | doub | 1.31Å | 1.34Å | Aromatic |
| N10 | C6 | sing | 1.35Å | 1.33Å | Aromatic |
| N10 | N9 | sing | 1.41Å | 1.40Å | Aromatic |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| N9 | N8 | doub | 1.29Å | 1.40Å | Aromatic |
| N8 | N7 | sing | 1.28Å | 1.40Å | Aromatic |
| N1 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C3 | C4 | 125.3° | 126.2° |
| O11 | C3 | N2 | 126.1° | 126.1° |
| C3 | C4 | C12 | 127.4° | 126.0° |
| C3 | C4 | C5 | 102.4° | 108.1° |
| C4 | C3 | N2 | 108.5° | 107.7° |
| C4 | C12 | C13 | 109.1° | 109.5° |
| C4 | C12 | H12 | 109.6° | 109.5° |
| C4 | C12 | H12A | 109.7° | 109.5° |
| C12 | C4 | C5 | 130.1° | 125.9° |
| C13 | C12 | H12 | 109.6° | 109.4° |
| C13 | C12 | H12A | 109.6° | 109.4° |
| C12 | C13 | H13 | 109.5° | 109.4° |
| C12 | C13 | H13A | 109.4° | 109.4° |
| C12 | C13 | H13B | 109.5° | 109.4° |
| H12 | C12 | H12A | 109.2° | 109.5° |
| H13 | C13 | H13A | 109.5° | 109.5° |
| H13 | C13 | H13B | 109.5° | 109.5° |
| H13A | C13 | H13B | 109.5° | 109.5° |
| C4 | C5 | N1 | 108.6° | 108.4° |
| C4 | C5 | C14 | 127.4° | 125.8° |
| N1 | C5 | C14 | 124.1° | 125.8° |
| C5 | N1 | N2 | 108.0° | 108.2° |
| C5 | N1 | H10 | 109.9° | 125.9° |
| C5 | C14 | H14 | 109.5° | 109.5° |
| C5 | C14 | H14A | 109.5° | 109.5° |
| C5 | C14 | H14B | 109.4° | 109.5° |
| H14 | C14 | H14A | 109.4° | 109.5° |
| H14 | C14 | H14B | 109.5° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| N1 | N2 | C3 | 112.4° | 107.6° |
| N1 | N2 | C6 | 122.3° | 126.2° |
| N2 | N1 | H10 | 110.0° | 125.9° |
| C3 | N2 | C6 | 125.2° | 126.2° |
| N2 | C6 | N7 | 124.0° | 126.4° |
| N2 | C6 | N10 | 120.0° | 126.4° |
| N7 | C6 | N10 | 116.0° | 107.2° |
| C6 | N7 | N8 | 104.0° | 110.5° |
| C6 | N10 | N9 | 104.4° | 105.2° |
| C6 | N10 | HN10 | 127.8° | 127.4° |
| N9 | N10 | HN10 | 127.8° | 127.4° |
| N10 | N9 | N8 | 107.6° | 106.8° |
| N9 | N8 | N7 | 108.0° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C3 | C4 | N2 | 178.6° | 179.8° |
| O11 | C3 | C4 | C12 | 0.5° | 0.0° |
| O11 | C3 | C4 | C5 | 179.6° | 180.0° |
| O11 | C3 | N2 | N1 | 179.9° | 179.8° |
| O11 | C3 | N2 | C6 | 3.4° | 0.3° |
| C3 | C4 | C12 | C5 | 179.9° | 180.0° |
| C3 | C4 | C12 | C13 | 120.8° | 85.0° |
| C3 | C4 | C12 | H12 | 119.2° | 34.9° |
| C3 | C4 | C12 | H12A | 0.7° | 155.0° |
| C3 | C4 | C5 | N1 | 0.1° | 0.0° |
| C3 | C4 | C5 | C14 | 179.8° | 180.0° |
| C4 | C3 | N2 | N1 | 1.5° | 0.4° |
| C4 | C3 | N2 | C6 | 178.0° | 179.9° |
| C4 | C12 | C13 | H12 | 120.0° | 120.0° |
| C4 | C12 | C13 | H12A | 120.1° | 120.0° |
| C4 | C12 | H12 | H12A | 120.2° | 120.1° |
| C4 | C12 | C13 | H13 | 56.7° | 60.0° |
| C4 | C12 | C13 | H13A | 63.3° | 180.0° |
| C4 | C12 | C13 | H13B | 176.7° | 60.0° |
| C12 | C4 | C5 | N1 | 180.0° | 180.0° |
| C12 | C4 | C5 | C14 | 0.1° | 0.0° |
| C12 | C4 | C3 | N2 | 179.1° | 179.7° |
| C13 | C12 | H12 | H12A | 120.1° | 119.9° |
| C12 | C13 | H13 | H13A | 120.0° | 120.0° |
| C12 | C13 | H13 | H13B | 120.0° | 119.9° |
| C12 | C13 | H13A | H13B | 120.0° | 120.0° |
| C13 | C12 | C4 | C5 | 59.3° | 95.0° |
| H12 | C12 | C13 | H13 | 176.7° | 60.0° |
| H12 | C12 | C13 | H13A | 56.7° | 60.0° |
| H12 | C12 | C13 | H13B | 63.3° | 179.9° |
| H12 | C12 | C4 | C5 | 60.6° | 145.1° |
| H12A | C12 | C13 | H13 | 63.4° | NaN° |
| H12A | C12 | C13 | H13A | 176.6° | 60.0° |
| H12A | C12 | C13 | H13B | 56.6° | 60.1° |
| H12A | C12 | C4 | C5 | 179.4° | 25.0° |
| H13 | C13 | H13A | H13B | 120.0° | 120.1° |
| C4 | C5 | N1 | C14 | 180.0° | 179.9° |
| C4 | C5 | C14 | H14 | 62.6° | 90.0° |
| C4 | C5 | C14 | H14A | 177.4° | 150.0° |
| C4 | C5 | C14 | H14B | 57.4° | 30.0° |
| C4 | C5 | N1 | N2 | 0.7° | 0.2° |
| C5 | C4 | C3 | N2 | 1.0° | 0.3° |
| C4 | C5 | N1 | H10 | 119.3° | 180.0° |
| N1 | C5 | C14 | H14 | 117.4° | 90.0° |
| N1 | C5 | C14 | H14A | 2.6° | 30.1° |
| N1 | C5 | C14 | H14B | 122.6° | 150.0° |
| C5 | N1 | N2 | H10 | 120.0° | 179.8° |
| C5 | N1 | N2 | C3 | 1.5° | 0.4° |
| C5 | N1 | N2 | C6 | 178.1° | 179.9° |
| C5 | C14 | H14 | H14A | 120.0° | 120.0° |
| C5 | C14 | H14 | H14B | 120.0° | 120.0° |
| C5 | C14 | H14A | H14B | 120.0° | 120.0° |
| C14 | C5 | N1 | N2 | 179.3° | 179.7° |
| C14 | C5 | N1 | H10 | 60.7° | 0.1° |
| H14 | C14 | H14A | H14B | 120.0° | 120.0° |
| N1 | N2 | C3 | C6 | 176.5° | 179.5° |
| N1 | N2 | C6 | N7 | 123.9° | 180.0° |
| N1 | N2 | C6 | N10 | 56.2° | 0.3° |
| C3 | N2 | C6 | N7 | 59.9° | 0.6° |
| C3 | N2 | C6 | N10 | 120.0° | 179.7° |
| C3 | N2 | N1 | H10 | 118.5° | 179.8° |
| N2 | C6 | N7 | N10 | 179.9° | 179.7° |
| N2 | C6 | N10 | N9 | 179.8° | 179.9° |
| N2 | C6 | N10 | HN10 | 0.2° | 0.1° |
| N2 | C6 | N7 | N8 | 179.6° | 179.9° |
| C6 | N2 | N1 | H10 | 58.1° | 0.3° |
| N7 | C6 | N10 | N9 | 0.1° | 0.2° |
| N7 | C6 | N10 | HN10 | 179.9° | 179.7° |
| C6 | N7 | N8 | N9 | 0.3° | 0.5° |
| C6 | N10 | N9 | HN10 | 180.0° | 180.0° |
| C6 | N10 | N9 | N8 | 0.1° | 0.0° |
| N10 | C6 | N7 | N8 | 0.3° | 0.4° |
| N10 | N9 | N8 | N7 | 0.3° | 0.3° |
| HN10 | N10 | N9 | N8 | 179.8° | 180.0° |
