NGX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C10 | sing | 1.33Å | 1.35Å | Aromatic |
| N1 | C9 | doub | 1.31Å | 1.31Å | Aromatic |
| C10 | N2 | doub | 1.31Å | 1.31Å | Aromatic |
| C9 | N | sing | 1.34Å | 1.33Å | Aromatic |
| N2 | N | sing | 1.40Å | 1.36Å | Aromatic |
| N | C8 | sing | 1.46Å | 1.46Å | |
| C8 | C | sing | 1.53Å | 1.52Å | |
| O | C | sing | 1.43Å | 1.43Å | |
| CL | C6 | sing | 1.74Å | 1.75Å | |
| C | C1 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| O | H11 | sing | 0.97Å | 0.95Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | N1 | C9 | 102.2° | 109.9° |
| N1 | C10 | N2 | 115.4° | 108.9° |
| N1 | C10 | H6 | 122.3° | 125.6° |
| N1 | C9 | N | 111.0° | 108.0° |
| N1 | C9 | H12 | 124.5° | 126.1° |
| C10 | N2 | N | 102.0° | 106.8° |
| N2 | C10 | H6 | 122.3° | 125.5° |
| C9 | N | N2 | 109.5° | 106.3° |
| C9 | N | C8 | 129.8° | 126.8° |
| N | C9 | H12 | 124.5° | 125.9° |
| N2 | N | C8 | 120.7° | 126.9° |
| N | C8 | C | 112.4° | 109.5° |
| N | C8 | H4 | 108.7° | 109.5° |
| N | C8 | H5 | 108.7° | 109.5° |
| C8 | C | O | 110.7° | 109.5° |
| C8 | C | C1 | 110.4° | 109.4° |
| C | C8 | H4 | 108.7° | 109.5° |
| C | C8 | H5 | 108.7° | 109.5° |
| C8 | C | H10 | 108.4° | 109.5° |
| O | C | C1 | 109.4° | 109.5° |
| O | C | H10 | 109.6° | 109.5° |
| C | O | H11 | 109.5° | 114.0° |
| CL | C6 | C7 | 118.9° | 120.0° |
| CL | C6 | C5 | 119.4° | 120.0° |
| C | C1 | C2 | 112.7° | 109.4° |
| C | C1 | H8 | 108.7° | 109.5° |
| C | C1 | H9 | 108.7° | 109.5° |
| C1 | C | H10 | 108.3° | 109.5° |
| C6 | C7 | C2 | 119.7° | 120.0° |
| C7 | C6 | C5 | 121.7° | 120.0° |
| C6 | C7 | H3 | 120.2° | 120.0° |
| C7 | C2 | C1 | 119.6° | 120.0° |
| C7 | C2 | C3 | 118.8° | 120.0° |
| C2 | C7 | H3 | 120.1° | 120.0° |
| C6 | C5 | C4 | 118.6° | 120.0° |
| C6 | C5 | H2 | 120.7° | 120.0° |
| C1 | C2 | C3 | 121.0° | 120.0° |
| C2 | C1 | H8 | 108.7° | 109.4° |
| C2 | C1 | H9 | 108.7° | 109.5° |
| C2 | C3 | C4 | 120.7° | 120.1° |
| C2 | C3 | H7 | 119.7° | 119.9° |
| C5 | C4 | C3 | 120.3° | 120.0° |
| C5 | C4 | H1 | 119.8° | 120.0° |
| C4 | C5 | H2 | 120.7° | 120.0° |
| C3 | C4 | H1 | 119.9° | 120.0° |
| C4 | C3 | H7 | 119.6° | 120.0° |
| H4 | C8 | H5 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C10 | N2 | H6 | 180.0° | 180.0° |
| C10 | N1 | C9 | N | 0.7° | 0.0° |
| N1 | C10 | N2 | N | 0.1° | 0.0° |
| C10 | N1 | C9 | H12 | 179.3° | 180.0° |
| C9 | N1 | C10 | N2 | 0.5° | 0.0° |
| N1 | C9 | N | H12 | 180.0° | 179.9° |
| N1 | C9 | N | N2 | 0.7° | 0.1° |
| N1 | C9 | N | C8 | 177.3° | 180.0° |
| C9 | N1 | C10 | H6 | 179.5° | 180.0° |
| C10 | N2 | N | C9 | 0.3° | 0.1° |
| C10 | N2 | N | C8 | 177.8° | 180.0° |
| C9 | N | N2 | C8 | 178.1° | 179.9° |
| C9 | N | C8 | C | 48.1° | 125.0° |
| C9 | N | C8 | H4 | 168.6° | 5.0° |
| C9 | N | C8 | H5 | 72.3° | 115.0° |
| N2 | N | C8 | C | 129.6° | 54.9° |
| N2 | N | C8 | H4 | 9.1° | 174.9° |
| N2 | N | C8 | H5 | 110.0° | 65.1° |
| N | N2 | C10 | H6 | 179.9° | 180.0° |
| N2 | N | C9 | H12 | 179.3° | 180.0° |
| N | C8 | C | H4 | 120.4° | 120.0° |
| N | C8 | C | H5 | 120.4° | 120.0° |
| N | C8 | C | O | 58.1° | 65.0° |
| N | C8 | C | C1 | 179.4° | 175.0° |
| N | C8 | H4 | H5 | 118.6° | 120.0° |
| N | C8 | C | H10 | 62.1° | 55.0° |
| C8 | N | C9 | H12 | 2.8° | 0.1° |
| C8 | C | O | C1 | 121.9° | 119.9° |
| C8 | C | O | H10 | 119.5° | 120.0° |
| C8 | C | C1 | H10 | 118.6° | 120.0° |
| C8 | C | C1 | C2 | 176.6° | 175.0° |
| C | C8 | H4 | H5 | 118.6° | 120.0° |
| C8 | C | C1 | H8 | 56.2° | 55.1° |
| C8 | C | C1 | H9 | 62.9° | 65.0° |
| C8 | C | O | H11 | 180.0° | 60.0° |
| O | C | C1 | H10 | 119.3° | 120.0° |
| O | C | C1 | C2 | 54.6° | 65.0° |
| O | C | C8 | H4 | 62.4° | 175.0° |
| O | C | C8 | H5 | 178.5° | 55.0° |
| O | C | C1 | H8 | 65.9° | 175.0° |
| O | C | C1 | H9 | 175.0° | 54.9° |
| CL | C6 | C7 | C5 | 179.5° | 180.0° |
| CL | C6 | C7 | C2 | 177.6° | 180.0° |
| CL | C6 | C5 | C4 | 179.7° | 180.0° |
| CL | C6 | C5 | H2 | 0.3° | 0.0° |
| CL | C6 | C7 | H3 | 2.4° | 0.0° |
| C | C1 | C2 | C7 | 69.2° | 90.0° |
| C | C1 | C2 | H8 | 120.5° | 120.0° |
| C | C1 | C2 | H9 | 120.5° | 120.0° |
| C | C1 | C2 | C3 | 102.2° | 89.7° |
| C1 | C | C8 | H4 | 58.9° | 55.0° |
| C1 | C | C8 | H5 | 60.2° | 65.0° |
| C | C1 | H8 | H9 | 118.5° | 120.1° |
| C1 | C | O | H11 | 58.1° | 60.0° |
| C6 | C7 | C2 | H3 | 180.0° | 180.0° |
| C6 | C7 | C2 | C1 | 167.8° | 180.0° |
| C6 | C7 | C2 | C3 | 3.8° | 0.3° |
| C7 | C6 | C5 | C4 | 0.8° | 0.0° |
| C7 | C6 | C5 | H2 | 179.2° | 179.9° |
| C2 | C7 | C6 | C5 | 1.9° | 0.0° |
| C7 | C2 | C1 | C3 | 171.4° | 179.7° |
| C7 | C2 | C3 | C4 | 3.1° | 0.6° |
| C7 | C2 | C3 | H7 | 176.9° | 179.7° |
| C7 | C2 | C1 | H8 | 170.3° | 150.0° |
| C7 | C2 | C1 | H9 | 51.3° | 30.0° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 1.6° | 0.3° |
| C6 | C5 | C4 | H1 | 178.4° | 180.0° |
| C5 | C6 | C7 | H3 | 178.0° | 180.0° |
| C1 | C2 | C3 | C4 | 168.4° | 179.7° |
| C1 | C2 | C7 | H3 | 12.3° | 0.0° |
| C1 | C2 | C3 | H7 | 11.6° | 0.0° |
| C2 | C1 | H8 | H9 | 118.5° | 120.0° |
| C2 | C1 | C | H10 | 64.8° | 55.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.6° |
| C2 | C3 | C4 | H7 | 180.0° | 179.7° |
| C2 | C3 | C4 | H1 | 179.7° | 179.8° |
| C3 | C2 | C7 | H3 | 176.1° | 179.8° |
| C3 | C2 | C1 | H8 | 18.3° | 30.3° |
| C3 | C2 | C1 | H9 | 137.3° | 150.3° |
| C5 | C4 | C3 | H1 | 180.0° | 179.7° |
| C5 | C4 | C3 | H7 | 179.6° | 179.7° |
| C3 | C4 | C5 | H2 | 178.4° | 179.8° |
| H1 | C4 | C5 | H2 | 1.6° | 0.1° |
| H1 | C4 | C3 | H7 | 0.3° | 0.1° |
| H4 | C8 | C | H10 | 177.4° | 65.0° |
| H5 | C8 | C | H10 | 58.3° | 175.0° |
| H8 | C1 | C | H10 | 174.7° | 64.9° |
| H9 | C1 | C | H10 | 55.7° | 175.0° |
| H10 | C | O | H11 | 60.5° | 180.0° |
