RSK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| N2 | C1 | sing | 1.47Å | 1.48Å | |
| C9 | C8 | sing | 1.51Å | 1.49Å | |
| C1 | C8 | sing | 1.53Å | 1.54Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C8 | N1 | sing | 1.47Å | 1.47Å | |
| C2 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| C6 | H12 | sing | 1.08Å | 1.08Å | |
| C5 | H13 | sing | 1.08Å | 1.08Å | |
| C4 | H14 | sing | 1.08Å | 1.08Å | |
| C3 | H15 | sing | 1.08Å | 1.08Å | |
| N2 | H16 | sing | 1.01Å | 1.00Å | |
| N2 | H17 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C13 | 119.9° | 120.0° |
| C12 | C11 | C10 | 120.1° | 120.0° |
| C11 | C12 | H7 | 120.1° | 120.0° |
| C12 | C11 | H8 | 120.0° | 120.0° |
| C12 | C13 | C14 | 120.0° | 120.1° |
| C12 | C13 | H6 | 120.0° | 120.0° |
| C13 | C12 | H7 | 120.0° | 120.0° |
| C11 | C10 | C9 | 120.5° | 119.9° |
| C10 | C11 | H8 | 119.9° | 119.9° |
| C11 | C10 | H9 | 119.7° | 120.0° |
| C13 | C14 | C9 | 120.4° | 120.0° |
| C13 | C14 | H5 | 119.8° | 120.0° |
| C14 | C13 | H6 | 120.0° | 120.0° |
| C10 | C9 | C14 | 119.1° | 120.0° |
| C10 | C9 | C8 | 119.8° | 120.0° |
| C9 | C10 | H9 | 119.7° | 120.0° |
| C14 | C9 | C8 | 121.1° | 120.0° |
| C9 | C14 | H5 | 119.8° | 120.0° |
| N2 | C1 | C8 | 113.7° | 109.5° |
| N2 | C1 | C2 | 111.5° | 109.5° |
| N2 | C1 | H10 | 107.9° | 109.5° |
| C1 | N2 | H16 | 109.5° | 111.0° |
| C1 | N2 | H17 | 109.5° | 111.0° |
| C9 | C8 | C1 | 110.8° | 109.5° |
| C9 | C8 | N1 | 106.7° | 109.4° |
| C9 | C8 | H4 | 108.7° | 109.5° |
| C8 | C1 | C2 | 108.4° | 109.4° |
| C1 | C8 | N1 | 113.4° | 109.5° |
| C1 | C8 | H4 | 108.1° | 109.5° |
| C8 | C1 | H10 | 107.3° | 109.5° |
| C1 | C2 | C7 | 120.8° | 120.0° |
| C1 | C2 | C3 | 120.2° | 120.0° |
| C2 | C1 | H10 | 107.8° | 109.4° |
| C8 | N1 | H1 | 109.5° | 111.0° |
| C8 | N1 | H2 | 109.5° | 111.0° |
| N1 | C8 | H4 | 109.0° | 109.5° |
| C7 | C2 | C3 | 119.0° | 120.0° |
| C2 | C7 | C6 | 120.3° | 120.0° |
| C2 | C7 | H11 | 119.8° | 120.0° |
| C2 | C3 | C4 | 120.6° | 120.0° |
| C2 | C3 | H15 | 119.7° | 120.0° |
| C7 | C6 | C5 | 120.3° | 120.0° |
| C6 | C7 | H11 | 119.8° | 120.0° |
| C7 | C6 | H12 | 119.8° | 120.0° |
| C3 | C4 | C5 | 120.0° | 120.0° |
| C3 | C4 | H14 | 120.0° | 120.0° |
| C4 | C3 | H15 | 119.7° | 120.0° |
| C6 | C5 | C4 | 119.7° | 120.0° |
| C5 | C6 | H12 | 119.8° | 120.0° |
| C6 | C5 | H13 | 120.1° | 120.0° |
| C4 | C5 | H13 | 120.1° | 120.0° |
| C5 | C4 | H14 | 120.0° | 120.0° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| H16 | N2 | H17 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C13 | H7 | 180.0° | 179.7° |
| C12 | C11 | C10 | H8 | 180.0° | 179.8° |
| C11 | C12 | C13 | C14 | 0.0° | 0.0° |
| C12 | C11 | C10 | C9 | 0.1° | 0.6° |
| C11 | C12 | C13 | H6 | 180.0° | 180.0° |
| C12 | C11 | C10 | H9 | 179.9° | 180.0° |
| C13 | C12 | C11 | C10 | 0.1° | 0.3° |
| C12 | C13 | C14 | H6 | 180.0° | 180.0° |
| C12 | C13 | C14 | C9 | 0.2° | 0.0° |
| C12 | C13 | C14 | H5 | 179.8° | 180.0° |
| C13 | C12 | C11 | H8 | 179.9° | 179.9° |
| C11 | C10 | C9 | H9 | 180.0° | 179.4° |
| C11 | C10 | C9 | C14 | 0.3° | 0.6° |
| C11 | C10 | C9 | C8 | 179.4° | 179.7° |
| C10 | C11 | C12 | H7 | 179.9° | 180.0° |
| C13 | C14 | C9 | C10 | 0.4° | 0.3° |
| C13 | C14 | C9 | H5 | 180.0° | 180.0° |
| C13 | C14 | C9 | C8 | 179.5° | 180.0° |
| C14 | C13 | C12 | H7 | 180.0° | 179.7° |
| C10 | C9 | C14 | C8 | 179.1° | 179.7° |
| C10 | C9 | C8 | C1 | 97.6° | 80.3° |
| C10 | C9 | C8 | N1 | 138.4° | 39.7° |
| C10 | C9 | C8 | H4 | 21.0° | 159.7° |
| C10 | C9 | C14 | H5 | 179.6° | 179.7° |
| C9 | C10 | C11 | H8 | 179.9° | 179.7° |
| C14 | C9 | C8 | C1 | 83.3° | 100.0° |
| C14 | C9 | C8 | N1 | 40.7° | 140.0° |
| C14 | C9 | C8 | H4 | 158.1° | 20.0° |
| C9 | C14 | C13 | H6 | 179.8° | 180.0° |
| C14 | C9 | C10 | H9 | 179.7° | 180.0° |
| N2 | C1 | C8 | C9 | 68.4° | 60.0° |
| N2 | C1 | C8 | C2 | 124.6° | 120.0° |
| N2 | C1 | C8 | H10 | 119.3° | 120.0° |
| N2 | C1 | C2 | H10 | 118.3° | 120.0° |
| N2 | C1 | C8 | N1 | 171.6° | 180.0° |
| N2 | C1 | C2 | C7 | 42.6° | 140.0° |
| N2 | C1 | C2 | C3 | 138.4° | 40.2° |
| N2 | C1 | C8 | H4 | 50.6° | 60.0° |
| C1 | N2 | H16 | H17 | 120.0° | 124.0° |
| C9 | C8 | C1 | N1 | 120.0° | 120.0° |
| C9 | C8 | C1 | H4 | 119.0° | 120.0° |
| C9 | C8 | C1 | C2 | 167.0° | 180.0° |
| C9 | C8 | N1 | H4 | 117.2° | 120.0° |
| C9 | C8 | N1 | H1 | 180.0° | 176.0° |
| C9 | C8 | N1 | H2 | 60.0° | 60.0° |
| C8 | C9 | C14 | H5 | 0.5° | 0.0° |
| C8 | C9 | C10 | H9 | 0.6° | 0.3° |
| C9 | C8 | C1 | H10 | 50.9° | 60.0° |
| C8 | C1 | C2 | H10 | 115.8° | 120.0° |
| C1 | C8 | N1 | H4 | 120.4° | 120.1° |
| C8 | C1 | C2 | C7 | 83.4° | 100.0° |
| C8 | C1 | C2 | C3 | 95.7° | 79.8° |
| C1 | C8 | N1 | H1 | 57.7° | 64.0° |
| C1 | C8 | N1 | H2 | 62.3° | 59.9° |
| C8 | C1 | N2 | H16 | 180.0° | 60.0° |
| C8 | C1 | N2 | H17 | 60.0° | 64.0° |
| C2 | C1 | C8 | N1 | 47.0° | 60.0° |
| C1 | C2 | C7 | C3 | 179.1° | 179.8° |
| C1 | C2 | C7 | C6 | 179.6° | 180.0° |
| C1 | C2 | C3 | C4 | 179.5° | 179.7° |
| C2 | C1 | C8 | H4 | 74.0° | 60.1° |
| C1 | C2 | C7 | H11 | 0.4° | 0.1° |
| C1 | C2 | C3 | H15 | 0.5° | 0.1° |
| C2 | C1 | N2 | H16 | 57.1° | 60.0° |
| C2 | C1 | N2 | H17 | 62.9° | 176.0° |
| C8 | N1 | H1 | H2 | 120.0° | 123.9° |
| N1 | C8 | C1 | H10 | 69.1° | 59.9° |
| C2 | C7 | C6 | H11 | 180.0° | 179.9° |
| C7 | C2 | C3 | C4 | 0.5° | 0.5° |
| C2 | C7 | C6 | C5 | 0.3° | 0.1° |
| C7 | C2 | C1 | H10 | 160.8° | 20.0° |
| C2 | C7 | C6 | H12 | 179.7° | 179.9° |
| C7 | C2 | C3 | H15 | 179.5° | 179.7° |
| C3 | C2 | C7 | C6 | 0.5° | 0.3° |
| C2 | C3 | C4 | H15 | 180.0° | 179.8° |
| C2 | C3 | C4 | C5 | 0.2° | 0.5° |
| C3 | C2 | C1 | H10 | 20.1° | 160.2° |
| C3 | C2 | C7 | H11 | 179.5° | 179.8° |
| C2 | C3 | C4 | H14 | 179.8° | 179.8° |
| C7 | C6 | C5 | H12 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.0° | 0.1° |
| C7 | C6 | C5 | H13 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.3° |
| C3 | C4 | C5 | H14 | 180.0° | 179.8° |
| C3 | C4 | C5 | H13 | 179.9° | 179.8° |
| C6 | C5 | C4 | H13 | 180.0° | 179.9° |
| C5 | C6 | C7 | H11 | 179.7° | 179.9° |
| C6 | C5 | C4 | H14 | 180.0° | 180.0° |
| C4 | C5 | C6 | H12 | 180.0° | 179.9° |
| C5 | C4 | C3 | H15 | 179.8° | 179.7° |
| H1 | N1 | C8 | H4 | 62.8° | 56.1° |
| H2 | N1 | C8 | H4 | 177.2° | 180.0° |
| H4 | C8 | C1 | H10 | 169.9° | 180.0° |
| H5 | C14 | C13 | H6 | 0.2° | 0.0° |
| H6 | C13 | C12 | H7 | 0.0° | 0.3° |
| H7 | C12 | C11 | H8 | 0.1° | 0.3° |
| H8 | C11 | C10 | H9 | 0.1° | 0.2° |
| H10 | C1 | N2 | H16 | 61.1° | 180.0° |
| H10 | C1 | N2 | H17 | 178.9° | 56.1° |
| H11 | C7 | C6 | H12 | 0.3° | 0.1° |
| H12 | C6 | C5 | H13 | 0.0° | 0.0° |
| H13 | C5 | C4 | H14 | 0.1° | 0.1° |
| H14 | C4 | C3 | H15 | 0.2° | 0.1° |
