YHX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | N02 | sing | 1.22Å | 1.30Å | |
| N02 | O03 | doub | 1.22Å | 1.22Å | |
| N02 | C04 | sing | 1.48Å | 1.44Å | |
| C04 | C05 | doub | 1.37Å | 1.40Å | Aromatic |
| C04 | C10 | sing | 1.41Å | 1.45Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.40Å | Aromatic |
| C06 | N07 | doub | 1.31Å | 1.34Å | Aromatic |
| N07 | O08 | sing | 1.42Å | 1.30Å | |
| N07 | C09 | sing | 1.34Å | 1.38Å | Aromatic |
| C09 | C10 | doub | 1.42Å | 1.37Å | Aromatic |
| C09 | C14 | sing | 1.40Å | 1.43Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.43Å | Aromatic |
| C11 | C12 | doub | 1.36Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.36Å | 1.39Å | Aromatic |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | N02 | O03 | 118.5° | 120.0° |
| O01 | N02 | C04 | 118.5° | 120.0° |
| O03 | N02 | C04 | 123.0° | 120.0° |
| N02 | C04 | C05 | 117.4° | 120.9° |
| N02 | C04 | C10 | 125.2° | 120.9° |
| C05 | C04 | C10 | 117.4° | 118.2° |
| C04 | C05 | C06 | 120.7° | 120.0° |
| C04 | C05 | H05 | 119.7° | 120.1° |
| C04 | C10 | C09 | 118.6° | 119.0° |
| C04 | C10 | C11 | 123.2° | 121.4° |
| C05 | C06 | N07 | 120.5° | 121.7° |
| C06 | C05 | H05 | 119.6° | 120.0° |
| C05 | C06 | H06 | 119.7° | 119.1° |
| C06 | N07 | O08 | 119.7° | 119.3° |
| C06 | N07 | C09 | 120.8° | 121.3° |
| N07 | C06 | H06 | 119.7° | 119.2° |
| O08 | N07 | C09 | 119.5° | 119.3° |
| N07 | C09 | C10 | 121.9° | 119.8° |
| N07 | C09 | C14 | 117.2° | 121.1° |
| C10 | C09 | C14 | 120.9° | 119.1° |
| C09 | C10 | C11 | 118.2° | 119.6° |
| C09 | C14 | C13 | 120.3° | 119.8° |
| C09 | C14 | H14 | 119.8° | 120.2° |
| C10 | C11 | C12 | 120.8° | 119.6° |
| C10 | C11 | H11 | 119.6° | 120.2° |
| C11 | C12 | C13 | 120.3° | 120.9° |
| C12 | C11 | H11 | 119.6° | 120.2° |
| C11 | C12 | H12 | 119.8° | 119.6° |
| C12 | C13 | C14 | 119.4° | 121.1° |
| C13 | C12 | H12 | 119.8° | 119.6° |
| C12 | C13 | H13 | 120.3° | 119.4° |
| C13 | C14 | H14 | 119.8° | 120.1° |
| C14 | C13 | H13 | 120.3° | 119.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | N02 | O03 | C04 | 179.8° | 179.7° |
| O01 | N02 | C04 | C05 | 4.4° | 142.6° |
| O01 | N02 | C04 | C10 | 175.7° | 37.6° |
| O03 | N02 | C04 | C05 | 175.4° | 37.8° |
| O03 | N02 | C04 | C10 | 4.6° | 142.0° |
| N02 | C04 | C05 | C10 | 180.0° | 179.8° |
| N02 | C04 | C05 | C06 | 179.9° | 180.0° |
| N02 | C04 | C10 | C09 | 180.0° | 179.7° |
| N02 | C04 | C10 | C11 | 0.0° | 0.1° |
| N02 | C04 | C05 | H05 | 0.1° | 0.1° |
| C04 | C05 | C06 | H05 | 180.0° | 179.9° |
| C04 | C05 | C06 | N07 | 0.0° | 0.0° |
| C05 | C04 | C10 | C09 | 0.0° | 0.5° |
| C05 | C04 | C10 | C11 | 179.9° | 179.7° |
| C04 | C05 | C06 | H06 | 180.0° | 180.0° |
| C10 | C04 | C05 | C06 | 0.0° | 0.2° |
| C04 | C10 | C09 | N07 | 0.1° | 0.5° |
| C04 | C10 | C09 | C11 | 180.0° | 179.8° |
| C04 | C10 | C09 | C14 | 179.9° | 179.8° |
| C04 | C10 | C11 | C12 | 180.0° | 180.0° |
| C10 | C04 | C05 | H05 | 180.0° | 179.7° |
| C04 | C10 | C11 | H11 | 0.0° | 0.0° |
| C05 | C06 | N07 | H06 | 180.0° | 180.0° |
| C05 | C06 | N07 | O08 | 180.0° | 180.0° |
| C05 | C06 | N07 | C09 | 0.1° | 0.0° |
| C06 | N07 | O08 | C09 | 179.9° | 180.0° |
| C06 | N07 | C09 | C10 | 0.1° | 0.2° |
| C06 | N07 | C09 | C14 | 179.9° | 180.0° |
| N07 | C06 | C05 | H05 | 180.0° | 180.0° |
| O08 | N07 | C09 | C10 | 179.9° | 179.7° |
| O08 | N07 | C09 | C14 | 0.2° | 0.0° |
| O08 | N07 | C06 | H06 | 0.0° | 0.0° |
| N07 | C09 | C10 | C14 | 179.8° | 179.8° |
| N07 | C09 | C10 | C11 | 179.9° | 179.7° |
| N07 | C09 | C14 | C13 | 180.0° | 179.2° |
| C09 | N07 | C06 | H06 | 179.9° | 180.0° |
| N07 | C09 | C14 | H14 | 0.0° | 0.1° |
| C09 | C10 | C11 | C12 | 0.0° | 0.2° |
| C10 | C09 | C14 | C13 | 0.2° | 0.6° |
| C10 | C09 | C14 | H14 | 179.8° | 179.8° |
| C09 | C10 | C11 | H11 | 180.0° | 179.8° |
| C14 | C09 | C10 | C11 | 0.1° | 0.1° |
| C09 | C14 | C13 | C12 | 0.2° | 0.8° |
| C09 | C14 | C13 | H14 | 180.0° | 179.2° |
| C09 | C14 | C13 | H13 | 179.8° | 179.7° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C10 | C11 | C12 | H12 | 179.9° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.0° | 0.5° |
| C11 | C12 | C13 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | H13 | 180.0° | 179.5° |
| C12 | C13 | C14 | H14 | 179.8° | 180.0° |
| C13 | C12 | C11 | H11 | 179.9° | 180.0° |
| C14 | C13 | C12 | H12 | 180.0° | 179.5° |
| H05 | C05 | C06 | H06 | 0.0° | 0.1° |
| H14 | C14 | C13 | H13 | 0.2° | 0.4° |
| H11 | C11 | C12 | H12 | 0.1° | 0.0° |
| H12 | C12 | C13 | H13 | 0.0° | 0.0° |
