E9Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C7 | sing | 1.38Å | 1.33Å | |
| N3 | C6 | trip | 1.14Å | 1.15Å | |
| C6 | C5 | sing | 1.43Å | 1.43Å | |
| C7 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | N | sing | 1.35Å | 1.34Å | Aromatic |
| C5 | C | sing | 1.42Å | 1.44Å | Aromatic |
| N | N1 | sing | 1.40Å | 1.38Å | Aromatic |
| C | N1 | doub | 1.31Å | 1.31Å | Aromatic |
| C | N2 | sing | 1.40Å | 1.37Å | |
| C1 | N2 | sing | 1.48Å | 1.46Å | |
| C1 | C2 | sing | 1.54Å | 1.51Å | |
| N2 | C4 | sing | 1.49Å | 1.47Å | |
| C2 | C3 | sing | 1.54Å | 1.50Å | |
| C4 | C3 | sing | 1.54Å | 1.51Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| N4 | H5 | sing | 0.97Å | 1.00Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C7 | C5 | 129.0° | 126.4° |
| N4 | C7 | N | 124.0° | 126.3° |
| C7 | N4 | H4 | 109.5° | 120.0° |
| C7 | N4 | H5 | 109.5° | 120.0° |
| N3 | C6 | C5 | 176.1° | 180.0° |
| C6 | C5 | C7 | 123.8° | 126.5° |
| C6 | C5 | C | 132.3° | 126.5° |
| C5 | C7 | N | 106.9° | 107.3° |
| C7 | C5 | C | 103.7° | 106.9° |
| C7 | N | N1 | 113.0° | 108.6° |
| C7 | N | H | 123.5° | 125.7° |
| C5 | C | N1 | 112.0° | 108.0° |
| C5 | C | N2 | 126.8° | 126.0° |
| N | N1 | C | 104.4° | 109.1° |
| N1 | N | H | 123.5° | 125.7° |
| N1 | C | N2 | 121.2° | 126.0° |
| C | N2 | C1 | 126.0° | 111.0° |
| C | N2 | C4 | 122.4° | 111.0° |
| N2 | C1 | C2 | 103.1° | 104.6° |
| C1 | N2 | C4 | 111.5° | 104.2° |
| N2 | C1 | H10 | 111.0° | 110.5° |
| N2 | C1 | H11 | 111.0° | 110.4° |
| C1 | C2 | C3 | 104.0° | 105.1° |
| C1 | C2 | H8 | 110.8° | 110.3° |
| C1 | C2 | H9 | 110.8° | 110.4° |
| C2 | C1 | H10 | 111.0° | 110.4° |
| C2 | C1 | H11 | 111.0° | 110.4° |
| N2 | C4 | C3 | 103.7° | 104.6° |
| N2 | C4 | H2 | 110.9° | 110.4° |
| N2 | C4 | H1 | 110.9° | 110.5° |
| C2 | C3 | C4 | 104.7° | 105.0° |
| C2 | C3 | H7 | 110.7° | 110.4° |
| C2 | C3 | H6 | 110.7° | 110.4° |
| C3 | C2 | H8 | 110.8° | 110.3° |
| C3 | C2 | H9 | 110.8° | 110.3° |
| C3 | C4 | H2 | 110.9° | 110.4° |
| C3 | C4 | H1 | 110.9° | 110.4° |
| C4 | C3 | H7 | 110.6° | 110.3° |
| C4 | C3 | H6 | 110.7° | 110.3° |
| H2 | C4 | H1 | 109.5° | 110.3° |
| H4 | N4 | H5 | 109.5° | 120.0° |
| H7 | C3 | H6 | 109.4° | 110.3° |
| H8 | C2 | H9 | 109.5° | 110.3° |
| H10 | C1 | H11 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C7 | C5 | C6 | 0.4° | 0.2° |
| N4 | C7 | C5 | N | 175.8° | 180.0° |
| N4 | C7 | C5 | C | 174.8° | 180.0° |
| N4 | C7 | N | N1 | 174.8° | 180.0° |
| C7 | N4 | H4 | H5 | 120.0° | 180.0° |
| N4 | C7 | N | H | 5.1° | 0.0° |
| N3 | C6 | C5 | C7 | 14.1° | 112.1° |
| N3 | C6 | C5 | C | 159.4° | 68.2° |
| C6 | C5 | C7 | C | 175.1° | 179.8° |
| C6 | C5 | C7 | N | 176.1° | 179.7° |
| C6 | C5 | C | N1 | 175.1° | 179.7° |
| C6 | C5 | C | N2 | 5.4° | 0.0° |
| C5 | C7 | N | N1 | 1.2° | 0.0° |
| C7 | C5 | C | N1 | 0.6° | 0.0° |
| C7 | C5 | C | N2 | 179.9° | 179.7° |
| C5 | C7 | N4 | H4 | 180.0° | 0.0° |
| C5 | C7 | N4 | H5 | 60.0° | 180.0° |
| C5 | C7 | N | H | 178.9° | 180.0° |
| N | C7 | C5 | C | 1.0° | 0.0° |
| C7 | N | N1 | H | 180.0° | 180.0° |
| C7 | N | N1 | C | 0.8° | 0.0° |
| N | C7 | N4 | H4 | 4.9° | 179.9° |
| N | C7 | N4 | H5 | 115.1° | 0.0° |
| C5 | C | N1 | N | 0.1° | 0.0° |
| C5 | C | N1 | N2 | 179.6° | 179.7° |
| C5 | C | N2 | C1 | 1.9° | 64.6° |
| C5 | C | N2 | C4 | 174.4° | 180.0° |
| N | N1 | C | N2 | 179.5° | 179.7° |
| N1 | C | N2 | C1 | 178.6° | 115.1° |
| N1 | C | N2 | C4 | 5.1° | 0.3° |
| C | N1 | N | H | 179.2° | 180.0° |
| C | N2 | C1 | C4 | 176.7° | 119.6° |
| C | N2 | C1 | C2 | 166.6° | 159.0° |
| C | N2 | C4 | C3 | 171.5° | 159.1° |
| C | N2 | C4 | H2 | 69.5° | 82.1° |
| C | N2 | C4 | H1 | 52.4° | 40.2° |
| C | N2 | C1 | H10 | 74.4° | 40.3° |
| C | N2 | C1 | H11 | 47.6° | 82.2° |
| N2 | C1 | C2 | H10 | 119.0° | 118.8° |
| N2 | C1 | C2 | H11 | 119.0° | 118.8° |
| N2 | C1 | C2 | C3 | 32.2° | 23.9° |
| C1 | N2 | C4 | C3 | 5.3° | 39.5° |
| C1 | N2 | C4 | H2 | 113.7° | 158.3° |
| C1 | N2 | C4 | H1 | 124.4° | 79.4° |
| N2 | C1 | C2 | H8 | 151.4° | 95.0° |
| N2 | C1 | C2 | H9 | 86.9° | 142.8° |
| N2 | C1 | H10 | H11 | 122.9° | 122.5° |
| C2 | C1 | N2 | C4 | 16.7° | 39.5° |
| C1 | C2 | C3 | H8 | 119.1° | 118.9° |
| C1 | C2 | C3 | H9 | 119.1° | 119.0° |
| C1 | C2 | C3 | C4 | 36.3° | 0.0° |
| C1 | C2 | C3 | H7 | 83.0° | 118.8° |
| C1 | C2 | C3 | H6 | 155.5° | 118.9° |
| C1 | C2 | H8 | H9 | 122.5° | 122.3° |
| C2 | C1 | H10 | H11 | 123.0° | 122.3° |
| N2 | C4 | C3 | C2 | 25.6° | 23.9° |
| N2 | C4 | C3 | H2 | 119.1° | 118.8° |
| N2 | C4 | C3 | H1 | 119.1° | 118.9° |
| N2 | C4 | H2 | H1 | 122.7° | 122.4° |
| N2 | C4 | C3 | H7 | 93.6° | 95.1° |
| N2 | C4 | C3 | H6 | 144.9° | 142.9° |
| C4 | N2 | C1 | H10 | 102.2° | 79.3° |
| C4 | N2 | C1 | H11 | 135.7° | 158.2° |
| C2 | C3 | C4 | H7 | 119.2° | 118.9° |
| C2 | C3 | C4 | H6 | 119.3° | 119.0° |
| C2 | C3 | C4 | H2 | 93.4° | 142.7° |
| C2 | C3 | C4 | H1 | 144.7° | 95.1° |
| C2 | C3 | H7 | H6 | 122.2° | 122.3° |
| C3 | C2 | H8 | H9 | 122.6° | 122.1° |
| C3 | C2 | C1 | H10 | 86.7° | 95.0° |
| C3 | C2 | C1 | H11 | 151.2° | 142.6° |
| C3 | C4 | H2 | H1 | 122.7° | 122.4° |
| C4 | C3 | H7 | H6 | 122.2° | 122.1° |
| C4 | C3 | C2 | H8 | 155.4° | 118.9° |
| C4 | C3 | C2 | H9 | 82.8° | 119.0° |
| H2 | C4 | C3 | H7 | 147.3° | 23.7° |
| H2 | C4 | C3 | H6 | 25.8° | 98.3° |
| H1 | C4 | C3 | H7 | 25.5° | 146.0° |
| H1 | C4 | C3 | H6 | 96.0° | 23.9° |
| H7 | C3 | C2 | H8 | 36.1° | 0.1° |
| H7 | C3 | C2 | H9 | 157.9° | 122.1° |
| H6 | C3 | C2 | H8 | 85.3° | 122.2° |
| H6 | C3 | C2 | H9 | 36.4° | 0.1° |
| H8 | C2 | C1 | H10 | 32.4° | 146.1° |
| H8 | C2 | C1 | H11 | 89.7° | 23.8° |
| H9 | C2 | C1 | H10 | 154.2° | 23.9° |
| H9 | C2 | C1 | H11 | 32.1° | 98.4° |
