6XA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C7 | doub | 1.21Å | 1.23Å | |
| O9 | N8 | sing | 1.42Å | 1.40Å | |
| C7 | N8 | sing | 1.35Å | 1.32Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | N1 | sing | 1.47Å | 1.45Å | |
| 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 | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| N1 | H11 | sing | 1.01Å | 1.00Å | |
| N1 | H12 | sing | 1.01Å | 1.00Å | |
| N8 | H14 | sing | 0.97Å | 1.00Å | |
| O9 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C7 | N8 | 118.7° | 120.0° |
| O10 | C7 | C6 | 121.0° | 120.0° |
| O9 | N8 | C7 | 116.3° | 120.0° |
| O9 | N8 | H14 | 121.9° | 120.0° |
| N8 | O9 | H15 | 109.5° | 114.0° |
| N8 | C7 | C6 | 120.3° | 120.0° |
| C7 | N8 | H14 | 121.8° | 120.0° |
| C7 | C6 | C5 | 115.1° | 109.5° |
| C7 | C6 | H9 | 108.1° | 109.5° |
| C7 | C6 | H10 | 108.0° | 109.5° |
| C6 | C5 | C4 | 111.2° | 109.5° |
| C6 | C5 | H7 | 109.0° | 109.5° |
| C6 | C5 | H8 | 109.0° | 109.5° |
| C5 | C6 | H9 | 108.1° | 109.5° |
| C5 | C6 | H10 | 108.1° | 109.5° |
| C5 | C4 | C3 | 110.9° | 109.5° |
| C5 | C4 | H5 | 109.1° | 109.4° |
| C5 | C4 | H6 | 109.1° | 109.5° |
| C4 | C5 | H7 | 109.1° | 109.5° |
| C4 | C5 | H8 | 109.0° | 109.5° |
| C4 | C3 | C2 | 111.8° | 109.5° |
| C4 | C3 | H3 | 108.9° | 109.5° |
| C4 | C3 | H4 | 108.9° | 109.5° |
| C3 | C4 | H5 | 109.1° | 109.5° |
| C3 | C4 | H6 | 109.1° | 109.5° |
| C3 | C2 | N1 | 108.6° | 109.5° |
| C3 | C2 | H1 | 109.7° | 109.4° |
| C3 | C2 | H2 | 109.7° | 109.5° |
| C2 | C3 | H3 | 108.9° | 109.4° |
| C2 | C3 | H4 | 108.9° | 109.4° |
| N1 | C2 | H1 | 109.7° | 109.5° |
| N1 | C2 | H2 | 109.7° | 109.5° |
| C2 | N1 | H11 | 109.5° | 111.0° |
| C2 | N1 | H12 | 109.5° | 110.9° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.4° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| H11 | N1 | H12 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C7 | N8 | O9 | 0.1° | 0.1° |
| O10 | C7 | N8 | C6 | 178.8° | 179.9° |
| O10 | C7 | C6 | C5 | 137.6° | 0.0° |
| O10 | C7 | C6 | H9 | 16.7° | 120.0° |
| O10 | C7 | C6 | H10 | 101.6° | 120.0° |
| O10 | C7 | N8 | H14 | 179.9° | 180.0° |
| O9 | N8 | C7 | H14 | 180.0° | 179.9° |
| O9 | N8 | C7 | C6 | 178.9° | 180.0° |
| N8 | C7 | C6 | C5 | 43.6° | 180.0° |
| N8 | C7 | C6 | H9 | 164.5° | 60.0° |
| N8 | C7 | C6 | H10 | 77.2° | 60.0° |
| C7 | N8 | O9 | H15 | 0.1° | 180.0° |
| C7 | C6 | C5 | H9 | 120.8° | 120.0° |
| C7 | C6 | C5 | H10 | 120.8° | 120.0° |
| C7 | C6 | C5 | C4 | 178.7° | 180.0° |
| C7 | C6 | C5 | H7 | 58.4° | 60.0° |
| C7 | C6 | C5 | H8 | 61.0° | 60.0° |
| C7 | C6 | H9 | H10 | 117.4° | 120.0° |
| C6 | C7 | N8 | H14 | 1.0° | 0.0° |
| C6 | C5 | C4 | H7 | 120.3° | 120.0° |
| C6 | C5 | C4 | H8 | 120.2° | 120.0° |
| C6 | C5 | C4 | C3 | 96.9° | 180.0° |
| C6 | C5 | C4 | H5 | 23.3° | 60.0° |
| C6 | C5 | C4 | H6 | 142.9° | 60.0° |
| C6 | C5 | H7 | H8 | 119.2° | 120.0° |
| C5 | C6 | H9 | H10 | 117.5° | 120.0° |
| C5 | C4 | C3 | H5 | 120.2° | 120.0° |
| C5 | C4 | C3 | H6 | 120.2° | 120.0° |
| C5 | C4 | C3 | C2 | 166.2° | 180.0° |
| C5 | C4 | C3 | H3 | 45.9° | 60.1° |
| C5 | C4 | C3 | H4 | 73.4° | 60.0° |
| C5 | C4 | H5 | H6 | 119.4° | 119.9° |
| C4 | C5 | H7 | H8 | 119.2° | 120.0° |
| C4 | C5 | C6 | H9 | 60.5° | 60.0° |
| C4 | C5 | C6 | H10 | 57.9° | 60.0° |
| C4 | C3 | C2 | H3 | 120.4° | 120.0° |
| C4 | C3 | C2 | H4 | 120.3° | 120.0° |
| C4 | C3 | C2 | N1 | 55.7° | 180.0° |
| C4 | C3 | C2 | H1 | 64.2° | 60.0° |
| C4 | C3 | C2 | H2 | 175.5° | 60.0° |
| C4 | C3 | H3 | H4 | 118.9° | 120.1° |
| C3 | C4 | H5 | H6 | 119.3° | 120.0° |
| C3 | C4 | C5 | H7 | 142.8° | 60.0° |
| C3 | C4 | C5 | H8 | 23.3° | 60.0° |
| C3 | C2 | N1 | H1 | 119.9° | 120.0° |
| C3 | C2 | N1 | H2 | 119.8° | 120.0° |
| C3 | C2 | H1 | H2 | 120.4° | 120.0° |
| C2 | C3 | H3 | H4 | 119.0° | 120.0° |
| C2 | C3 | C4 | H5 | 73.6° | 60.0° |
| C2 | C3 | C4 | H6 | 46.0° | 60.0° |
| C3 | C2 | N1 | H11 | 180.0° | 56.0° |
| C3 | C2 | N1 | H12 | 60.0° | 180.0° |
| N1 | C2 | H1 | H2 | 120.4° | 120.0° |
| N1 | C2 | C3 | H3 | 176.1° | 60.0° |
| N1 | C2 | C3 | H4 | 64.6° | 60.0° |
| C2 | N1 | H11 | H12 | 120.0° | 123.9° |
| H1 | C2 | C3 | H3 | 56.2° | 60.0° |
| H1 | C2 | C3 | H4 | 175.5° | NaN° |
| H1 | C2 | N1 | H11 | 60.1° | 63.9° |
| H1 | C2 | N1 | H12 | 179.8° | 60.0° |
| H2 | C2 | C3 | H3 | 64.1° | 180.0° |
| H2 | C2 | C3 | H4 | 55.2° | 60.0° |
| H2 | C2 | N1 | H11 | 60.1° | 176.0° |
| H2 | C2 | N1 | H12 | 59.9° | 60.0° |
| H3 | C3 | C4 | H5 | 166.1° | 180.0° |
| H3 | C3 | C4 | H6 | 74.4° | 60.0° |
| H4 | C3 | C4 | H5 | 46.8° | 60.0° |
| H4 | C3 | C4 | H6 | 166.3° | 180.0° |
| H5 | C4 | C5 | H7 | 96.9° | 180.0° |
| H5 | C4 | C5 | H8 | 143.6° | 60.1° |
| H6 | C4 | C5 | H7 | 22.6° | 60.0° |
| H6 | C4 | C5 | H8 | 96.9° | 180.0° |
| H7 | C5 | C6 | H9 | 179.3° | 180.0° |
| H7 | C5 | C6 | H10 | 62.4° | 60.0° |
| H8 | C5 | C6 | H9 | 59.8° | 60.0° |
| H8 | C5 | C6 | H10 | 178.2° | 180.0° |
| H14 | N8 | O9 | H15 | 179.9° | 0.0° |
