CG3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OBH | NBG | sing | 1.22Å | 1.42Å | |
| NBG | OBI | doub | 1.22Å | 1.37Å | |
| NBG | CBB | sing | 1.34Å | 1.35Å | |
| CBB | CBA | doub | 1.41Å | 1.41Å | Aromatic |
| CBB | CAW | sing | 1.41Å | 1.41Å | Aromatic |
| CBA | CAZ | sing | 1.36Å | 1.38Å | Aromatic |
| CAZ | CAY | doub | 1.39Å | 1.38Å | Aromatic |
| CAY | CAX | sing | 1.38Å | 1.41Å | Aromatic |
| CAX | CAW | doub | 1.39Å | 1.40Å | Aromatic |
| CAW | OAO | sing | 1.35Å | 1.41Å | |
| CBA | HBA | sing | 1.08Å | 1.08Å | |
| CAZ | HAZ | sing | 1.08Å | 1.08Å | |
| CAY | HAY | sing | 1.08Å | 1.08Å | |
| CAX | HAX | sing | 1.08Å | 1.08Å | |
| OAO | HAO | sing | 0.97Å | 0.95Å | |
| OBH | HBO | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OBH | NBG | OBI | 114.9° | 120.0° |
| OBH | NBG | CBB | 120.8° | 120.0° |
| NBG | OBH | HBO | 109.5° | 117.0° |
| OBI | NBG | CBB | 122.7° | 120.0° |
| NBG | CBB | CBA | 117.8° | 120.3° |
| NBG | CBB | CAW | 121.6° | 120.3° |
| CBA | CBB | CAW | 120.4° | 119.4° |
| CBB | CBA | CAZ | 114.1° | 119.9° |
| CBB | CBA | HBA | 123.0° | 120.0° |
| CBB | CAW | CAX | 122.7° | 119.4° |
| CBB | CAW | OAO | 118.3° | 120.3° |
| CBA | CAZ | CAY | 127.8° | 120.6° |
| CAZ | CBA | HBA | 123.0° | 120.1° |
| CBA | CAZ | HAZ | 116.1° | 119.7° |
| CAZ | CAY | CAX | 117.5° | 120.6° |
| CAY | CAZ | HAZ | 116.1° | 119.7° |
| CAZ | CAY | HAY | 121.3° | 119.7° |
| CAY | CAX | CAW | 117.2° | 120.1° |
| CAX | CAY | HAY | 121.3° | 119.7° |
| CAY | CAX | HAX | 121.4° | 120.0° |
| CAX | CAW | OAO | 118.8° | 120.3° |
| CAW | CAX | HAX | 121.4° | 119.9° |
| CAW | OAO | HAO | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OBH | NBG | OBI | CBB | 165.4° | 179.7° |
| OBH | NBG | CBB | CBA | 125.0° | 0.3° |
| OBH | NBG | CBB | CAW | 50.5° | 179.5° |
| OBI | NBG | CBB | CBA | 39.5° | 180.0° |
| OBI | NBG | CBB | CAW | 144.9° | 0.2° |
| OBI | NBG | OBH | HBO | 27.5° | 0.0° |
| NBG | CBB | CBA | CAW | 175.6° | 179.8° |
| NBG | CBB | CBA | CAZ | 179.1° | 179.7° |
| NBG | CBB | CAW | CAX | 179.8° | 180.0° |
| NBG | CBB | CAW | OAO | 5.1° | 0.0° |
| NBG | CBB | CBA | HBA | 0.9° | 0.0° |
| CBB | NBG | OBH | HBO | 138.2° | 179.7° |
| CBB | CBA | CAZ | HBA | 180.0° | 179.7° |
| CBB | CBA | CAZ | CAY | 5.5° | 0.6° |
| CBA | CBB | CAW | CAX | 4.8° | 0.2° |
| CBA | CBB | CAW | OAO | 179.5° | 179.7° |
| CBB | CBA | CAZ | HAZ | 174.5° | 179.6° |
| CAW | CBB | CBA | CAZ | 5.4° | 0.6° |
| CBB | CAW | CAX | CAY | 3.4° | 0.0° |
| CBB | CAW | CAX | OAO | 174.7° | 180.0° |
| CAW | CBB | CBA | HBA | 174.6° | 179.7° |
| CBB | CAW | CAX | HAX | 176.6° | 180.0° |
| CBB | CAW | OAO | HAO | 66.0° | 90.0° |
| CBA | CAZ | CAY | HAZ | 180.0° | 179.8° |
| CBA | CAZ | CAY | CAX | 4.5° | 0.3° |
| CBA | CAZ | CAY | HAY | 175.5° | 179.7° |
| CAZ | CAY | CAX | HAY | 180.0° | 180.0° |
| CAZ | CAY | CAX | CAW | 2.9° | 0.0° |
| CAY | CAZ | CBA | HBA | 174.4° | 179.7° |
| CAZ | CAY | CAX | HAX | 177.1° | 180.0° |
| CAY | CAX | CAW | HAX | 180.0° | 180.0° |
| CAY | CAX | CAW | OAO | 178.1° | 180.0° |
| CAX | CAY | CAZ | HAZ | 175.5° | 179.9° |
| CAW | CAX | CAY | HAY | 177.0° | 180.0° |
| CAX | CAW | OAO | HAO | 109.0° | 90.0° |
| OAO | CAW | CAX | HAX | 1.9° | 0.0° |
| HBA | CBA | CAZ | HAZ | 5.6° | 0.1° |
| HAZ | CAZ | CAY | HAY | 4.5° | 0.1° |
| HAY | CAY | CAX | HAX | 3.0° | 0.0° |
