WHL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CK | CJ | sing | 1.51Å | 1.49Å | |
| CJ | NB | sing | 1.35Å | 1.35Å | |
| CJ | OA | doub | 1.21Å | 1.23Å | |
| NB | CC | sing | 1.40Å | 1.36Å | |
| CC | CB | doub | 1.39Å | 1.40Å | Aromatic |
| CC | CD | sing | 1.39Å | 1.38Å | Aromatic |
| CB | CA | sing | 1.38Å | 1.39Å | Aromatic |
| CD | CE | doub | 1.38Å | 1.38Å | Aromatic |
| CA | CF | doub | 1.39Å | 1.40Å | Aromatic |
| CE | CF | sing | 1.39Å | 1.39Å | Aromatic |
| CF | NA | sing | 1.40Å | 1.41Å | |
| OB | CG | doub | 1.21Å | 1.23Å | |
| NA | CG | sing | 1.35Å | 1.34Å | |
| CG | CH | sing | 1.51Å | 1.50Å | |
| CA | H1 | sing | 1.08Å | 1.08Å | |
| CB | H2 | sing | 1.08Å | 1.08Å | |
| NB | H3 | sing | 0.97Å | 1.00Å | |
| CD | H4 | sing | 1.08Å | 1.08Å | |
| CE | H5 | sing | 1.08Å | 1.08Å | |
| CH | H6 | sing | 1.09Å | 1.10Å | |
| CH | H7 | sing | 1.09Å | 1.10Å | |
| CH | H8 | sing | 1.09Å | 1.10Å | |
| CK | H9 | sing | 1.09Å | 1.10Å | |
| CK | H10 | sing | 1.09Å | 1.10Å | |
| CK | H11 | sing | 1.09Å | 1.10Å | |
| NA | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CK | CJ | NB | 113.2° | 120.0° |
| CK | CJ | OA | 118.0° | 120.0° |
| CJ | CK | H9 | 109.5° | 109.5° |
| CJ | CK | H10 | 109.5° | 109.5° |
| CJ | CK | H11 | 109.5° | 109.5° |
| NB | CJ | OA | 128.7° | 120.0° |
| CJ | NB | CC | 126.2° | 120.0° |
| CJ | NB | H3 | 116.9° | 120.0° |
| NB | CC | CB | 121.6° | 120.0° |
| NB | CC | CD | 119.7° | 120.0° |
| CC | NB | H3 | 116.9° | 120.0° |
| CB | CC | CD | 118.7° | 120.0° |
| CC | CB | CA | 119.6° | 120.0° |
| CC | CB | H2 | 120.2° | 120.0° |
| CC | CD | CE | 121.9° | 120.0° |
| CC | CD | H4 | 119.1° | 120.0° |
| CB | CA | CF | 121.2° | 120.0° |
| CB | CA | H1 | 119.4° | 120.0° |
| CA | CB | H2 | 120.2° | 120.0° |
| CD | CE | CF | 119.9° | 120.0° |
| CE | CD | H4 | 119.0° | 120.0° |
| CD | CE | H5 | 120.1° | 120.0° |
| CA | CF | CE | 118.7° | 120.0° |
| CA | CF | NA | 123.3° | 120.0° |
| CF | CA | H1 | 119.4° | 120.0° |
| CE | CF | NA | 118.0° | 120.0° |
| CF | CE | H5 | 120.1° | 120.0° |
| CF | NA | CG | 127.1° | 120.0° |
| CF | NA | H12 | 116.5° | 120.0° |
| OB | CG | NA | 125.6° | 120.0° |
| OB | CG | CH | 121.8° | 120.0° |
| NA | CG | CH | 112.6° | 120.0° |
| CG | NA | H12 | 116.5° | 120.0° |
| CG | CH | H6 | 109.5° | 109.5° |
| CG | CH | H7 | 109.4° | 109.5° |
| CG | CH | H8 | 109.4° | 109.5° |
| H6 | CH | H7 | 109.5° | 109.4° |
| H6 | CH | H8 | 109.5° | 109.5° |
| H7 | CH | H8 | 109.5° | 109.4° |
| H9 | CK | H10 | 109.5° | 109.5° |
| H9 | CK | H11 | 109.4° | 109.4° |
| H10 | CK | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CK | CJ | NB | OA | 178.2° | 180.0° |
| CK | CJ | NB | CC | 179.2° | 175.3° |
| CK | CJ | NB | H3 | 0.9° | 4.6° |
| CJ | CK | H9 | H10 | 120.0° | 120.1° |
| CJ | CK | H9 | H11 | 120.0° | 119.9° |
| CJ | CK | H10 | H11 | 120.0° | 120.0° |
| CJ | NB | CC | H3 | 180.0° | 180.0° |
| CJ | NB | CC | CB | 179.6° | 144.6° |
| CJ | NB | CC | CD | 0.2° | 35.4° |
| NB | CJ | CK | H9 | 178.5° | 0.1° |
| NB | CJ | CK | H10 | 58.4° | 120.0° |
| NB | CJ | CK | H11 | 61.6° | 120.0° |
| OA | CJ | NB | CC | 0.9° | 4.6° |
| OA | CJ | NB | H3 | 179.1° | 175.4° |
| OA | CJ | CK | H9 | 0.0° | 180.0° |
| OA | CJ | CK | H10 | 120.0° | 60.0° |
| OA | CJ | CK | H11 | 120.0° | 60.1° |
| NB | CC | CB | CD | 179.8° | 180.0° |
| NB | CC | CB | CA | 179.8° | 179.9° |
| NB | CC | CD | CE | 179.8° | 179.6° |
| NB | CC | CB | H2 | 0.2° | 0.0° |
| NB | CC | CD | H4 | 0.2° | 0.3° |
| CC | CB | CA | H2 | 180.0° | 179.9° |
| CB | CC | CD | CE | 0.0° | 0.4° |
| CC | CB | CA | CF | 0.2° | 0.0° |
| CC | CB | CA | H1 | 179.8° | 179.8° |
| CB | CC | NB | H3 | 0.4° | 35.4° |
| CB | CC | CD | H4 | 179.9° | 179.7° |
| CD | CC | CB | CA | 0.0° | 0.1° |
| CC | CD | CE | H4 | 180.0° | 179.4° |
| CC | CD | CE | CF | 0.3° | 0.6° |
| CD | CC | CB | H2 | 180.0° | 180.0° |
| CD | CC | NB | H3 | 179.8° | 144.6° |
| CC | CD | CE | H5 | 179.7° | 179.4° |
| CB | CA | CF | H1 | 180.0° | 179.7° |
| CB | CA | CF | CE | 0.5° | 0.3° |
| CB | CA | CF | NA | 179.3° | 179.7° |
| CD | CE | CF | CA | 0.6° | 0.6° |
| CD | CE | CF | H5 | 180.0° | 180.0° |
| CD | CE | CF | NA | 179.5° | 179.4° |
| CA | CF | CE | NA | 178.9° | 180.0° |
| CA | CF | NA | CG | 1.5° | 33.5° |
| CF | CA | CB | H2 | 179.8° | 180.0° |
| CA | CF | CE | H5 | 179.4° | 179.5° |
| CA | CF | NA | H12 | 178.5° | 146.5° |
| CE | CF | NA | CG | 177.3° | 146.6° |
| CE | CF | CA | H1 | 179.5° | 180.0° |
| CF | CE | CD | H4 | 179.6° | 180.0° |
| CE | CF | NA | H12 | 2.7° | 33.4° |
| CF | NA | CG | OB | 1.1° | 5.1° |
| CF | NA | CG | H12 | 180.0° | 180.0° |
| CF | NA | CG | CH | 178.8° | 174.9° |
| NA | CF | CA | H1 | 0.7° | 0.1° |
| NA | CF | CE | H5 | 0.5° | 0.6° |
| OB | CG | NA | CH | 179.9° | 180.0° |
| OB | CG | CH | H6 | 0.0° | 90.0° |
| OB | CG | CH | H7 | 120.0° | 150.0° |
| OB | CG | CH | H8 | 120.0° | 30.0° |
| OB | CG | NA | H12 | 178.9° | 174.9° |
| NA | CG | CH | H6 | 179.9° | 90.0° |
| NA | CG | CH | H7 | 60.1° | 30.0° |
| NA | CG | CH | H8 | 59.9° | 150.0° |
| CG | CH | H6 | H7 | 120.0° | 120.0° |
| CG | CH | H6 | H8 | 120.0° | 120.1° |
| CG | CH | H7 | H8 | 120.0° | 120.0° |
| CH | CG | NA | H12 | 1.2° | 5.1° |
| H1 | CA | CB | H2 | 0.2° | 0.3° |
| H4 | CD | CE | H5 | 0.4° | 0.1° |
| H6 | CH | H7 | H8 | 120.0° | 119.9° |
| H9 | CK | H10 | H11 | 119.9° | 119.9° |
