9RW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C | CA | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.37Å | Aromatic |
| CA | CB | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | CB | sing | 1.38Å | 1.39Å | Aromatic |
| CB | CG | sing | 1.51Å | 1.40Å | |
| C3 | CG | sing | 1.53Å | 1.53Å | |
| CG | CD | sing | 1.51Å | 1.51Å | |
| CD | OE1 | doub | 1.21Å | 1.28Å | |
| CD | OE2 | sing | 1.34Å | 1.25Å | |
| OE2 | H1 | sing | 0.97Å | 0.95Å | |
| CG | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| CA | H6 | sing | 1.08Å | 1.08Å | |
| C | H7 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C7 | C8 | 119.9° | 120.0° |
| C7 | C | CA | 120.4° | 120.0° |
| C7 | C | H7 | 119.8° | 120.0° |
| C | C7 | H8 | 120.1° | 120.0° |
| C7 | C8 | C9 | 118.2° | 120.0° |
| C8 | C7 | H8 | 120.0° | 120.0° |
| C7 | C8 | H9 | 120.9° | 120.0° |
| C | CA | CB | 121.1° | 120.0° |
| C | CA | H6 | 119.4° | 120.0° |
| CA | C | H7 | 119.8° | 120.0° |
| C8 | C9 | CB | 123.8° | 120.0° |
| C9 | C8 | H9 | 120.9° | 120.0° |
| C8 | C9 | H10 | 118.1° | 120.0° |
| CA | CB | C9 | 116.6° | 120.0° |
| CA | CB | CG | 119.2° | 120.0° |
| CB | CA | H6 | 119.4° | 120.0° |
| C9 | CB | CG | 124.2° | 120.0° |
| CB | C9 | H10 | 118.1° | 120.0° |
| CB | CG | C3 | 110.3° | 109.5° |
| CB | CG | CD | 118.9° | 109.5° |
| CB | CG | H2 | 105.5° | 109.5° |
| C3 | CG | CD | 112.2° | 109.5° |
| C3 | CG | H2 | 104.1° | 109.5° |
| CG | C3 | H3 | 109.5° | 109.5° |
| CG | C3 | H4 | 109.5° | 109.5° |
| CG | C3 | H5 | 109.5° | 109.5° |
| CG | CD | OE1 | 118.3° | 120.0° |
| CG | CD | OE2 | 123.1° | 120.0° |
| CD | CG | H2 | 104.3° | 109.4° |
| OE1 | CD | OE2 | 118.6° | 120.0° |
| CD | OE2 | H1 | 109.5° | 117.0° |
| H3 | C3 | H4 | 109.4° | 109.4° |
| H3 | C3 | H5 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C7 | C8 | H8 | 180.0° | 180.0° |
| C7 | C | CA | H7 | 180.0° | 180.0° |
| C | C7 | C8 | C9 | 0.5° | 0.2° |
| C7 | C | CA | CB | 0.9° | 0.0° |
| C7 | C | CA | H6 | 179.1° | 180.0° |
| C | C7 | C8 | H9 | 179.5° | 180.0° |
| C8 | C7 | C | CA | 0.5° | 0.0° |
| C7 | C8 | C9 | H9 | 180.0° | 179.8° |
| C7 | C8 | C9 | CB | 1.1° | 0.4° |
| C8 | C7 | C | H7 | 179.5° | 180.0° |
| C7 | C8 | C9 | H10 | 178.9° | 180.0° |
| C | CA | CB | H6 | 180.0° | 179.9° |
| C | CA | CB | C9 | 0.3° | 0.2° |
| C | CA | CB | CG | 179.5° | 180.0° |
| CA | C | C7 | H8 | 179.5° | 179.9° |
| C8 | C9 | CB | CA | 0.7° | 0.4° |
| C8 | C9 | CB | H10 | 180.0° | 179.6° |
| C8 | C9 | CB | CG | 179.5° | 179.7° |
| C9 | C8 | C7 | H8 | 179.5° | 179.8° |
| CA | CB | C9 | CG | 179.8° | 179.8° |
| CA | CB | CG | C3 | 34.3° | 120.0° |
| CA | CB | CG | CD | 166.0° | 119.9° |
| CA | CB | CG | H2 | 77.5° | 0.0° |
| CB | CA | C | H7 | 179.1° | 180.0° |
| CA | CB | C9 | H10 | 179.3° | 180.0° |
| C9 | CB | CG | C3 | 145.9° | 59.8° |
| C9 | CB | CG | CD | 14.2° | 60.2° |
| C9 | CB | CG | H2 | 102.3° | 179.8° |
| C9 | CB | CA | H6 | 179.7° | 179.7° |
| CB | C9 | C8 | H9 | 178.9° | 179.7° |
| CB | CG | C3 | CD | 135.1° | 120.0° |
| CB | CG | C3 | H2 | 112.8° | 120.0° |
| CB | CG | CD | H2 | 117.1° | 120.0° |
| CB | CG | CD | OE1 | 117.0° | 0.0° |
| CB | CG | CD | OE2 | 63.3° | 179.7° |
| CB | CG | C3 | H3 | 180.0° | 60.0° |
| CB | CG | C3 | H4 | 60.0° | 180.0° |
| CB | CG | C3 | H5 | 60.0° | 60.0° |
| CG | CB | CA | H6 | 0.5° | 0.1° |
| CG | CB | C9 | H10 | 0.5° | 0.2° |
| C3 | CG | CD | H2 | 112.0° | 120.0° |
| C3 | CG | CD | OE1 | 13.9° | 120.0° |
| C3 | CG | CD | OE2 | 165.9° | 59.7° |
| CG | C3 | H3 | H4 | 120.0° | 120.0° |
| CG | C3 | H3 | H5 | 120.0° | 120.0° |
| CG | C3 | H4 | H5 | 120.0° | 120.1° |
| CG | CD | OE1 | OE2 | 179.8° | 179.7° |
| CG | CD | OE2 | H1 | 179.8° | 179.7° |
| CD | CG | C3 | H3 | 44.9° | 179.9° |
| CD | CG | C3 | H4 | 75.1° | 60.0° |
| CD | CG | C3 | H5 | 164.9° | 60.0° |
| OE1 | CD | OE2 | H1 | 0.0° | 0.0° |
| OE1 | CD | CG | H2 | 125.9° | 120.0° |
| OE2 | CD | CG | H2 | 53.8° | 60.3° |
| H2 | CG | C3 | H3 | 67.3° | 60.0° |
| H2 | CG | C3 | H4 | 172.8° | 60.0° |
| H2 | CG | C3 | H5 | 52.8° | 180.0° |
| H3 | C3 | H4 | H5 | 120.0° | 119.9° |
| H6 | CA | C | H7 | 0.9° | 0.0° |
| H7 | C | C7 | H8 | 0.5° | 0.1° |
| H8 | C7 | C8 | H9 | 0.5° | 0.0° |
| H9 | C8 | C9 | H10 | 1.1° | 0.2° |
