9VU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAN | CAH | doub | 1.21Å | 1.25Å | |
| CAH | NAG | sing | 1.34Å | 1.34Å | |
| CAH | CAI | sing | 1.51Å | 1.42Å | |
| NAG | CAC | sing | 1.40Å | 1.36Å | |
| CAC | CAB | sing | 1.39Å | 1.34Å | Aromatic |
| CAC | CAD | doub | 1.39Å | 1.36Å | Aromatic |
| CAB | CAA | doub | 1.38Å | 1.40Å | Aromatic |
| CAA | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAF | CAJ | sing | 1.51Å | 1.44Å | |
| CAF | CAE | doub | 1.39Å | 1.41Å | Aromatic |
| CAE | BRA | sing | 1.89Å | 1.90Å | |
| CAE | CAD | sing | 1.38Å | 1.36Å | Aromatic |
| CAD | CAI | sing | 1.51Å | 1.44Å | |
| CAI | OAL | sing | 1.43Å | 1.43Å | |
| CAI | CAM | sing | 1.53Å | 1.55Å | |
| CAM | CAO | sing | 1.51Å | 1.54Å | |
| CAO | OAP | doub | 1.21Å | 1.24Å | |
| CAO | CAQ | sing | 1.47Å | 1.43Å | |
| CAQ | CAV | sing | 1.40Å | 1.40Å | Aromatic |
| CAQ | CAR | doub | 1.40Å | 1.40Å | Aromatic |
| CAV | CAU | doub | 1.38Å | 1.34Å | Aromatic |
| CAU | OAY | sing | 1.37Å | 1.37Å | |
| CAU | CAT | sing | 1.40Å | 1.33Å | Aromatic |
| OAY | CAX | sing | 1.44Å | 1.45Å | |
| CAX | OAW | sing | 1.44Å | 1.43Å | |
| OAW | CAT | sing | 1.36Å | 1.37Å | |
| CAT | CAS | doub | 1.39Å | 1.34Å | Aromatic |
| CAS | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| NAG | HAG | sing | 0.97Å | 1.00Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ1 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ2 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ3 | sing | 1.09Å | 1.10Å | |
| OAL | HAL | sing | 0.97Å | 0.95Å | |
| CAM | HAM1 | sing | 1.09Å | 1.10Å | |
| CAM | HAM2 | sing | 1.09Å | 1.10Å | |
| CAV | HAV | sing | 1.08Å | 1.08Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAX | HAX1 | sing | 1.09Å | 1.10Å | |
| CAX | HAX2 | sing | 1.09Å | 1.10Å | |
| CAS | HAS | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAN | CAH | NAG | 123.9° | 126.4° |
| OAN | CAH | CAI | 126.6° | 126.4° |
| NAG | CAH | CAI | 109.4° | 107.1° |
| CAH | NAG | CAC | 108.8° | 112.3° |
| CAH | NAG | HAG | 125.6° | 123.9° |
| CAH | CAI | CAD | 104.8° | 104.1° |
| CAH | CAI | OAL | 106.0° | 110.5° |
| CAH | CAI | CAM | 115.4° | 110.5° |
| NAG | CAC | CAB | 128.7° | 130.9° |
| NAG | CAC | CAD | 110.5° | 110.2° |
| CAC | NAG | HAG | 125.6° | 123.8° |
| CAB | CAC | CAD | 120.8° | 118.9° |
| CAC | CAB | CAA | 122.8° | 120.1° |
| CAC | CAB | HAB | 118.6° | 119.9° |
| CAC | CAD | CAE | 118.8° | 120.8° |
| CAC | CAD | CAI | 106.5° | 106.3° |
| CAB | CAA | CAF | 117.6° | 120.4° |
| CAA | CAB | HAB | 118.6° | 120.0° |
| CAB | CAA | HAA | 121.2° | 119.7° |
| CAA | CAF | CAJ | 119.7° | 120.1° |
| CAA | CAF | CAE | 117.5° | 119.8° |
| CAF | CAA | HAA | 121.2° | 119.8° |
| CAJ | CAF | CAE | 122.8° | 120.1° |
| CAF | CAJ | HAJ1 | 109.5° | 109.5° |
| CAF | CAJ | HAJ2 | 109.5° | 109.5° |
| CAF | CAJ | HAJ3 | 109.5° | 109.4° |
| CAF | CAE | BRA | 116.2° | 120.1° |
| CAF | CAE | CAD | 122.6° | 119.9° |
| BRA | CAE | CAD | 121.2° | 120.1° |
| CAE | CAD | CAI | 134.7° | 132.9° |
| CAD | CAI | OAL | 109.9° | 110.4° |
| CAD | CAI | CAM | 115.9° | 110.6° |
| OAL | CAI | CAM | 104.5° | 110.5° |
| CAI | OAL | HAL | 109.5° | 114.0° |
| CAI | CAM | CAO | 113.7° | 109.5° |
| CAI | CAM | HAM1 | 108.4° | 109.5° |
| CAI | CAM | HAM2 | 108.4° | 109.5° |
| CAM | CAO | OAP | 117.9° | 120.0° |
| CAM | CAO | CAQ | 118.1° | 120.0° |
| CAO | CAM | HAM1 | 108.4° | 109.5° |
| CAO | CAM | HAM2 | 108.4° | 109.4° |
| OAP | CAO | CAQ | 123.9° | 120.0° |
| CAO | CAQ | CAV | 122.8° | 120.1° |
| CAO | CAQ | CAR | 121.2° | 120.1° |
| CAV | CAQ | CAR | 116.0° | 119.8° |
| CAQ | CAV | CAU | 121.7° | 119.9° |
| CAQ | CAV | HAV | 119.1° | 120.0° |
| CAQ | CAR | CAS | 120.1° | 120.0° |
| CAQ | CAR | HAR | 120.0° | 120.0° |
| CAV | CAU | OAY | 128.7° | 131.4° |
| CAV | CAU | CAT | 121.5° | 120.0° |
| CAU | CAV | HAV | 119.1° | 120.1° |
| OAY | CAU | CAT | 109.7° | 108.6° |
| CAU | OAY | CAX | 103.7° | 105.4° |
| CAU | CAT | OAW | 110.1° | 108.6° |
| CAU | CAT | CAS | 120.3° | 120.0° |
| OAY | CAX | OAW | 103.3° | 103.8° |
| OAY | CAX | HAX1 | 111.0° | 110.5° |
| OAY | CAX | HAX2 | 111.0° | 110.6° |
| CAX | OAW | CAT | 104.1° | 105.5° |
| OAW | CAX | HAX1 | 111.0° | 110.6° |
| OAW | CAX | HAX2 | 111.0° | 110.5° |
| OAW | CAT | CAS | 129.6° | 131.4° |
| CAT | CAS | CAR | 120.4° | 120.3° |
| CAT | CAS | HAS | 119.8° | 119.8° |
| CAS | CAR | HAR | 120.0° | 120.0° |
| CAR | CAS | HAS | 119.8° | 119.9° |
| HAJ1 | CAJ | HAJ2 | 109.4° | 109.5° |
| HAJ1 | CAJ | HAJ3 | 109.5° | 109.5° |
| HAJ2 | CAJ | HAJ3 | 109.5° | 109.4° |
| HAM1 | CAM | HAM2 | 109.4° | 109.4° |
| HAX1 | CAX | HAX2 | 109.4° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAN | CAH | NAG | CAI | 177.8° | 179.7° |
| OAN | CAH | NAG | CAC | 178.4° | 179.9° |
| OAN | CAH | CAI | CAD | 178.1° | 179.9° |
| OAN | CAH | CAI | OAL | 61.9° | 61.4° |
| OAN | CAH | CAI | CAM | 53.2° | 61.3° |
| OAN | CAH | NAG | HAG | 1.6° | 0.1° |
| CAH | NAG | CAC | HAG | 180.0° | 179.9° |
| CAH | NAG | CAC | CAB | 178.8° | 180.0° |
| CAH | NAG | CAC | CAD | 0.6° | 0.0° |
| NAG | CAH | CAI | CAD | 0.4° | 0.4° |
| NAG | CAH | CAI | OAL | 115.8° | 118.9° |
| NAG | CAH | CAI | CAM | 129.1° | 118.4° |
| CAI | CAH | NAG | CAC | 0.6° | 0.3° |
| CAH | CAI | CAD | CAC | 0.1° | 0.4° |
| CAH | CAI | CAD | CAE | 178.3° | 179.9° |
| CAH | CAI | CAD | OAL | 113.5° | 118.6° |
| CAH | CAI | CAD | CAM | 128.5° | 118.7° |
| CAH | CAI | OAL | CAM | 122.4° | 122.7° |
| CAH | CAI | CAM | CAO | 55.6° | 61.4° |
| CAI | CAH | NAG | HAG | 179.4° | 179.8° |
| CAH | CAI | OAL | HAL | 21.8° | 61.4° |
| CAH | CAI | CAM | HAM1 | 65.0° | 178.5° |
| CAH | CAI | CAM | HAM2 | 176.2° | 58.6° |
| NAG | CAC | CAB | CAD | 178.0° | 179.9° |
| NAG | CAC | CAB | CAA | 178.4° | 179.9° |
| NAG | CAC | CAD | CAE | 178.3° | 179.9° |
| NAG | CAC | CAD | CAI | 0.3° | 0.2° |
| NAG | CAC | CAB | HAB | 1.5° | 0.1° |
| CAC | CAB | CAA | HAB | 180.0° | 180.0° |
| CAC | CAB | CAA | CAF | 0.8° | 0.0° |
| CAB | CAC | CAD | CAE | 0.1° | 0.0° |
| CAB | CAC | CAD | CAI | 178.7° | 179.7° |
| CAB | CAC | NAG | HAG | 1.2° | 0.1° |
| CAC | CAB | CAA | HAA | 179.2° | 179.9° |
| CAD | CAC | CAB | CAA | 0.4° | 0.0° |
| CAC | CAD | CAE | CAF | 0.2° | 0.0° |
| CAC | CAD | CAE | BRA | 178.0° | 179.9° |
| CAC | CAD | CAE | CAI | 178.1° | 179.6° |
| CAC | CAD | CAI | OAL | 113.4° | 119.0° |
| CAC | CAD | CAI | CAM | 128.5° | 118.3° |
| CAD | CAC | NAG | HAG | 179.4° | 180.0° |
| CAD | CAC | CAB | HAB | 179.6° | 180.0° |
| CAB | CAA | CAF | HAA | 180.0° | 179.9° |
| CAB | CAA | CAF | CAJ | 179.8° | 180.0° |
| CAB | CAA | CAF | CAE | 0.7° | 0.0° |
| CAA | CAF | CAJ | CAE | 179.5° | 179.9° |
| CAA | CAF | CAE | BRA | 177.7° | 180.0° |
| CAA | CAF | CAE | CAD | 0.2° | 0.1° |
| CAF | CAA | CAB | HAB | 179.2° | 180.0° |
| CAA | CAF | CAJ | HAJ1 | 89.8° | 90.0° |
| CAA | CAF | CAJ | HAJ2 | 150.2° | 150.0° |
| CAA | CAF | CAJ | HAJ3 | 30.2° | 30.0° |
| CAJ | CAF | CAE | BRA | 1.8° | 0.1° |
| CAJ | CAF | CAE | CAD | 179.8° | 180.0° |
| CAJ | CAF | CAA | HAA | 0.2° | 0.1° |
| CAF | CAJ | HAJ1 | HAJ2 | 120.0° | 120.1° |
| CAF | CAJ | HAJ1 | HAJ3 | 120.0° | 120.0° |
| CAF | CAJ | HAJ2 | HAJ3 | 120.0° | 120.0° |
| CAF | CAE | BRA | CAD | 178.0° | 179.9° |
| CAF | CAE | CAD | CAI | 178.2° | 179.7° |
| CAE | CAF | CAA | HAA | 179.3° | 180.0° |
| CAE | CAF | CAJ | HAJ1 | 89.7° | 90.0° |
| CAE | CAF | CAJ | HAJ2 | 30.3° | 30.1° |
| CAE | CAF | CAJ | HAJ3 | 150.3° | 150.0° |
| BRA | CAE | CAD | CAI | 3.9° | 0.4° |
| CAE | CAD | CAI | OAL | 64.8° | 61.4° |
| CAE | CAD | CAI | CAM | 53.2° | 61.3° |
| CAD | CAI | OAL | CAM | 124.9° | 122.7° |
| CAD | CAI | CAM | CAO | 67.5° | 176.1° |
| CAD | CAI | OAL | HAL | 134.5° | 176.0° |
| CAD | CAI | CAM | HAM1 | 171.9° | 63.8° |
| CAD | CAI | CAM | HAM2 | 53.2° | 56.2° |
| OAL | CAI | CAM | CAO | 171.5° | 61.3° |
| OAL | CAI | CAM | HAM1 | 50.9° | 58.8° |
| OAL | CAI | CAM | HAM2 | 67.8° | 178.8° |
| CAI | CAM | CAO | HAM1 | 120.6° | 120.1° |
| CAI | CAM | CAO | HAM2 | 120.7° | 120.0° |
| CAI | CAM | CAO | OAP | 9.3° | 0.1° |
| CAI | CAM | CAO | CAQ | 173.1° | 180.0° |
| CAM | CAI | OAL | HAL | 100.6° | 61.3° |
| CAI | CAM | HAM1 | HAM2 | 118.1° | 120.0° |
| CAM | CAO | OAP | CAQ | 177.4° | 179.9° |
| CAM | CAO | CAQ | CAV | 15.4° | 179.9° |
| CAM | CAO | CAQ | CAR | 166.1° | 0.2° |
| CAO | CAM | HAM1 | HAM2 | 118.1° | 119.9° |
| OAP | CAO | CAQ | CAV | 167.2° | 0.0° |
| OAP | CAO | CAQ | CAR | 11.3° | 179.7° |
| OAP | CAO | CAM | HAM1 | 111.3° | 120.0° |
| OAP | CAO | CAM | HAM2 | 130.0° | 120.1° |
| CAO | CAQ | CAV | CAR | 178.6° | 179.7° |
| CAO | CAQ | CAV | CAU | 179.4° | 180.0° |
| CAO | CAQ | CAR | CAS | 179.6° | 179.8° |
| CAQ | CAO | CAM | HAM1 | 66.2° | 59.9° |
| CAQ | CAO | CAM | HAM2 | 52.5° | 60.0° |
| CAO | CAQ | CAV | HAV | 0.6° | 0.0° |
| CAO | CAQ | CAR | HAR | 0.4° | 0.1° |
| CAQ | CAV | CAU | HAV | 180.0° | 180.0° |
| CAQ | CAV | CAU | OAY | 179.3° | 180.0° |
| CAQ | CAV | CAU | CAT | 1.4° | 0.1° |
| CAV | CAQ | CAR | CAS | 1.8° | 0.5° |
| CAV | CAQ | CAR | HAR | 178.2° | 179.7° |
| CAR | CAQ | CAV | CAU | 2.0° | 0.3° |
| CAQ | CAR | CAS | CAT | 1.1° | 0.5° |
| CAQ | CAR | CAS | HAR | 180.0° | 179.8° |
| CAR | CAQ | CAV | HAV | 178.0° | 179.7° |
| CAQ | CAR | CAS | HAS | 178.9° | 179.7° |
| CAV | CAU | OAY | CAT | 178.1° | 180.0° |
| CAV | CAU | OAY | CAX | 163.1° | 162.7° |
| CAV | CAU | CAT | OAW | 179.0° | 180.0° |
| CAV | CAU | CAT | CAS | 0.6° | 0.0° |
| CAU | OAY | CAX | OAW | 28.8° | 27.2° |
| OAY | CAU | CAT | OAW | 0.8° | 0.0° |
| OAY | CAU | CAT | CAS | 178.8° | 180.0° |
| OAY | CAU | CAV | HAV | 0.7° | 0.0° |
| CAU | OAY | CAX | HAX1 | 90.2° | 91.3° |
| CAU | OAY | CAX | HAX2 | 147.8° | 145.8° |
| CAT | CAU | OAY | CAX | 18.8° | 17.3° |
| CAU | CAT | OAW | CAX | 17.9° | 17.3° |
| CAU | CAT | OAW | CAS | 179.6° | 180.0° |
| CAU | CAT | CAS | CAR | 0.4° | 0.2° |
| CAT | CAU | CAV | HAV | 178.6° | 180.0° |
| CAU | CAT | CAS | HAS | 179.6° | 180.0° |
| OAY | CAX | OAW | HAX1 | 119.0° | 118.6° |
| OAY | CAX | OAW | HAX2 | 119.0° | 118.6° |
| OAY | CAX | OAW | CAT | 28.3° | 27.3° |
| OAY | CAX | HAX1 | HAX2 | 122.8° | 122.8° |
| CAX | OAW | CAT | CAS | 162.5° | 162.6° |
| OAW | CAX | HAX1 | HAX2 | 122.8° | 122.8° |
| OAW | CAT | CAS | CAR | 179.1° | 179.8° |
| CAT | OAW | CAX | HAX1 | 90.7° | 91.3° |
| CAT | OAW | CAX | HAX2 | 147.3° | 145.9° |
| OAW | CAT | CAS | HAS | 0.9° | 0.0° |
| CAT | CAS | CAR | HAS | 180.0° | 179.8° |
| CAT | CAS | CAR | HAR | 178.9° | 179.7° |
| HAB | CAB | CAA | HAA | 0.8° | 0.0° |
| HAJ1 | CAJ | HAJ2 | HAJ3 | 120.0° | 120.0° |
| HAR | CAR | CAS | HAS | 1.1° | 0.1° |
