GIQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3A | C3A | sing | 1.39Å | 1.38Å | Aromatic |
| N3A | C | sing | 1.46Å | 1.46Å | |
| N3A | C2A | sing | 1.36Å | 1.39Å | Aromatic |
| C3A | C1A | doub | 1.40Å | 1.39Å | Aromatic |
| C3A | C4A | sing | 1.40Å | 1.39Å | Aromatic |
| C1A | N1A | sing | 1.35Å | 1.40Å | Aromatic |
| C1A | C10 | sing | 1.46Å | 1.45Å | Aromatic |
| N1A | C2A | doub | 1.31Å | 1.33Å | Aromatic |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C4A | C5A | doub | 1.36Å | 1.38Å | Aromatic |
| C4A | H4A | sing | 1.08Å | 1.08Å | |
| C5A | C6A | sing | 1.41Å | 1.36Å | Aromatic |
| C5A | H5A | sing | 1.08Å | 1.08Å | |
| C6A | C10 | sing | 1.42Å | 1.40Å | Aromatic |
| C6A | N6A | doub | 1.34Å | 1.35Å | Aromatic |
| C10 | C9A | doub | 1.40Å | 1.39Å | Aromatic |
| N6A | C7A | sing | 1.31Å | 1.28Å | Aromatic |
| C7A | C8A | doub | 1.39Å | 1.39Å | Aromatic |
| C7A | H7A | sing | 1.08Å | 1.08Å | |
| C8A | C9A | sing | 1.37Å | 1.37Å | Aromatic |
| C8A | H8A | sing | 1.08Å | 1.08Å | |
| C9A | H9A | sing | 1.08Å | 1.08Å | |
| N10 | C2A | sing | 1.38Å | 1.43Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N10 | H102 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3A | N3A | C | 125.3° | 126.5° |
| C3A | N3A | C2A | 105.8° | 107.1° |
| N3A | C3A | C1A | 107.2° | 106.1° |
| N3A | C3A | C4A | 130.9° | 133.6° |
| C | N3A | C2A | 128.9° | 126.4° |
| N3A | C | H1 | 109.5° | 109.5° |
| N3A | C | H2 | 109.5° | 109.5° |
| N3A | C | H3 | 109.5° | 109.5° |
| N3A | C2A | N1A | 112.3° | 109.6° |
| N3A | C2A | N10 | 118.0° | 125.2° |
| C1A | C3A | C4A | 121.9° | 120.3° |
| C3A | C1A | N1A | 109.6° | 107.5° |
| C3A | C1A | C10 | 119.4° | 118.6° |
| C3A | C4A | C5A | 117.4° | 121.7° |
| C3A | C4A | H4A | 121.4° | 119.2° |
| N1A | C1A | C10 | 131.0° | 133.9° |
| C1A | N1A | C2A | 105.0° | 109.7° |
| C1A | C10 | C6A | 117.0° | 119.0° |
| C1A | C10 | C9A | 127.3° | 121.7° |
| N1A | C2A | N10 | 129.6° | 125.2° |
| H1 | C | H2 | 109.5° | 109.4° |
| H1 | C | H3 | 109.5° | 109.5° |
| H2 | C | H3 | 109.5° | 109.5° |
| C5A | C4A | H4A | 121.3° | 119.1° |
| C4A | C5A | C6A | 123.4° | 121.0° |
| C4A | C5A | H5A | 118.3° | 119.5° |
| C6A | C5A | H5A | 118.3° | 119.5° |
| C5A | C6A | C10 | 120.8° | 119.4° |
| C5A | C6A | N6A | 115.0° | 121.0° |
| C10 | C6A | N6A | 124.1° | 119.7° |
| C6A | C10 | C9A | 115.7° | 119.3° |
| C6A | N6A | C7A | 117.6° | 121.3° |
| C10 | C9A | C8A | 120.2° | 118.2° |
| C10 | C9A | H9A | 119.9° | 120.9° |
| N6A | C7A | C8A | 123.7° | 121.7° |
| N6A | C7A | H7A | 118.1° | 119.1° |
| C8A | C7A | H7A | 118.1° | 119.1° |
| C7A | C8A | C9A | 118.6° | 119.8° |
| C7A | C8A | H8A | 120.7° | 120.1° |
| C9A | C8A | H8A | 120.7° | 120.1° |
| C8A | C9A | H9A | 119.9° | 120.9° |
| C2A | N10 | H101 | 125.7° | 120.0° |
| C2A | N10 | H102 | 108.6° | 120.0° |
| H101 | N10 | H102 | 125.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3A | N3A | C | C2A | 177.5° | 179.7° |
| N3A | C3A | C1A | C4A | 180.0° | 179.7° |
| N3A | C3A | C1A | N1A | 0.2° | 0.4° |
| N3A | C3A | C1A | C10 | 179.4° | 179.8° |
| C3A | N3A | C2A | N1A | 0.8° | 0.2° |
| C3A | N3A | C | H1 | 125.1° | 90.2° |
| C3A | N3A | C | H2 | 5.1° | 29.7° |
| C3A | N3A | C | H3 | 114.9° | 149.7° |
| N3A | C3A | C4A | C5A | 179.8° | 179.5° |
| N3A | C3A | C4A | H4A | 0.2° | 0.5° |
| C3A | N3A | C2A | N10 | 178.3° | 179.7° |
| C | N3A | C3A | C1A | 178.5° | 179.9° |
| C | N3A | C3A | C4A | 1.5° | 0.3° |
| C | N3A | C2A | N1A | 178.7° | 180.0° |
| N3A | C | H1 | H2 | 120.0° | 119.9° |
| N3A | C | H1 | H3 | 120.0° | 120.0° |
| N3A | C | H2 | H3 | 120.0° | 120.0° |
| C | N3A | C2A | N10 | 3.9° | 0.0° |
| C2A | N3A | C3A | C1A | 0.6° | 0.3° |
| C2A | N3A | C3A | C4A | 179.5° | 179.9° |
| N3A | C2A | N1A | C1A | 0.7° | 0.0° |
| N3A | C2A | N1A | N10 | 177.1° | 179.9° |
| C2A | N3A | C | H1 | 52.4° | 90.1° |
| C2A | N3A | C | H2 | 172.4° | 150.0° |
| C2A | N3A | C | H3 | 67.6° | 30.0° |
| N3A | C2A | N10 | H101 | 178.8° | 0.0° |
| N3A | C2A | N10 | H102 | 1.2° | 179.9° |
| C3A | C1A | N1A | C10 | 179.5° | 179.8° |
| C3A | C1A | N1A | C2A | 0.3° | 0.3° |
| C1A | C3A | C4A | C5A | 0.2° | 0.1° |
| C1A | C3A | C4A | H4A | 179.8° | 179.9° |
| C3A | C1A | C10 | C6A | 0.8° | 0.4° |
| C3A | C1A | C10 | C9A | 179.6° | 179.8° |
| C4A | C3A | C1A | N1A | 179.9° | 180.0° |
| C4A | C3A | C1A | C10 | 0.6° | 0.1° |
| C3A | C4A | C5A | H4A | 180.0° | 180.0° |
| C3A | C4A | C5A | C6A | 0.8° | 0.0° |
| C3A | C4A | C5A | H5A | 179.2° | 180.0° |
| N1A | C1A | C10 | C6A | 179.8° | 179.9° |
| N1A | C1A | C10 | C9A | 0.1° | 0.5° |
| C1A | N1A | C2A | N10 | 177.8° | 180.0° |
| C10 | C1A | N1A | C2A | 179.8° | 179.9° |
| C1A | C10 | C6A | C5A | 0.2° | 0.4° |
| C1A | C10 | C6A | C9A | 179.7° | 179.4° |
| C1A | C10 | C6A | N6A | 179.6° | 179.8° |
| C1A | C10 | C9A | C8A | 179.4° | 179.8° |
| C1A | C10 | C9A | H9A | 0.6° | 0.4° |
| N1A | C2A | N10 | H101 | 1.8° | 179.9° |
| N1A | C2A | N10 | H102 | 178.2° | 0.0° |
| H1 | C | H2 | H3 | 120.0° | 120.0° |
| C4A | C5A | C6A | H5A | 180.0° | 180.0° |
| C4A | C5A | C6A | C10 | 0.6° | 0.2° |
| C4A | C5A | C6A | N6A | 178.8° | 180.0° |
| H4A | C4A | C5A | C6A | 179.2° | 180.0° |
| H4A | C4A | C5A | H5A | 0.8° | 0.0° |
| C5A | C6A | C10 | N6A | 179.4° | 179.8° |
| C5A | C6A | C10 | C9A | 179.9° | 179.8° |
| C5A | C6A | N6A | C7A | 179.3° | 180.0° |
| H5A | C5A | C6A | C10 | 179.4° | 179.8° |
| H5A | C5A | C6A | N6A | 1.2° | 0.0° |
| C10 | C6A | N6A | C7A | 0.2° | 0.2° |
| C6A | C10 | C9A | C8A | 0.9° | 0.4° |
| C6A | C10 | C9A | H9A | 179.1° | 179.8° |
| N6A | C6A | C10 | C9A | 0.7° | 0.4° |
| C6A | N6A | C7A | C8A | 0.8° | 0.0° |
| C6A | N6A | C7A | H7A | 179.2° | 180.0° |
| C10 | C9A | C8A | C7A | 0.3° | 0.2° |
| C10 | C9A | C8A | H9A | 180.0° | 179.8° |
| C10 | C9A | C8A | H8A | 179.7° | 179.8° |
| N6A | C7A | C8A | H7A | 180.0° | 179.9° |
| N6A | C7A | C8A | C9A | 0.6° | 0.0° |
| N6A | C7A | C8A | H8A | 179.4° | 180.0° |
| C7A | C8A | C9A | H8A | 180.0° | 180.0° |
| C7A | C8A | C9A | H9A | 179.6° | 180.0° |
| H7A | C7A | C8A | C9A | 179.4° | 180.0° |
| H7A | C7A | C8A | H8A | 0.6° | 0.1° |
| H8A | C8A | C9A | H9A | 0.4° | 0.0° |
| C2A | N10 | H101 | H102 | 180.0° | 179.9° |
