A1IG7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C6 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | sing | 1.55Å | 1.53Å | |
| O8 | C6 | doub | 1.21Å | 1.22Å | |
| C6 | N7 | sing | 1.34Å | 1.40Å | |
| C3 | C4 | sing | 1.54Å | 1.53Å | |
| N7 | C4 | sing | 1.47Å | 1.47Å | |
| C4 | C9 | sing | 1.53Å | 1.52Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| N7 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C2 | C3 | 106.2° | 104.2° |
| C2 | C6 | O8 | 125.3° | 125.0° |
| C2 | C6 | N7 | 108.6° | 110.1° |
| C6 | C2 | H1 | 110.3° | 110.5° |
| C6 | C2 | H2 | 110.3° | 110.5° |
| C2 | C3 | C4 | 104.0° | 101.8° |
| C3 | C2 | H1 | 110.3° | 110.5° |
| C3 | C2 | H2 | 110.3° | 110.5° |
| C2 | C3 | H3 | 110.8° | 111.0° |
| C2 | C3 | H4 | 110.8° | 111.0° |
| O8 | C6 | N7 | 126.0° | 125.0° |
| C6 | N7 | C4 | 110.8° | 111.3° |
| C6 | N7 | H9 | 124.6° | 124.3° |
| C3 | C4 | N7 | 104.5° | 105.5° |
| C3 | C4 | C9 | 113.8° | 110.3° |
| C4 | C3 | H3 | 110.8° | 110.9° |
| C4 | C3 | H4 | 110.8° | 111.0° |
| C3 | C4 | H5 | 108.5° | 110.3° |
| N7 | C4 | C9 | 111.8° | 110.2° |
| N7 | C4 | H5 | 109.3° | 110.3° |
| C4 | N7 | H9 | 124.6° | 124.4° |
| C9 | C4 | H5 | 108.7° | 110.2° |
| C4 | C9 | H6 | 109.5° | 109.4° |
| C4 | C9 | H7 | 109.5° | 109.5° |
| C4 | C9 | H8 | 109.5° | 109.5° |
| H1 | C2 | H2 | 109.5° | 110.5° |
| H3 | C3 | H4 | 109.5° | 110.9° |
| H6 | C9 | H7 | 109.5° | 109.4° |
| H6 | C9 | H8 | 109.5° | 109.5° |
| H7 | C9 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C2 | C3 | H1 | 119.5° | 118.7° |
| C6 | C2 | C3 | H2 | 119.5° | 118.7° |
| C2 | C6 | O8 | N7 | 177.8° | 180.0° |
| C6 | C2 | C3 | C4 | 17.7° | 24.8° |
| C2 | C6 | N7 | C4 | 11.3° | 0.4° |
| C6 | C2 | H1 | H2 | 121.5° | 122.6° |
| C6 | C2 | C3 | H3 | 136.8° | 142.9° |
| C6 | C2 | C3 | H4 | 101.4° | 93.3° |
| C2 | C6 | N7 | H9 | 168.7° | 179.6° |
| C3 | C2 | C6 | O8 | 177.3° | 163.7° |
| C3 | C2 | C6 | N7 | 4.7° | 16.3° |
| C2 | C3 | C4 | H3 | 119.1° | 118.1° |
| C2 | C3 | C4 | H4 | 119.1° | 118.1° |
| C2 | C3 | C4 | N7 | 23.9° | 25.4° |
| C2 | C3 | C4 | C9 | 98.4° | 93.5° |
| C3 | C2 | H1 | H2 | 121.5° | 122.6° |
| C2 | C3 | H3 | H4 | 122.5° | 123.8° |
| C2 | C3 | C4 | H5 | 140.4° | 144.5° |
| O8 | C6 | N7 | C4 | 166.7° | 179.6° |
| O8 | C6 | C2 | H1 | 63.2° | 45.0° |
| O8 | C6 | C2 | H2 | 57.8° | 77.6° |
| O8 | C6 | N7 | H9 | 13.3° | 0.4° |
| C6 | N7 | C4 | C3 | 22.4° | 17.0° |
| C6 | N7 | C4 | H9 | 180.0° | 180.0° |
| C6 | N7 | C4 | C9 | 101.1° | 102.0° |
| N7 | C6 | C2 | H1 | 114.8° | 135.0° |
| N7 | C6 | C2 | H2 | 124.1° | 102.5° |
| C6 | N7 | C4 | H5 | 138.4° | 136.1° |
| C3 | C4 | N7 | C9 | 123.5° | 119.0° |
| C3 | C4 | N7 | H5 | 116.0° | 119.1° |
| C3 | C4 | C9 | H5 | 121.1° | 122.0° |
| C4 | C3 | C2 | H1 | 101.8° | 143.5° |
| C4 | C3 | C2 | H2 | 137.2° | 93.9° |
| C4 | C3 | H3 | H4 | 122.5° | 123.8° |
| C3 | C4 | C9 | H6 | 180.0° | 60.1° |
| C3 | C4 | C9 | H7 | 60.0° | 180.0° |
| C3 | C4 | C9 | H8 | 60.0° | 60.0° |
| C3 | C4 | N7 | H9 | 157.5° | 163.0° |
| N7 | C4 | C9 | H5 | 120.8° | 122.0° |
| N7 | C4 | C3 | H3 | 143.0° | 143.5° |
| N7 | C4 | C3 | H4 | 95.3° | 92.7° |
| N7 | C4 | C9 | H6 | 61.9° | 176.1° |
| N7 | C4 | C9 | H7 | 58.2° | 64.0° |
| N7 | C4 | C9 | H8 | 178.1° | 56.1° |
| C9 | C4 | C3 | H3 | 20.7° | 24.6° |
| C9 | C4 | C3 | H4 | 142.5° | 148.3° |
| C4 | C9 | H6 | H7 | 120.0° | 120.0° |
| C4 | C9 | H6 | H8 | 120.0° | 120.0° |
| C4 | C9 | H7 | H8 | 120.0° | 120.1° |
| C9 | C4 | N7 | H9 | 78.9° | 78.0° |
| H1 | C2 | C3 | H3 | 17.3° | 98.4° |
| H1 | C2 | C3 | H4 | 139.1° | 25.4° |
| H2 | C2 | C3 | H3 | 103.7° | 24.2° |
| H2 | C2 | C3 | H4 | 18.0° | 148.0° |
| H3 | C3 | C4 | H5 | 100.5° | 97.4° |
| H4 | C3 | C4 | H5 | 21.3° | 26.3° |
| H5 | C4 | C9 | H6 | 58.9° | 62.0° |
| H5 | C4 | C9 | H7 | 179.0° | 58.0° |
| H5 | C4 | C9 | H8 | 61.1° | 178.0° |
| H5 | C4 | N7 | H9 | 41.6° | 43.9° |
| H6 | C9 | H7 | H8 | 120.0° | 120.0° |
