FYV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | N13 | sing | 1.32Å | 1.35Å | Aromatic |
| C15 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| N13 | C12 | doub | 1.32Å | 1.35Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | N7 | sing | 1.33Å | 1.36Å | Aromatic |
| C10 | C9 | sing | 1.48Å | 1.50Å | |
| C10 | C11 | doub | 1.40Å | 1.41Å | Aromatic |
| C9 | N5 | sing | 1.37Å | 1.34Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| N7 | C6 | doub | 1.33Å | 1.38Å | Aromatic |
| N5 | C6 | sing | 1.37Å | 1.34Å | Aromatic |
| N5 | N4 | sing | 1.40Å | 1.41Å | Aromatic |
| C6 | C1 | sing | 1.41Å | 1.40Å | Aromatic |
| N4 | C3 | doub | 1.31Å | 1.34Å | Aromatic |
| C1 | C2 | doub | 1.36Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | N13 | 120.2° | 120.9° |
| C14 | C15 | C10 | 118.4° | 119.0° |
| C15 | C14 | H1 | 119.9° | 119.6° |
| C14 | C15 | H2 | 120.8° | 120.5° |
| C14 | N13 | C12 | 122.7° | 122.1° |
| N13 | C14 | H1 | 119.9° | 119.5° |
| C15 | C10 | C9 | 118.4° | 121.0° |
| C15 | C10 | C11 | 120.4° | 118.1° |
| C10 | C15 | H2 | 120.8° | 120.5° |
| N13 | C12 | C11 | 120.0° | 120.9° |
| N13 | C12 | H3 | 120.0° | 119.5° |
| C9 | C8 | N7 | 104.7° | 108.3° |
| C8 | C9 | C10 | 132.7° | 126.6° |
| C8 | C9 | N5 | 110.1° | 106.7° |
| C9 | C8 | H7 | 127.6° | 125.9° |
| C8 | N7 | C6 | 109.2° | 109.5° |
| N7 | C8 | H7 | 127.6° | 125.8° |
| C9 | C10 | C11 | 121.1° | 120.9° |
| C10 | C9 | N5 | 117.2° | 126.6° |
| C10 | C11 | C12 | 118.3° | 119.0° |
| C10 | C11 | H4 | 120.9° | 120.5° |
| C9 | N5 | C6 | 107.8° | 107.0° |
| C9 | N5 | N4 | 128.3° | 132.9° |
| C11 | C12 | H3 | 120.0° | 119.6° |
| C12 | C11 | H4 | 120.8° | 120.5° |
| N7 | C6 | N5 | 108.1° | 108.5° |
| N7 | C6 | C1 | 134.1° | 132.4° |
| C6 | N5 | N4 | 123.8° | 120.1° |
| N5 | C6 | C1 | 117.8° | 119.1° |
| N5 | N4 | C3 | 118.5° | 120.6° |
| C6 | C1 | C2 | 119.5° | 119.2° |
| C6 | C1 | H8 | 120.2° | 120.5° |
| N4 | C3 | C2 | 120.1° | 120.9° |
| N4 | C3 | H5 | 119.9° | 119.6° |
| C1 | C2 | C3 | 120.2° | 120.2° |
| C1 | C2 | H6 | 119.9° | 119.9° |
| C2 | C1 | H8 | 120.3° | 120.4° |
| C2 | C3 | H5 | 120.0° | 119.6° |
| C3 | C2 | H6 | 119.9° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | N13 | H1 | 180.0° | 179.7° |
| C14 | C15 | C10 | H2 | 180.0° | 180.0° |
| C15 | C14 | N13 | C12 | 0.1° | 0.0° |
| C14 | C15 | C10 | C9 | 178.9° | 180.0° |
| C14 | C15 | C10 | C11 | 0.2° | 0.1° |
| N13 | C14 | C15 | C10 | 0.5° | 0.0° |
| C14 | N13 | C12 | C11 | 0.6° | 0.0° |
| N13 | C14 | C15 | H2 | 179.5° | 180.0° |
| C14 | N13 | C12 | H3 | 179.4° | 179.9° |
| C15 | C10 | C9 | C8 | 19.2° | 4.6° |
| C15 | C10 | C9 | C11 | 179.1° | 179.9° |
| C15 | C10 | C9 | N5 | 161.8° | 175.0° |
| C15 | C10 | C11 | C12 | 0.4° | 0.1° |
| C10 | C15 | C14 | H1 | 179.5° | 179.7° |
| C15 | C10 | C11 | H4 | 179.6° | 180.0° |
| N13 | C12 | C11 | C10 | 0.8° | 0.0° |
| N13 | C12 | C11 | H3 | 180.0° | 179.9° |
| C12 | N13 | C14 | H1 | 180.0° | 179.7° |
| N13 | C12 | C11 | H4 | 179.2° | 180.0° |
| C9 | C8 | N7 | H7 | 180.0° | 180.0° |
| C8 | C9 | C10 | N5 | 179.0° | 179.6° |
| C8 | C9 | C10 | C11 | 159.9° | 175.3° |
| C9 | C8 | N7 | C6 | 0.2° | 0.2° |
| C8 | C9 | N5 | C6 | 0.7° | 0.3° |
| C8 | C9 | N5 | N4 | 179.4° | 179.8° |
| N7 | C8 | C9 | C10 | 179.3° | 180.0° |
| N7 | C8 | C9 | N5 | 0.3° | 0.3° |
| C8 | N7 | C6 | N5 | 0.6° | 0.0° |
| C8 | N7 | C6 | C1 | 179.4° | 179.8° |
| C9 | C10 | C11 | C12 | 179.5° | 180.0° |
| C10 | C9 | N5 | C6 | 179.8° | 180.0° |
| C10 | C9 | N5 | N4 | 0.2° | 0.1° |
| C9 | C10 | C15 | H2 | 1.1° | 0.1° |
| C9 | C10 | C11 | H4 | 0.5° | 0.1° |
| C10 | C9 | C8 | H7 | 0.7° | 0.0° |
| C11 | C10 | C9 | N5 | 19.0° | 5.1° |
| C10 | C11 | C12 | H4 | 180.0° | 180.0° |
| C11 | C10 | C15 | H2 | 179.8° | 180.0° |
| C10 | C11 | C12 | H3 | 179.2° | 179.9° |
| C9 | N5 | C6 | N7 | 0.8° | 0.2° |
| C9 | N5 | C6 | N4 | 180.0° | 179.9° |
| C9 | N5 | C6 | C1 | 179.8° | 180.0° |
| C9 | N5 | N4 | C3 | 180.0° | 179.9° |
| N5 | C9 | C8 | H7 | 179.7° | 179.7° |
| N7 | C6 | N5 | C1 | 179.1° | 179.9° |
| N7 | C6 | N5 | N4 | 179.3° | 179.9° |
| N7 | C6 | C1 | C2 | 178.9° | 179.8° |
| C6 | N7 | C8 | H7 | 179.8° | 179.8° |
| N7 | C6 | C1 | H8 | 1.1° | 0.2° |
| C6 | N5 | N4 | C3 | 0.1° | 0.0° |
| N5 | C6 | C1 | C2 | 0.1° | 0.0° |
| N5 | C6 | C1 | H8 | 179.9° | 180.0° |
| N4 | N5 | C6 | C1 | 0.2° | 0.0° |
| N5 | N4 | C3 | C2 | 0.2° | 0.0° |
| N5 | N4 | C3 | H5 | 179.8° | 180.0° |
| C6 | C1 | C2 | H8 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.0° |
| C6 | C1 | C2 | H6 | 180.0° | 179.9° |
| N4 | C3 | C2 | C1 | 0.2° | 0.0° |
| N4 | C3 | C2 | H5 | 180.0° | 180.0° |
| N4 | C3 | C2 | H6 | 179.8° | 179.9° |
| C1 | C2 | C3 | H6 | 180.0° | 179.9° |
| C1 | C2 | C3 | H5 | 179.8° | 180.0° |
| C3 | C2 | C1 | H8 | 179.9° | 179.9° |
| H1 | C14 | C15 | H2 | 0.5° | 0.3° |
| H3 | C12 | C11 | H4 | 0.8° | 0.1° |
| H5 | C3 | C2 | H6 | 0.2° | 0.1° |
| H6 | C2 | C1 | H8 | 0.0° | 0.0° |
