0XT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N15 | C12 | sing | 1.38Å | 1.35Å | |
| C12 | N13 | doub | 1.32Å | 1.32Å | Aromatic |
| C12 | C10 | sing | 1.42Å | 1.33Å | Aromatic |
| N13 | C11 | sing | 1.33Å | 1.35Å | Aromatic |
| N7 | C10 | doub | 1.33Å | 1.35Å | Aromatic |
| N7 | C5 | sing | 1.31Å | 1.34Å | Aromatic |
| C10 | C6 | sing | 1.42Å | 1.39Å | Aromatic |
| C8 | C5 | sing | 1.51Å | 1.49Å | |
| C5 | C2 | doub | 1.40Å | 1.41Å | Aromatic |
| C11 | N14 | sing | 1.38Å | 1.37Å | |
| C11 | N9 | doub | 1.32Å | 1.35Å | Aromatic |
| C6 | N9 | sing | 1.34Å | 1.34Å | Aromatic |
| C6 | N4 | doub | 1.34Å | 1.34Å | Aromatic |
| C2 | N4 | sing | 1.32Å | 1.36Å | Aromatic |
| C2 | O1 | sing | 1.35Å | 1.39Å | |
| O1 | C3 | sing | 1.43Å | 1.41Å | |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| N14 | H4 | sing | 0.97Å | 1.00Å | |
| N14 | H5 | sing | 0.97Å | 1.00Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| N15 | H9 | sing | 0.97Å | 1.00Å | |
| N15 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N15 | C12 | N13 | 121.3° | 120.8° |
| N15 | C12 | C10 | 117.3° | 120.8° |
| C12 | N15 | H9 | 109.5° | 120.0° |
| C12 | N15 | H10 | 109.4° | 120.0° |
| N13 | C12 | C10 | 121.4° | 118.4° |
| C12 | N13 | C11 | 121.9° | 121.4° |
| C12 | C10 | N7 | 120.2° | 121.8° |
| C12 | C10 | C6 | 117.2° | 118.2° |
| N13 | C11 | N14 | 120.0° | 118.6° |
| N13 | C11 | N9 | 118.4° | 122.7° |
| C10 | N7 | C5 | 118.3° | 119.8° |
| N7 | C10 | C6 | 122.6° | 120.0° |
| N7 | C5 | C8 | 119.5° | 119.7° |
| N7 | C5 | C2 | 119.9° | 120.6° |
| C10 | C6 | N9 | 120.7° | 118.8° |
| C10 | C6 | N4 | 118.9° | 119.6° |
| C8 | C5 | C2 | 120.5° | 119.7° |
| C5 | C8 | H1 | 109.5° | 109.5° |
| C5 | C8 | H2 | 109.4° | 109.5° |
| C5 | C8 | H3 | 109.4° | 109.5° |
| C5 | C2 | N4 | 120.4° | 120.5° |
| C5 | C2 | O1 | 121.0° | 119.7° |
| N14 | C11 | N9 | 121.5° | 118.6° |
| C11 | N14 | H4 | 109.5° | 120.0° |
| C11 | N14 | H5 | 109.5° | 120.0° |
| C11 | N9 | C6 | 120.3° | 120.5° |
| N9 | C6 | N4 | 120.4° | 121.6° |
| C6 | N4 | C2 | 119.7° | 119.6° |
| N4 | C2 | O1 | 118.6° | 119.8° |
| C2 | O1 | C3 | 118.6° | 117.0° |
| O1 | C3 | H6 | 109.5° | 109.4° |
| O1 | C3 | H7 | 109.5° | 109.5° |
| O1 | C3 | H8 | 109.5° | 109.4° |
| H1 | C8 | H2 | 109.5° | 109.5° |
| H1 | C8 | H3 | 109.5° | 109.4° |
| H2 | C8 | H3 | 109.5° | 109.4° |
| H4 | N14 | H5 | 109.5° | 120.0° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H6 | C3 | H8 | 109.5° | 109.5° |
| H7 | C3 | H8 | 109.5° | 109.5° |
| H9 | N15 | H10 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N15 | C12 | N13 | C10 | 179.9° | 180.0° |
| N15 | C12 | N13 | C11 | 178.4° | 180.0° |
| N15 | C12 | C10 | N7 | 0.1° | 0.2° |
| N15 | C12 | C10 | C6 | 178.7° | 180.0° |
| C12 | N15 | H9 | H10 | 120.0° | 179.9° |
| N13 | C12 | C10 | N7 | 179.8° | 179.7° |
| N13 | C12 | C10 | C6 | 1.4° | 0.0° |
| C12 | N13 | C11 | N14 | 179.2° | 179.5° |
| C12 | N13 | C11 | N9 | 2.6° | 0.6° |
| N13 | C12 | N15 | H9 | 0.0° | 0.0° |
| N13 | C12 | N15 | H10 | 120.0° | 180.0° |
| C10 | C12 | N13 | C11 | 1.5° | 0.0° |
| C12 | C10 | N7 | C6 | 178.8° | 179.7° |
| C12 | C10 | N7 | C5 | 179.8° | 179.7° |
| C12 | C10 | C6 | N9 | 3.2° | 0.5° |
| C12 | C10 | C6 | N4 | 177.7° | 180.0° |
| C10 | C12 | N15 | H9 | 179.9° | 180.0° |
| C10 | C12 | N15 | H10 | 59.9° | 0.0° |
| N13 | C11 | N14 | N9 | 176.4° | 178.9° |
| N13 | C11 | N9 | C6 | 0.8° | 1.1° |
| N13 | C11 | N14 | H4 | 0.0° | 179.0° |
| N13 | C11 | N14 | H5 | 120.0° | 1.1° |
| C10 | N7 | C5 | C8 | 178.7° | 179.7° |
| C10 | N7 | C5 | C2 | 0.9° | 0.0° |
| N7 | C10 | C6 | N9 | 178.1° | 179.8° |
| N7 | C10 | C6 | N4 | 1.1° | 0.2° |
| C5 | N7 | C10 | C6 | 1.4° | 0.0° |
| N7 | C5 | C8 | C2 | 177.8° | 179.7° |
| N7 | C5 | C2 | N4 | 2.1° | 0.2° |
| N7 | C5 | C2 | O1 | 179.7° | 179.8° |
| N7 | C5 | C8 | H1 | 0.0° | 90.3° |
| N7 | C5 | C8 | H2 | 120.0° | 29.8° |
| N7 | C5 | C8 | H3 | 120.0° | 149.7° |
| C10 | C6 | N9 | C11 | 2.0° | 1.0° |
| C10 | C6 | N9 | N4 | 179.1° | 179.5° |
| C10 | C6 | N4 | C2 | 4.1° | 0.5° |
| C8 | C5 | C2 | N4 | 175.7° | 180.0° |
| C8 | C5 | C2 | O1 | 2.6° | 0.0° |
| C5 | C8 | H1 | H2 | 120.0° | 120.0° |
| C5 | C8 | H1 | H3 | 120.0° | 120.0° |
| C5 | C8 | H2 | H3 | 120.0° | 120.0° |
| C5 | C2 | N4 | C6 | 4.6° | 0.5° |
| C5 | C2 | N4 | O1 | 178.3° | 180.0° |
| C5 | C2 | O1 | C3 | 168.6° | 180.0° |
| C2 | C5 | C8 | H1 | 177.8° | 90.0° |
| C2 | C5 | C8 | H2 | 62.3° | 150.0° |
| C2 | C5 | C8 | H3 | 57.8° | 30.0° |
| N14 | C11 | N9 | C6 | 177.3° | 180.0° |
| C11 | N14 | H4 | H5 | 120.0° | 179.9° |
| C11 | N9 | C6 | N4 | 178.8° | 179.5° |
| N9 | C11 | N14 | H4 | 176.4° | 0.1° |
| N9 | C11 | N14 | H5 | 56.4° | 180.0° |
| N9 | C6 | N4 | C2 | 175.1° | 180.0° |
| C6 | N4 | C2 | O1 | 177.1° | 179.5° |
| N4 | C2 | O1 | C3 | 9.7° | 0.0° |
| C2 | O1 | C3 | H6 | 180.0° | 180.0° |
| C2 | O1 | C3 | H7 | 60.0° | 60.0° |
| C2 | O1 | C3 | H8 | 60.0° | 60.0° |
| O1 | C3 | H6 | H7 | 120.0° | 120.0° |
| O1 | C3 | H6 | H8 | 120.0° | 120.0° |
| O1 | C3 | H7 | H8 | 120.0° | 120.0° |
| H1 | C8 | H2 | H3 | 120.0° | 119.9° |
| H6 | C3 | H7 | H8 | 120.0° | 120.0° |
