RYF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N13 | N12 | sing | 1.40Å | 1.36Å | Aromatic |
| N13 | C14 | doub | 1.30Å | 1.32Å | Aromatic |
| N12 | C11 | sing | 1.36Å | 1.36Å | Aromatic |
| C14 | C15 | sing | 1.41Å | 1.42Å | Aromatic |
| C11 | C15 | doub | 1.41Å | 1.37Å | Aromatic |
| C11 | N10 | sing | 1.33Å | 1.36Å | Aromatic |
| C15 | C07 | sing | 1.41Å | 1.42Å | Aromatic |
| N10 | C09 | doub | 1.32Å | 1.33Å | Aromatic |
| C07 | N06 | sing | 1.38Å | 1.46Å | |
| C07 | N08 | doub | 1.33Å | 1.33Å | Aromatic |
| N06 | C05 | sing | 1.40Å | 1.45Å | |
| C09 | N08 | sing | 1.32Å | 1.33Å | Aromatic |
| C04 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | I01 | sing | 2.09Å | 2.11Å | |
| N12 | H1 | sing | 0.97Å | 1.00Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| N06 | H5 | sing | 0.97Å | 1.00Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N12 | N13 | C14 | 109.0° | 109.7° |
| N13 | N12 | C11 | 109.1° | 108.3° |
| N13 | N12 | H1 | 125.4° | 125.8° |
| N13 | C14 | C15 | 107.8° | 108.4° |
| N13 | C14 | H7 | 126.1° | 125.8° |
| N12 | C11 | C15 | 107.5° | 106.6° |
| N12 | C11 | N10 | 133.6° | 134.6° |
| C11 | N12 | H1 | 125.4° | 125.9° |
| C14 | C15 | C11 | 106.7° | 107.1° |
| C14 | C15 | C07 | 134.5° | 134.6° |
| C15 | C14 | H7 | 126.1° | 125.8° |
| C15 | C11 | N10 | 118.9° | 118.8° |
| C11 | C15 | C07 | 118.9° | 118.3° |
| C11 | N10 | C09 | 120.8° | 120.7° |
| C15 | C07 | N06 | 118.2° | 120.9° |
| C15 | C07 | N08 | 118.8° | 118.4° |
| N10 | C09 | N08 | 121.4° | 122.7° |
| N10 | C09 | H6 | 119.3° | 118.6° |
| N06 | C07 | N08 | 123.0° | 120.8° |
| C07 | N06 | C05 | 125.1° | 120.0° |
| C07 | N06 | H5 | 117.5° | 120.0° |
| C07 | N08 | C09 | 121.1° | 121.1° |
| N06 | C05 | C04 | 117.4° | 120.0° |
| N06 | C05 | C16 | 123.3° | 120.1° |
| C05 | N06 | H5 | 117.4° | 120.0° |
| N08 | C09 | H6 | 119.3° | 118.7° |
| C05 | C04 | C03 | 120.5° | 119.9° |
| C04 | C05 | C16 | 119.4° | 119.9° |
| C05 | C04 | H4 | 119.7° | 120.0° |
| C04 | C03 | C02 | 119.8° | 120.1° |
| C04 | C03 | H3 | 120.1° | 120.0° |
| C03 | C04 | H4 | 119.8° | 120.1° |
| C05 | C16 | C17 | 120.2° | 120.0° |
| C05 | C16 | H8 | 119.9° | 120.0° |
| C03 | C02 | C17 | 120.1° | 120.1° |
| C03 | C02 | I01 | 120.2° | 120.0° |
| C02 | C03 | H3 | 120.1° | 119.9° |
| C16 | C17 | C02 | 120.1° | 120.1° |
| C16 | C17 | H2 | 119.9° | 120.0° |
| C17 | C16 | H8 | 119.9° | 120.0° |
| C17 | C02 | I01 | 119.7° | 120.0° |
| C02 | C17 | H2 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N13 | N12 | C11 | H1 | 180.0° | 179.7° |
| N12 | N13 | C14 | C15 | 0.1° | 0.3° |
| N13 | N12 | C11 | C15 | 0.1° | 0.3° |
| N13 | N12 | C11 | N10 | 180.0° | 179.7° |
| N12 | N13 | C14 | H7 | 180.0° | 179.9° |
| C14 | N13 | N12 | C11 | 0.1° | 0.0° |
| N13 | C14 | C15 | H7 | 180.0° | 179.6° |
| N13 | C14 | C15 | C11 | 0.0° | 0.5° |
| N13 | C14 | C15 | C07 | 179.7° | 179.9° |
| C14 | N13 | N12 | H1 | 179.9° | 179.7° |
| N12 | C11 | C15 | C14 | 0.0° | 0.4° |
| N12 | C11 | C15 | N10 | 180.0° | 180.0° |
| N12 | C11 | C15 | C07 | 179.7° | 180.0° |
| N12 | C11 | N10 | C09 | 180.0° | 180.0° |
| C14 | C15 | C11 | C07 | 179.8° | 179.5° |
| C14 | C15 | C11 | N10 | 180.0° | 179.6° |
| C14 | C15 | C07 | N06 | 0.9° | 0.6° |
| C14 | C15 | C07 | N08 | 179.6° | 179.4° |
| C15 | C11 | N10 | C09 | 0.0° | 0.1° |
| C11 | C15 | C07 | N06 | 179.4° | 180.0° |
| C11 | C15 | C07 | N08 | 0.7° | 0.0° |
| C15 | C11 | N12 | H1 | 179.9° | 180.0° |
| C11 | C15 | C14 | H7 | 180.0° | 179.9° |
| N10 | C11 | C15 | C07 | 0.2° | 0.0° |
| C11 | N10 | C09 | N08 | 0.2° | 0.1° |
| N10 | C11 | N12 | H1 | 0.1° | 0.0° |
| C11 | N10 | C09 | H6 | 179.8° | 180.0° |
| C15 | C07 | N06 | N08 | 178.6° | 180.0° |
| C15 | C07 | N06 | C05 | 151.4° | 174.5° |
| C15 | C07 | N08 | C09 | 0.9° | 0.0° |
| C15 | C07 | N06 | H5 | 28.6° | 5.5° |
| C07 | C15 | C14 | H7 | 0.3° | 0.5° |
| N10 | C09 | N08 | C07 | 0.7° | 0.1° |
| N10 | C09 | N08 | H6 | 180.0° | 179.9° |
| C07 | N06 | C05 | H5 | 180.0° | 180.0° |
| N06 | C07 | N08 | C09 | 179.5° | 180.0° |
| C07 | N06 | C05 | C04 | 175.8° | 32.8° |
| C07 | N06 | C05 | C16 | 4.4° | 146.9° |
| N08 | C07 | N06 | C05 | 30.0° | 5.6° |
| N08 | C07 | N06 | H5 | 150.0° | 174.4° |
| C07 | N08 | C09 | H6 | 179.4° | 180.0° |
| N06 | C05 | C04 | C16 | 179.9° | 179.7° |
| N06 | C05 | C04 | C03 | 180.0° | 180.0° |
| N06 | C05 | C16 | C17 | 179.9° | 179.7° |
| N06 | C05 | C04 | H4 | 0.1° | 0.3° |
| N06 | C05 | C16 | H8 | 0.1° | 0.3° |
| C05 | C04 | C03 | H4 | 180.0° | 179.8° |
| C05 | C04 | C03 | C02 | 0.0° | 0.0° |
| C04 | C05 | C16 | C17 | 0.2° | 0.5° |
| C05 | C04 | C03 | H3 | 179.9° | 180.0° |
| C04 | C05 | N06 | H5 | 4.2° | 147.2° |
| C04 | C05 | C16 | H8 | 179.8° | 180.0° |
| C03 | C04 | C05 | C16 | 0.1° | 0.2° |
| C04 | C03 | C02 | H3 | 180.0° | 180.0° |
| C04 | C03 | C02 | C17 | 0.1° | 0.0° |
| C04 | C03 | C02 | I01 | 179.9° | 180.0° |
| C05 | C16 | C17 | H8 | 180.0° | 179.5° |
| C05 | C16 | C17 | C02 | 0.2° | 0.6° |
| C05 | C16 | C17 | H2 | 179.8° | 179.8° |
| C16 | C05 | C04 | H4 | 179.9° | 180.0° |
| C16 | C05 | N06 | H5 | 175.6° | 33.1° |
| C03 | C02 | C17 | C16 | 0.0° | 0.4° |
| C03 | C02 | C17 | I01 | 180.0° | 179.9° |
| C03 | C02 | C17 | H2 | 180.0° | 180.0° |
| C02 | C03 | C04 | H4 | 179.9° | 179.7° |
| C16 | C17 | C02 | H2 | 180.0° | 179.6° |
| C16 | C17 | C02 | I01 | 180.0° | 179.7° |
| C17 | C02 | C03 | H3 | 179.9° | 179.9° |
| C02 | C17 | C16 | H8 | 179.8° | 179.9° |
| I01 | C02 | C17 | H2 | 0.0° | 0.1° |
| I01 | C02 | C03 | H3 | 0.1° | 0.0° |
| H2 | C17 | C16 | H8 | 0.2° | 0.3° |
| H3 | C03 | C04 | H4 | 0.1° | 0.2° |
