WIC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OT2 | C | doub | 1.21Å | 1.27Å | |
| C | OT1 | sing | 1.34Å | 1.26Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| CA | C13 | sing | 1.53Å | 1.51Å | |
| CA | OB | sing | 1.43Å | 1.36Å | |
| C13 | C14 | sing | 1.53Å | 1.49Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | O17 | sing | 1.43Å | 1.42Å | |
| O17 | C25 | sing | 1.36Å | 1.41Å | |
| C25 | C26 | doub | 1.39Å | 1.35Å | Aromatic |
| C25 | C30 | sing | 1.39Å | 1.37Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.35Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | CL24 | sing | 1.74Å | 1.73Å | |
| C28 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| OB | CG | sing | 1.36Å | 1.36Å | |
| CG | CD2 | doub | 1.39Å | 1.40Å | Aromatic |
| CG | CD1 | sing | 1.39Å | 1.39Å | Aromatic |
| CD2 | CE2 | sing | 1.38Å | 1.38Å | Aromatic |
| CE2 | CZ | doub | 1.38Å | 1.42Å | Aromatic |
| CZ | CH | sing | 1.51Å | 1.49Å | |
| CZ | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| CE1 | CD1 | doub | 1.38Å | 1.36Å | Aromatic |
| CA | HA1 | sing | 1.09Å | 1.10Å | |
| OT1 | H1 | sing | 0.97Å | 0.95Å | |
| CD1 | HD11 | sing | 1.08Å | 1.08Å | |
| CD2 | HD21 | sing | 1.08Å | 1.08Å | |
| CE1 | HE11 | sing | 1.08Å | 1.08Å | |
| CE2 | HE21 | sing | 1.08Å | 1.08Å | |
| CH | HH2 | sing | 1.09Å | 1.10Å | |
| CH | HH1 | sing | 1.09Å | 1.10Å | |
| CH | HH3 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OT2 | C | OT1 | 120.1° | 120.0° |
| OT2 | C | CA | 121.6° | 120.0° |
| OT1 | C | CA | 118.2° | 120.0° |
| C | OT1 | H1 | 109.5° | 117.0° |
| C | CA | C13 | 102.8° | 109.4° |
| C | CA | OB | 112.2° | 109.5° |
| C | CA | HA1 | 108.8° | 109.5° |
| C13 | CA | OB | 112.0° | 109.5° |
| CA | C13 | C14 | 110.5° | 109.5° |
| C13 | CA | HA1 | 109.3° | 109.4° |
| CA | C13 | H132 | 109.2° | 109.5° |
| CA | C13 | H131 | 109.2° | 109.5° |
| CA | OB | CG | 120.0° | 117.0° |
| OB | CA | HA1 | 111.4° | 109.5° |
| C13 | C14 | C15 | 109.4° | 109.5° |
| C14 | C13 | H132 | 109.2° | 109.4° |
| C14 | C13 | H131 | 109.2° | 109.4° |
| C13 | C14 | H141 | 109.5° | 109.5° |
| C13 | C14 | H142 | 109.5° | 109.5° |
| C14 | C15 | C16 | 118.4° | 109.5° |
| C15 | C14 | H141 | 109.5° | 109.5° |
| C15 | C14 | H142 | 109.5° | 109.4° |
| C14 | C15 | H152 | 107.2° | 109.5° |
| C14 | C15 | H151 | 107.2° | 109.4° |
| C15 | C16 | O17 | 124.2° | 109.5° |
| C16 | C15 | H152 | 107.2° | 109.5° |
| C16 | C15 | H151 | 107.2° | 109.5° |
| C15 | C16 | H161 | 105.7° | 109.5° |
| C15 | C16 | H162 | 105.7° | 109.5° |
| C16 | O17 | C25 | 117.6° | 117.0° |
| O17 | C16 | H161 | 105.7° | 109.4° |
| O17 | C16 | H162 | 105.7° | 109.5° |
| O17 | C25 | C26 | 117.2° | 120.0° |
| O17 | C25 | C30 | 118.1° | 120.0° |
| C26 | C25 | C30 | 124.8° | 119.9° |
| C25 | C26 | C27 | 116.2° | 119.9° |
| C25 | C26 | H261 | 121.9° | 120.0° |
| C25 | C30 | C29 | 120.0° | 119.9° |
| C25 | C30 | H301 | 120.0° | 120.0° |
| C26 | C27 | C28 | 121.5° | 120.0° |
| C27 | C26 | H261 | 121.9° | 120.0° |
| C26 | C27 | H271 | 119.3° | 120.0° |
| C27 | C28 | CL24 | 118.3° | 120.0° |
| C27 | C28 | C29 | 121.9° | 120.1° |
| C28 | C27 | H271 | 119.2° | 120.0° |
| CL24 | C28 | C29 | 119.7° | 119.9° |
| C28 | C29 | C30 | 115.6° | 120.0° |
| C28 | C29 | H291 | 122.2° | 120.0° |
| C30 | C29 | H291 | 122.2° | 119.9° |
| C29 | C30 | H301 | 120.1° | 120.0° |
| OB | CG | CD2 | 123.5° | 120.1° |
| OB | CG | CD1 | 116.7° | 120.1° |
| CD2 | CG | CD1 | 119.8° | 119.9° |
| CG | CD2 | CE2 | 117.9° | 120.0° |
| CG | CD2 | HD21 | 121.1° | 120.0° |
| CG | CD1 | CE1 | 121.7° | 120.0° |
| CG | CD1 | HD11 | 119.2° | 120.0° |
| CD2 | CE2 | CZ | 122.3° | 120.0° |
| CE2 | CD2 | HD21 | 121.1° | 120.0° |
| CD2 | CE2 | HE21 | 118.9° | 120.0° |
| CE2 | CZ | CH | 123.0° | 119.9° |
| CE2 | CZ | CE1 | 117.9° | 120.1° |
| CZ | CE2 | HE21 | 118.8° | 120.0° |
| CH | CZ | CE1 | 119.1° | 119.9° |
| CZ | CH | HH2 | 109.5° | 109.5° |
| CZ | CH | HH1 | 109.4° | 109.5° |
| CZ | CH | HH3 | 109.5° | 109.5° |
| CZ | CE1 | CD1 | 120.2° | 120.0° |
| CZ | CE1 | HE11 | 119.9° | 120.0° |
| CE1 | CD1 | HD11 | 119.1° | 120.0° |
| CD1 | CE1 | HE11 | 119.9° | 120.0° |
| HH2 | CH | HH1 | 109.5° | 109.5° |
| HH2 | CH | HH3 | 109.5° | 109.4° |
| HH1 | CH | HH3 | 109.5° | 109.4° |
| H132 | C13 | H131 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.4° |
| H152 | C15 | H151 | 109.4° | 109.4° |
| H161 | C16 | H162 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OT2 | C | OT1 | CA | 177.6° | 179.9° |
| OT2 | C | CA | C13 | 95.8° | 115.1° |
| OT2 | C | CA | OB | 143.7° | 4.9° |
| OT2 | C | CA | HA1 | 20.0° | 125.0° |
| OT2 | C | OT1 | H1 | 0.0° | 0.1° |
| OT1 | C | CA | C13 | 86.7° | 65.0° |
| OT1 | C | CA | OB | 33.8° | 175.0° |
| OT1 | C | CA | HA1 | 157.6° | 54.9° |
| C | CA | C13 | OB | 120.6° | 120.0° |
| C | CA | C13 | HA1 | 115.5° | 120.0° |
| C | CA | OB | HA1 | 122.3° | 120.1° |
| C | CA | C13 | C14 | 110.9° | 175.0° |
| C | CA | OB | CG | 74.6° | 84.5° |
| CA | C | OT1 | H1 | 177.6° | 180.0° |
| C | CA | C13 | H132 | 128.9° | 65.0° |
| C | CA | C13 | H131 | 9.3° | 55.0° |
| C13 | CA | OB | HA1 | 122.7° | 120.0° |
| CA | C13 | C14 | H132 | 120.1° | 120.0° |
| CA | C13 | C14 | H131 | 120.2° | 120.0° |
| CA | C13 | C14 | C15 | 78.3° | 180.0° |
| C13 | CA | OB | CG | 170.4° | 155.5° |
| CA | C13 | H132 | H131 | 119.5° | 120.1° |
| CA | C13 | C14 | H141 | 161.7° | 60.0° |
| CA | C13 | C14 | H142 | 41.7° | 60.0° |
| OB | CA | C13 | C14 | 128.5° | 65.0° |
| CA | OB | CG | CD2 | 3.3° | 5.3° |
| CA | OB | CG | CD1 | 177.6° | 174.3° |
| OB | CA | C13 | H132 | 8.3° | 54.9° |
| OB | CA | C13 | H131 | 111.3° | 175.0° |
| C13 | C14 | C15 | H141 | 120.0° | 120.1° |
| C13 | C14 | C15 | H142 | 120.0° | 120.0° |
| C13 | C14 | C15 | C16 | 120.5° | NaN° |
| C14 | C13 | CA | HA1 | 4.6° | 55.0° |
| C14 | C13 | H132 | H131 | 119.6° | 119.9° |
| C13 | C14 | H141 | H142 | 120.0° | 120.0° |
| C13 | C14 | C15 | H152 | 0.7° | 60.0° |
| C13 | C14 | C15 | H151 | 118.2° | 60.0° |
| C14 | C15 | C16 | H152 | 121.3° | 120.1° |
| C14 | C15 | C16 | H151 | 121.3° | 120.0° |
| C14 | C15 | C16 | O17 | 172.2° | 179.9° |
| C15 | C14 | C13 | H132 | 41.8° | 60.0° |
| C15 | C14 | C13 | H131 | 161.5° | 60.0° |
| C15 | C14 | H141 | H142 | 120.1° | 119.9° |
| C14 | C15 | H152 | H151 | 115.9° | 120.0° |
| C14 | C15 | C16 | H161 | 65.8° | 60.0° |
| C14 | C15 | C16 | H162 | 50.2° | 60.0° |
| C15 | C16 | O17 | H161 | 122.0° | 120.0° |
| C15 | C16 | O17 | H162 | 122.0° | 120.0° |
| C15 | C16 | O17 | C25 | 55.9° | 179.9° |
| C16 | C15 | C14 | H141 | 119.5° | 59.9° |
| C16 | C15 | C14 | H142 | 0.6° | 60.0° |
| C16 | C15 | H152 | H151 | 116.0° | 120.0° |
| C15 | C16 | H161 | H162 | 113.4° | 120.0° |
| C16 | O17 | C25 | C26 | 119.7° | 180.0° |
| C16 | O17 | C25 | C30 | 59.6° | 0.4° |
| O17 | C16 | C15 | H152 | 50.9° | 60.0° |
| O17 | C16 | C15 | H151 | 66.5° | 60.0° |
| O17 | C16 | H161 | H162 | 113.4° | 120.0° |
| O17 | C25 | C26 | C30 | 179.2° | 179.6° |
| O17 | C25 | C26 | C27 | 178.5° | 179.9° |
| O17 | C25 | C30 | C29 | 179.9° | 179.8° |
| C25 | O17 | C16 | H161 | 177.8° | 60.1° |
| C25 | O17 | C16 | H162 | 66.1° | 59.9° |
| O17 | C25 | C26 | H261 | 1.5° | 0.1° |
| O17 | C25 | C30 | H301 | 0.1° | 0.1° |
| C25 | C26 | C27 | H261 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 3.3° | 0.0° |
| C26 | C25 | C30 | C29 | 0.7° | 0.5° |
| C25 | C26 | C27 | H271 | 176.7° | 179.9° |
| C26 | C25 | C30 | H301 | 179.3° | 179.7° |
| C30 | C25 | C26 | C27 | 0.7° | 0.3° |
| C25 | C30 | C29 | C28 | 0.5° | 0.5° |
| C25 | C30 | C29 | H301 | 180.0° | 179.7° |
| C30 | C25 | C26 | H261 | 179.3° | 179.8° |
| C25 | C30 | C29 | H291 | 179.5° | 179.8° |
| C26 | C27 | C28 | H271 | 180.0° | 179.9° |
| C26 | C27 | C28 | CL24 | 179.2° | 180.0° |
| C26 | C27 | C28 | C29 | 4.7° | 0.1° |
| C27 | C28 | CL24 | C29 | 176.2° | 179.9° |
| C27 | C28 | C29 | C30 | 3.1° | 0.2° |
| C28 | C27 | C26 | H261 | 176.7° | 179.9° |
| C27 | C28 | C29 | H291 | 176.9° | 179.9° |
| CL24 | C28 | C29 | C30 | 179.1° | 179.8° |
| CL24 | C28 | C27 | H271 | 0.8° | 0.1° |
| CL24 | C28 | C29 | H291 | 0.9° | 0.0° |
| C28 | C29 | C30 | H291 | 180.0° | 179.8° |
| C29 | C28 | C27 | H271 | 175.3° | 180.0° |
| C28 | C29 | C30 | H301 | 179.5° | 179.8° |
| OB | CG | CD2 | CD1 | 179.1° | 179.7° |
| OB | CG | CD2 | CE2 | 175.2° | 179.7° |
| OB | CG | CD1 | CE1 | 177.1° | 179.7° |
| CG | OB | CA | HA1 | 47.7° | 35.5° |
| OB | CG | CD1 | HD11 | 2.9° | 0.3° |
| OB | CG | CD2 | HD21 | 4.8° | 0.3° |
| CG | CD2 | CE2 | HD21 | 180.0° | 180.0° |
| CG | CD2 | CE2 | CZ | 4.6° | 0.0° |
| CD2 | CG | CD1 | CE1 | 3.7° | 0.0° |
| CD2 | CG | CD1 | HD11 | 176.2° | 180.0° |
| CG | CD2 | CE2 | HE21 | 175.4° | 180.0° |
| CD1 | CG | CD2 | CE2 | 5.8° | 0.0° |
| CG | CD1 | CE1 | CZ | 0.2° | 0.0° |
| CG | CD1 | CE1 | HD11 | 180.0° | 180.0° |
| CD1 | CG | CD2 | HD21 | 174.2° | 180.0° |
| CG | CD1 | CE1 | HE11 | 179.8° | 180.0° |
| CD2 | CE2 | CZ | HE21 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | CH | 178.3° | 180.0° |
| CD2 | CE2 | CZ | CE1 | 1.2° | 0.0° |
| CE2 | CZ | CH | CE1 | 179.5° | 180.0° |
| CE2 | CZ | CE1 | CD1 | 1.0° | 0.0° |
| CZ | CE2 | CD2 | HD21 | 175.4° | 180.0° |
| CE2 | CZ | CE1 | HE11 | 178.9° | 180.0° |
| CE2 | CZ | CH | HH2 | 89.7° | 90.0° |
| CE2 | CZ | CH | HH1 | 150.3° | 150.0° |
| CE2 | CZ | CH | HH3 | 30.3° | 30.0° |
| CH | CZ | CE1 | CD1 | 179.4° | 180.0° |
| CH | CZ | CE1 | HE11 | 0.6° | 0.0° |
| CH | CZ | CE2 | HE21 | 1.7° | 0.0° |
| CZ | CH | HH2 | HH1 | 120.0° | 120.0° |
| CZ | CH | HH2 | HH3 | 120.0° | 120.0° |
| CZ | CH | HH1 | HH3 | 120.0° | 120.0° |
| CZ | CE1 | CD1 | HE11 | 180.0° | 180.0° |
| CZ | CE1 | CD1 | HD11 | 179.7° | 180.0° |
| CE1 | CZ | CE2 | HE21 | 178.8° | 180.0° |
| CE1 | CZ | CH | HH2 | 89.8° | 90.0° |
| CE1 | CZ | CH | HH1 | 30.2° | 30.0° |
| CE1 | CZ | CH | HH3 | 150.2° | 150.0° |
| HA1 | CA | C13 | H132 | 115.6° | 175.0° |
| HA1 | CA | C13 | H131 | 124.8° | 65.0° |
| HD11 | CD1 | CE1 | HE11 | 0.2° | 0.0° |
| HD21 | CD2 | CE2 | HE21 | 4.6° | 0.0° |
| HH2 | CH | HH1 | HH3 | 120.0° | 119.9° |
| H132 | C13 | C14 | H141 | 78.2° | 180.0° |
| H132 | C13 | C14 | H142 | 161.8° | 60.0° |
| H131 | C13 | C14 | H141 | 41.5° | 60.0° |
| H131 | C13 | C14 | H142 | 78.5° | 180.0° |
| H141 | C14 | C15 | H152 | 119.2° | 180.0° |
| H141 | C14 | C15 | H151 | 1.8° | 60.1° |
| H142 | C14 | C15 | H152 | 120.7° | 60.1° |
| H142 | C14 | C15 | H151 | 121.9° | 180.0° |
| H152 | C15 | C16 | H161 | 172.9° | 180.0° |
| H152 | C15 | C16 | H162 | 71.1° | 60.0° |
| H151 | C15 | C16 | H161 | 55.5° | 60.0° |
| H151 | C15 | C16 | H162 | 171.5° | 180.0° |
| H261 | C26 | C27 | H271 | 3.3° | 0.0° |
| H291 | C29 | C30 | H301 | 0.5° | 0.0° |
