RHW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C5 | sing | 1.39Å | 1.39Å | |
| N3 | C5 | doub | 1.33Å | 1.35Å | Aromatic |
| N3 | C1 | sing | 1.32Å | 1.34Å | Aromatic |
| N1 | C1 | sing | 1.39Å | 1.34Å | |
| C5 | C4 | sing | 1.39Å | 1.42Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | C3 | doub | 1.40Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | C6 | sing | 1.48Å | 1.50Å | |
| C6 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.43Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C9 | doub | 1.41Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.47Å | 1.44Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C9 | O1 | sing | 1.35Å | 1.37Å | Aromatic |
| C11 | C10 | doub | 1.34Å | 1.33Å | Aromatic |
| O1 | C10 | sing | 1.34Å | 1.38Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C5 | N3 | 117.6° | 119.6° |
| N2 | C5 | C4 | 122.3° | 119.6° |
| C5 | N2 | H4 | 109.5° | 120.0° |
| C5 | N2 | H5 | 109.4° | 120.0° |
| C5 | N3 | C1 | 120.4° | 121.8° |
| N3 | C5 | C4 | 119.8° | 120.8° |
| N3 | C1 | N1 | 116.0° | 119.6° |
| N3 | C1 | C2 | 122.5° | 120.9° |
| N1 | C1 | C2 | 121.4° | 119.6° |
| C1 | N1 | H1 | 109.5° | 120.0° |
| C1 | N1 | H2 | 109.5° | 120.0° |
| C5 | C4 | C3 | 121.0° | 119.1° |
| C5 | C4 | H6 | 119.6° | 120.5° |
| C1 | C2 | C3 | 118.8° | 119.1° |
| C1 | C2 | H3 | 120.6° | 120.5° |
| C4 | C3 | C2 | 117.4° | 118.4° |
| C4 | C3 | C6 | 121.5° | 120.8° |
| C3 | C4 | H6 | 119.5° | 120.5° |
| C2 | C3 | C6 | 121.0° | 120.8° |
| C3 | C2 | H3 | 120.6° | 120.5° |
| C3 | C6 | C13 | 120.3° | 120.0° |
| C3 | C6 | C7 | 121.0° | 120.0° |
| C13 | C6 | C7 | 118.7° | 120.0° |
| C6 | C13 | C12 | 119.2° | 119.5° |
| C6 | C13 | H11 | 120.4° | 120.2° |
| C6 | C7 | C8 | 123.3° | 120.6° |
| C6 | C7 | H7 | 118.4° | 119.8° |
| C13 | C12 | C9 | 119.7° | 120.3° |
| C13 | C12 | C11 | 134.3° | 134.2° |
| C12 | C13 | H11 | 120.4° | 120.3° |
| C7 | C8 | C9 | 115.0° | 120.1° |
| C8 | C7 | H7 | 118.4° | 119.7° |
| C7 | C8 | H8 | 122.5° | 120.0° |
| C9 | C12 | C11 | 105.8° | 105.5° |
| C12 | C9 | C8 | 124.1° | 119.5° |
| C12 | C9 | O1 | 109.6° | 107.2° |
| C12 | C11 | C10 | 106.2° | 106.2° |
| C12 | C11 | H10 | 126.9° | 126.9° |
| C8 | C9 | O1 | 126.3° | 133.3° |
| C9 | C8 | H8 | 122.5° | 119.9° |
| C9 | O1 | C10 | 106.1° | 110.9° |
| C11 | C10 | O1 | 112.3° | 110.1° |
| C11 | C10 | H9 | 123.8° | 124.9° |
| C10 | C11 | H10 | 126.9° | 126.9° |
| O1 | C10 | H9 | 123.9° | 124.9° |
| H1 | N1 | H2 | 109.5° | 119.9° |
| H4 | N2 | H5 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C5 | N3 | C4 | 173.9° | 179.4° |
| N2 | C5 | N3 | C1 | 177.1° | 180.0° |
| N2 | C5 | C4 | C3 | 177.8° | 179.8° |
| C5 | N2 | H4 | H5 | 120.0° | 180.0° |
| N2 | C5 | C4 | H6 | 2.2° | 0.3° |
| C5 | N3 | C1 | N1 | 178.7° | 179.7° |
| C5 | N3 | C1 | C2 | 0.5° | 0.1° |
| N3 | C5 | C4 | C3 | 4.3° | 0.8° |
| N3 | C5 | N2 | H4 | 0.0° | 0.0° |
| N3 | C5 | N2 | H5 | 120.0° | 180.0° |
| N3 | C5 | C4 | H6 | 175.7° | 179.7° |
| N3 | C1 | N1 | C2 | 179.3° | 179.8° |
| C1 | N3 | C5 | C4 | 3.3° | 0.6° |
| N3 | C1 | C2 | C3 | 1.4° | 0.2° |
| N3 | C1 | N1 | H1 | 0.0° | 179.8° |
| N3 | C1 | N1 | H2 | 120.0° | 0.3° |
| N3 | C1 | C2 | H3 | 178.7° | 179.7° |
| N1 | C1 | C2 | C3 | 179.4° | 180.0° |
| C1 | N1 | H1 | H2 | 120.0° | 179.9° |
| N1 | C1 | C2 | H3 | 0.5° | 0.0° |
| C5 | C4 | C3 | H6 | 180.0° | 179.5° |
| C5 | C4 | C3 | C2 | 2.4° | 0.5° |
| C5 | C4 | C3 | C6 | 179.1° | 179.4° |
| C4 | C5 | N2 | H4 | 173.7° | 179.4° |
| C4 | C5 | N2 | H5 | 66.3° | 0.6° |
| C1 | C2 | C3 | C4 | 0.4° | 0.0° |
| C1 | C2 | C3 | H3 | 180.0° | 180.0° |
| C1 | C2 | C3 | C6 | 178.2° | 180.0° |
| C2 | C1 | N1 | H1 | 179.3° | 0.0° |
| C2 | C1 | N1 | H2 | 60.7° | 179.9° |
| C4 | C3 | C2 | C6 | 178.6° | 180.0° |
| C4 | C3 | C6 | C13 | 15.3° | 0.0° |
| C4 | C3 | C6 | C7 | 167.3° | 180.0° |
| C4 | C3 | C2 | H3 | 179.7° | 180.0° |
| C2 | C3 | C6 | C13 | 163.2° | 180.0° |
| C2 | C3 | C6 | C7 | 14.2° | 0.0° |
| C2 | C3 | C4 | H6 | 177.6° | 180.0° |
| C3 | C6 | C13 | C7 | 177.4° | 180.0° |
| C3 | C6 | C13 | C12 | 175.5° | 180.0° |
| C3 | C6 | C7 | C8 | 176.8° | 180.0° |
| C6 | C3 | C2 | H3 | 1.8° | 0.0° |
| C6 | C3 | C4 | H6 | 0.9° | 0.1° |
| C3 | C6 | C7 | H7 | 3.1° | 0.0° |
| C3 | C6 | C13 | H11 | 4.5° | 0.0° |
| C6 | C13 | C12 | H11 | 180.0° | 180.0° |
| C13 | C6 | C7 | C8 | 0.6° | 0.0° |
| C6 | C13 | C12 | C9 | 2.5° | 0.0° |
| C6 | C13 | C12 | C11 | 175.8° | 179.9° |
| C13 | C6 | C7 | H7 | 179.5° | 180.0° |
| C7 | C6 | C13 | C12 | 1.9° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.3° | 0.0° |
| C6 | C7 | C8 | H8 | 179.7° | 180.0° |
| C7 | C6 | C13 | H11 | 178.1° | 180.0° |
| C13 | C12 | C9 | C11 | 175.0° | 179.9° |
| C13 | C12 | C9 | C8 | 1.6° | 0.1° |
| C13 | C12 | C9 | O1 | 176.0° | 180.0° |
| C13 | C12 | C11 | C10 | 175.6° | 179.9° |
| C13 | C12 | C11 | H10 | 4.4° | 0.1° |
| C7 | C8 | C9 | C12 | 0.3° | 0.1° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | O1 | 177.0° | 180.0° |
| C12 | C9 | C8 | O1 | 177.2° | 179.9° |
| C9 | C12 | C11 | C10 | 1.7° | 0.0° |
| C12 | C9 | O1 | C10 | 0.2° | 0.1° |
| C12 | C9 | C8 | H8 | 179.8° | 179.9° |
| C9 | C12 | C11 | H10 | 178.3° | 180.0° |
| C9 | C12 | C13 | H11 | 177.6° | 180.0° |
| C11 | C12 | C9 | C8 | 176.7° | 180.0° |
| C11 | C12 | C9 | O1 | 0.9° | 0.1° |
| C12 | C11 | C10 | H10 | 180.0° | 179.9° |
| C12 | C11 | C10 | O1 | 1.9° | 0.0° |
| C12 | C11 | C10 | H9 | 178.1° | 179.9° |
| C11 | C12 | C13 | H11 | 4.3° | 0.1° |
| C8 | C9 | O1 | C10 | 177.7° | 180.0° |
| C9 | C8 | C7 | H7 | 179.7° | 180.0° |
| C9 | O1 | C10 | C11 | 1.3° | 0.0° |
| O1 | C9 | C8 | H8 | 3.0° | 0.0° |
| C9 | O1 | C10 | H9 | 178.7° | 180.0° |
| C11 | C10 | O1 | H9 | 180.0° | 180.0° |
| O1 | C10 | C11 | H10 | 178.1° | 179.9° |
| H7 | C7 | C8 | H8 | 0.3° | 0.0° |
| H9 | C10 | C11 | H10 | 1.9° | 0.0° |
