6HQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C1 | N2 | sing | 1.46Å | 1.45Å | |
| C8 | N2 | sing | 1.47Å | 1.46Å | |
| C8 | C6 | sing | 1.52Å | 1.54Å | |
| C8 | C10 | sing | 1.53Å | 1.52Å | |
| N2 | C3 | sing | 1.35Å | 1.35Å | |
| C3 | O4 | doub | 1.22Å | 1.22Å | |
| C3 | N5 | sing | 1.34Å | 1.39Å | |
| C6 | O7 | doub | 1.21Å | 1.21Å | |
| C6 | N5 | sing | 1.35Å | 1.36Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| N5 | H14 | sing | 0.97Å | 1.00Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | N2 | 112.1° | 110.6° |
| C9 | C8 | C6 | 110.2° | 110.4° |
| C9 | C8 | C10 | 111.8° | 110.7° |
| C8 | C9 | H15 | 109.5° | 109.4° |
| C8 | C9 | H16 | 109.5° | 109.4° |
| C8 | C9 | H17 | 109.5° | 109.4° |
| C1 | N2 | C8 | 123.6° | 126.7° |
| C1 | N2 | C3 | 122.9° | 126.6° |
| N2 | C1 | H11 | 109.5° | 109.5° |
| N2 | C1 | H13 | 109.5° | 109.5° |
| N2 | C1 | H12 | 109.5° | 109.4° |
| N2 | C8 | C6 | 100.3° | 103.6° |
| N2 | C8 | C10 | 111.6° | 110.6° |
| C8 | N2 | C3 | 113.4° | 106.7° |
| C6 | C8 | C10 | 110.3° | 110.8° |
| C8 | C6 | O7 | 126.7° | 127.1° |
| C8 | C6 | N5 | 107.0° | 105.7° |
| C8 | C10 | H19 | 109.5° | 109.5° |
| C8 | C10 | H18 | 109.5° | 109.5° |
| C8 | C10 | H20 | 109.5° | 109.5° |
| N2 | C3 | O4 | 127.3° | 123.8° |
| N2 | C3 | N5 | 106.5° | 112.4° |
| O4 | C3 | N5 | 126.1° | 123.8° |
| C3 | N5 | C6 | 112.7° | 111.6° |
| C3 | N5 | H14 | 123.6° | 124.2° |
| O7 | C6 | N5 | 126.3° | 127.1° |
| C6 | N5 | H14 | 123.6° | 124.2° |
| H11 | C1 | H13 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.4° | 109.4° |
| H13 | C1 | H12 | 109.5° | 109.5° |
| H19 | C10 | H18 | 109.5° | 109.5° |
| H19 | C10 | H20 | 109.5° | 109.5° |
| H18 | C10 | H20 | 109.5° | 109.4° |
| H15 | C9 | H16 | 109.5° | 109.4° |
| H15 | C9 | H17 | 109.4° | 109.5° |
| H16 | C9 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | N2 | C1 | 67.4° | 61.4° |
| C9 | C8 | N2 | C6 | 116.9° | 118.3° |
| C9 | C8 | N2 | C10 | 126.3° | 123.0° |
| C9 | C8 | C6 | C10 | 123.9° | 123.0° |
| C9 | C8 | N2 | C3 | 116.3° | 118.5° |
| C9 | C8 | C6 | O7 | 60.9° | 61.4° |
| C9 | C8 | C6 | N5 | 119.2° | 118.5° |
| C9 | C8 | C10 | H19 | 180.0° | 177.1° |
| C9 | C8 | C10 | H18 | 60.0° | 57.1° |
| C9 | C8 | C10 | H20 | 60.0° | 62.9° |
| C8 | C9 | H15 | H16 | 120.0° | 119.9° |
| C8 | C9 | H15 | H17 | 120.0° | 120.0° |
| C8 | C9 | H16 | H17 | 120.0° | 120.0° |
| C1 | N2 | C8 | C3 | 176.3° | 179.9° |
| C1 | N2 | C8 | C6 | 175.7° | 179.8° |
| C1 | N2 | C8 | C10 | 58.9° | 61.6° |
| C1 | N2 | C3 | O4 | 5.6° | 0.1° |
| C1 | N2 | C3 | N5 | 174.5° | 179.7° |
| N2 | C1 | H11 | H13 | 120.0° | 120.1° |
| N2 | C1 | H11 | H12 | 120.0° | 120.0° |
| N2 | C1 | H13 | H12 | 120.0° | 120.0° |
| N2 | C8 | C6 | C10 | 117.8° | 118.6° |
| C8 | N2 | C3 | O4 | 178.1° | 180.0° |
| C8 | N2 | C3 | N5 | 1.8° | 0.2° |
| N2 | C8 | C6 | O7 | 179.2° | 179.8° |
| N2 | C8 | C6 | N5 | 0.9° | 0.1° |
| C8 | N2 | C1 | H11 | 180.0° | 90.0° |
| C8 | N2 | C1 | H13 | 60.0° | 150.0° |
| C8 | N2 | C1 | H12 | 60.0° | 30.0° |
| N2 | C8 | C10 | H19 | 53.5° | 60.0° |
| N2 | C8 | C10 | H18 | 173.5° | 180.0° |
| N2 | C8 | C10 | H20 | 66.5° | 60.0° |
| N2 | C8 | C9 | H15 | 180.0° | 60.1° |
| N2 | C8 | C9 | H16 | 60.0° | 180.0° |
| N2 | C8 | C9 | H17 | 60.0° | 60.0° |
| C6 | C8 | N2 | C3 | 0.6° | 0.2° |
| C8 | C6 | N5 | C3 | 2.1° | 0.1° |
| C8 | C6 | O7 | N5 | 179.9° | 179.9° |
| C6 | C8 | C10 | H19 | 57.0° | 54.3° |
| C6 | C8 | C10 | H18 | 63.0° | 65.8° |
| C6 | C8 | C10 | H20 | 177.1° | 174.3° |
| C8 | C6 | N5 | H14 | 177.9° | 179.9° |
| C6 | C8 | C9 | H15 | 69.2° | 174.1° |
| C6 | C8 | C9 | H16 | 50.8° | 66.0° |
| C6 | C8 | C9 | H17 | 170.8° | 54.1° |
| C10 | C8 | N2 | C3 | 117.4° | 118.5° |
| C10 | C8 | C6 | O7 | 63.0° | 61.6° |
| C10 | C8 | C6 | N5 | 116.9° | 118.5° |
| C8 | C10 | H19 | H18 | 120.0° | 120.0° |
| C8 | C10 | H19 | H20 | 120.0° | 120.0° |
| C8 | C10 | H18 | H20 | 120.0° | 120.0° |
| C10 | C8 | C9 | H15 | 53.8° | 62.9° |
| C10 | C8 | C9 | H16 | 173.8° | 57.1° |
| C10 | C8 | C9 | H17 | 66.2° | 177.1° |
| N2 | C3 | O4 | N5 | 179.8° | 179.8° |
| N2 | C3 | N5 | C6 | 2.4° | 0.2° |
| C3 | N2 | C1 | H11 | 4.1° | 90.0° |
| C3 | N2 | C1 | H13 | 115.9° | 30.1° |
| C3 | N2 | C1 | H12 | 124.1° | 150.1° |
| N2 | C3 | N5 | H14 | 177.6° | 179.8° |
| O4 | C3 | N5 | C6 | 177.4° | 180.0° |
| O4 | C3 | N5 | H14 | 2.6° | 0.0° |
| C3 | N5 | C6 | O7 | 178.0° | 180.0° |
| C3 | N5 | C6 | H14 | 180.0° | 180.0° |
| O7 | C6 | N5 | H14 | 2.0° | 0.0° |
| H11 | C1 | H13 | H12 | 120.0° | 119.9° |
| H19 | C10 | H18 | H20 | 120.0° | 120.0° |
| H15 | C9 | H16 | H17 | 120.0° | 120.1° |
