GFX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | doub | 1.33Å | 1.33Å | |
| C2 | C9 | sing | 1.53Å | 1.53Å | |
| C2 | N1 | sing | 1.48Å | 1.49Å | |
| O10 | C10 | doub | 1.22Å | 1.26Å | |
| C10 | C4 | sing | 1.47Å | 1.51Å | |
| C10 | O11 | sing | 1.35Å | 1.41Å | |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| O11 | C12 | sing | 1.45Å | 1.43Å | |
| C7 | C5 | sing | 1.53Å | 1.53Å | |
| N1 | O1 | sing | 1.46Å | 1.44Å | |
| N1 | C5 | sing | 1.48Å | 1.50Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C2 | C3 | 111.5° | 110.3° |
| C8 | C2 | C9 | 112.2° | 110.2° |
| C8 | C2 | N1 | 112.3° | 110.3° |
| C2 | C8 | H13 | 109.5° | 109.5° |
| C2 | C8 | H14 | 109.5° | 109.4° |
| C2 | C8 | H15 | 109.5° | 109.5° |
| C2 | C3 | C4 | 110.8° | 109.2° |
| C3 | C2 | C9 | 110.6° | 110.3° |
| C3 | C2 | N1 | 103.2° | 105.4° |
| C2 | C3 | H5 | 124.6° | 125.4° |
| C3 | C4 | C10 | 122.6° | 125.5° |
| C3 | C4 | C5 | 111.9° | 109.1° |
| C4 | C3 | H5 | 124.6° | 125.4° |
| C9 | C2 | N1 | 106.6° | 110.3° |
| C2 | C9 | H16 | 109.5° | 109.5° |
| C2 | C9 | H17 | 109.5° | 109.5° |
| C2 | C9 | H18 | 109.5° | 109.5° |
| C2 | N1 | O1 | 111.1° | 111.0° |
| C2 | N1 | C5 | 109.0° | 103.1° |
| O10 | C10 | C4 | 122.3° | 120.0° |
| O10 | C10 | O11 | 119.0° | 120.0° |
| C4 | C10 | O11 | 118.7° | 120.0° |
| C10 | C4 | C5 | 125.4° | 125.4° |
| C10 | O11 | C12 | 111.7° | 117.0° |
| C4 | C5 | C7 | 111.7° | 110.2° |
| C4 | C5 | N1 | 101.9° | 105.4° |
| C4 | C5 | C6 | 112.3° | 110.3° |
| O11 | C12 | H1 | 109.5° | 109.5° |
| O11 | C12 | H2 | 109.5° | 109.4° |
| O11 | C12 | H3 | 109.5° | 109.5° |
| C7 | C5 | N1 | 112.8° | 110.3° |
| C7 | C5 | C6 | 109.8° | 110.3° |
| C5 | C7 | H10 | 109.5° | 109.5° |
| C5 | C7 | H11 | 109.5° | 109.4° |
| C5 | C7 | H12 | 109.5° | 109.5° |
| O1 | N1 | C5 | 115.1° | 111.1° |
| N1 | C5 | C6 | 108.0° | 110.3° |
| C5 | C6 | H7 | 109.5° | 109.5° |
| C5 | C6 | H8 | 109.5° | 109.4° |
| C5 | C6 | H9 | 109.5° | 109.5° |
| H1 | C12 | H2 | 109.4° | 109.5° |
| H1 | C12 | H3 | 109.5° | 109.5° |
| H2 | C12 | H3 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.4° | 109.5° |
| H7 | C6 | H9 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H10 | C7 | H12 | 109.4° | 109.5° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| H13 | C8 | H15 | 109.4° | 109.5° |
| H14 | C8 | H15 | 109.5° | 109.5° |
| H16 | C9 | H17 | 109.5° | 109.5° |
| H16 | C9 | H18 | 109.5° | 109.4° |
| H17 | C9 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C2 | C3 | C9 | 125.6° | 122.0° |
| C8 | C2 | C3 | N1 | 120.8° | 119.0° |
| C8 | C2 | C3 | C4 | 112.2° | 136.2° |
| C8 | C2 | C9 | N1 | 123.3° | 121.9° |
| C8 | C2 | N1 | O1 | 24.2° | 26.8° |
| C8 | C2 | N1 | C5 | 103.8° | 145.7° |
| C8 | C2 | C3 | H5 | 67.7° | 43.9° |
| C2 | C8 | H13 | H14 | 120.0° | 119.9° |
| C2 | C8 | H13 | H15 | 120.0° | 120.0° |
| C2 | C8 | H14 | H15 | 120.0° | 120.0° |
| C8 | C2 | C9 | H16 | 180.0° | 69.3° |
| C8 | C2 | C9 | H17 | 60.0° | 50.8° |
| C8 | C2 | C9 | H18 | 60.0° | 170.8° |
| C2 | C3 | C4 | H5 | 180.0° | 179.9° |
| C3 | C2 | C9 | N1 | 111.5° | 116.0° |
| C2 | C3 | C4 | C10 | 176.1° | 180.0° |
| C2 | C3 | C4 | C5 | 2.7° | 0.0° |
| C3 | C2 | N1 | O1 | 144.4° | 92.3° |
| C3 | C2 | N1 | C5 | 16.5° | 26.6° |
| C3 | C2 | C8 | H13 | 180.0° | 177.2° |
| C3 | C2 | C8 | H14 | 60.0° | 57.3° |
| C3 | C2 | C8 | H15 | 60.0° | 62.7° |
| C3 | C2 | C9 | H16 | 54.8° | 168.7° |
| C3 | C2 | C9 | H17 | 174.8° | 71.3° |
| C3 | C2 | C9 | H18 | 65.2° | 48.8° |
| C4 | C3 | C2 | C9 | 122.2° | 101.8° |
| C4 | C3 | C2 | N1 | 8.5° | 17.2° |
| C3 | C4 | C10 | O10 | 27.6° | 0.3° |
| C3 | C4 | C10 | C5 | 178.7° | 180.0° |
| C3 | C4 | C10 | O11 | 151.8° | 180.0° |
| C3 | C4 | C5 | C7 | 108.1° | 136.2° |
| C3 | C4 | C5 | N1 | 12.6° | 17.2° |
| C3 | C4 | C5 | C6 | 128.0° | 101.8° |
| C9 | C2 | N1 | O1 | 99.0° | 148.7° |
| C9 | C2 | N1 | C5 | 133.0° | 92.4° |
| C9 | C2 | C3 | H5 | 57.8° | 78.1° |
| C9 | C2 | C8 | H13 | 55.3° | 60.7° |
| C9 | C2 | C8 | H14 | 175.4° | 179.3° |
| C9 | C2 | C8 | H15 | 64.7° | 59.3° |
| C2 | C9 | H16 | H17 | 120.0° | 120.0° |
| C2 | C9 | H16 | H18 | 120.0° | 120.0° |
| C2 | C9 | H17 | H18 | 120.0° | 120.0° |
| C2 | N1 | C5 | C4 | 17.7° | 26.6° |
| C2 | N1 | C5 | C7 | 102.2° | 145.6° |
| C2 | N1 | O1 | C5 | 124.6° | 114.0° |
| C2 | N1 | C5 | C6 | 136.1° | 92.4° |
| N1 | C2 | C3 | H5 | 171.5° | 162.9° |
| N1 | C2 | C8 | H13 | 64.7° | 61.2° |
| N1 | C2 | C8 | H14 | 55.3° | 58.8° |
| N1 | C2 | C8 | H15 | 175.3° | 178.8° |
| N1 | C2 | C9 | H16 | 56.7° | 52.7° |
| N1 | C2 | C9 | H17 | 63.3° | 172.7° |
| N1 | C2 | C9 | H18 | 176.7° | 67.3° |
| O10 | C10 | C4 | O11 | 179.4° | 179.7° |
| O10 | C10 | C4 | C5 | 151.1° | 179.7° |
| O10 | C10 | O11 | C12 | 56.6° | 0.3° |
| C4 | C10 | O11 | C12 | 124.0° | 180.0° |
| C10 | C4 | C5 | C7 | 73.1° | 43.8° |
| C10 | C4 | C5 | N1 | 166.2° | 162.9° |
| C10 | C4 | C5 | C6 | 50.8° | 78.1° |
| C10 | C4 | C3 | H5 | 3.9° | 0.0° |
| O11 | C10 | C4 | C5 | 29.5° | 0.0° |
| C10 | O11 | C12 | H1 | 180.0° | 60.0° |
| C10 | O11 | C12 | H2 | 60.0° | 60.0° |
| C10 | O11 | C12 | H3 | 60.0° | 180.0° |
| C4 | C5 | C7 | N1 | 114.1° | 116.0° |
| C4 | C5 | C7 | C6 | 125.3° | 122.0° |
| C4 | C5 | N1 | O1 | 143.4° | 92.3° |
| C4 | C5 | N1 | C6 | 118.4° | 119.0° |
| C5 | C4 | C3 | H5 | 177.3° | 179.9° |
| C4 | C5 | C6 | H7 | 180.0° | 67.0° |
| C4 | C5 | C6 | H8 | 60.0° | 173.1° |
| C4 | C5 | C6 | H9 | 60.0° | 53.1° |
| C4 | C5 | C7 | H10 | 180.0° | 58.5° |
| C4 | C5 | C7 | H11 | 60.0° | 178.5° |
| C4 | C5 | C7 | H12 | 60.0° | 61.5° |
| O11 | C12 | H1 | H2 | 120.0° | 119.9° |
| O11 | C12 | H1 | H3 | 120.0° | 120.0° |
| O11 | C12 | H2 | H3 | 120.0° | 120.0° |
| C7 | C5 | N1 | O1 | 23.4° | 26.7° |
| C7 | C5 | N1 | C6 | 121.6° | 122.0° |
| C7 | C5 | C6 | H7 | 55.0° | 55.0° |
| C7 | C5 | C6 | H8 | 175.0° | 65.0° |
| C7 | C5 | C6 | H9 | 65.0° | 175.0° |
| C5 | C7 | H10 | H11 | 120.0° | 119.9° |
| C5 | C7 | H10 | H12 | 120.0° | 120.0° |
| C5 | C7 | H11 | H12 | 120.0° | 120.0° |
| O1 | N1 | C5 | C6 | 98.2° | 148.7° |
| N1 | C5 | C6 | H7 | 68.4° | 177.0° |
| N1 | C5 | C6 | H8 | 51.5° | 57.0° |
| N1 | C5 | C6 | H9 | 171.6° | 63.0° |
| N1 | C5 | C7 | H10 | 65.9° | 57.5° |
| N1 | C5 | C7 | H11 | 174.1° | 62.5° |
| N1 | C5 | C7 | H12 | 54.1° | 177.5° |
| C5 | C6 | H7 | H8 | 120.0° | 119.9° |
| C5 | C6 | H7 | H9 | 120.0° | 120.0° |
| C5 | C6 | H8 | H9 | 120.0° | 120.0° |
| C6 | C5 | C7 | H10 | 54.7° | 179.5° |
| C6 | C5 | C7 | H11 | 65.3° | 59.5° |
| C6 | C5 | C7 | H12 | 174.7° | 60.5° |
| H1 | C12 | H2 | H3 | 120.0° | 120.0° |
| H7 | C6 | H8 | H9 | 120.0° | 120.0° |
| H10 | C7 | H11 | H12 | 120.0° | 120.0° |
| H13 | C8 | H14 | H15 | 120.0° | 120.0° |
| H16 | C9 | H17 | H18 | 120.0° | 119.9° |
