9AQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAO | CAN | doub | 1.38Å | 1.39Å | Aromatic |
| CAO | CAP | sing | 1.39Å | 1.39Å | Aromatic |
| CAN | CAM | sing | 1.39Å | 1.39Å | Aromatic |
| CAP | CAQ | doub | 1.37Å | 1.38Å | Aromatic |
| OAS | CAR | doub | 1.22Å | 1.25Å | |
| CAM | CAR | sing | 1.47Å | 1.41Å | |
| CAM | CAL | doub | 1.41Å | 1.39Å | Aromatic |
| CAR | NAT | sing | 1.35Å | 1.39Å | |
| CAQ | CAL | sing | 1.40Å | 1.39Å | Aromatic |
| CAL | NAK | sing | 1.35Å | 1.34Å | |
| NAT | CAJ | sing | 1.37Å | 1.40Å | |
| NAK | CAJ | doub | 1.31Å | 1.34Å | |
| CAJ | CAG | sing | 1.48Å | 1.40Å | |
| CAG | CAH | doub | 1.40Å | 1.39Å | Aromatic |
| CAG | CAF | sing | 1.40Å | 1.38Å | Aromatic |
| CAH | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAD | doub | 1.39Å | 1.38Å | Aromatic |
| CAE | CAD | sing | 1.39Å | 1.38Å | Aromatic |
| CAD | OAC | sing | 1.36Å | 1.37Å | |
| OAC | CAB | sing | 1.43Å | 1.43Å | |
| CAB | CAA | sing | 1.53Å | 1.53Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAI | H6 | sing | 1.08Å | 1.08Å | |
| CAH | H7 | sing | 1.08Å | 1.08Å | |
| CAE | H8 | sing | 1.08Å | 1.08Å | |
| CAF | H9 | sing | 1.08Å | 1.08Å | |
| CAQ | H10 | sing | 1.08Å | 1.08Å | |
| CAP | H11 | sing | 1.08Å | 1.08Å | |
| CAO | H12 | sing | 1.08Å | 1.08Å | |
| CAN | H13 | sing | 1.08Å | 1.08Å | |
| NAT | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAN | CAO | CAP | 119.6° | 120.5° |
| CAO | CAN | CAM | 120.4° | 119.4° |
| CAN | CAO | H12 | 120.2° | 119.7° |
| CAO | CAN | H13 | 119.8° | 120.3° |
| CAO | CAP | CAQ | 120.5° | 121.0° |
| CAO | CAP | H11 | 119.7° | 119.5° |
| CAP | CAO | H12 | 120.2° | 119.8° |
| CAN | CAM | CAR | 121.3° | 121.9° |
| CAN | CAM | CAL | 119.5° | 119.9° |
| CAM | CAN | H13 | 119.8° | 120.3° |
| CAP | CAQ | CAL | 119.7° | 119.8° |
| CAP | CAQ | H10 | 120.1° | 120.1° |
| CAQ | CAP | H11 | 119.7° | 119.5° |
| OAS | CAR | CAM | 124.1° | 121.2° |
| OAS | CAR | NAT | 118.6° | 121.3° |
| CAR | CAM | CAL | 119.2° | 118.2° |
| CAM | CAR | NAT | 117.3° | 117.5° |
| CAM | CAL | CAQ | 120.3° | 119.3° |
| CAM | CAL | NAK | 121.6° | 119.2° |
| CAR | NAT | CAJ | 121.3° | 120.5° |
| CAR | NAT | H14 | 119.4° | 119.8° |
| CAQ | CAL | NAK | 118.1° | 121.5° |
| CAL | CAQ | H10 | 120.1° | 120.1° |
| CAL | NAK | CAJ | 120.9° | 121.6° |
| NAT | CAJ | NAK | 119.7° | 123.0° |
| NAT | CAJ | CAG | 120.4° | 118.5° |
| CAJ | NAT | H14 | 119.4° | 119.7° |
| NAK | CAJ | CAG | 119.8° | 118.5° |
| CAJ | CAG | CAH | 119.6° | 120.1° |
| CAJ | CAG | CAF | 121.0° | 120.0° |
| CAH | CAG | CAF | 119.4° | 119.8° |
| CAG | CAH | CAI | 119.5° | 119.9° |
| CAG | CAH | H7 | 120.3° | 120.0° |
| CAG | CAF | CAE | 120.9° | 119.9° |
| CAG | CAF | H9 | 119.5° | 120.1° |
| CAH | CAI | CAD | 120.9° | 120.1° |
| CAH | CAI | H6 | 119.5° | 120.0° |
| CAI | CAH | H7 | 120.3° | 120.1° |
| CAF | CAE | CAD | 119.4° | 120.1° |
| CAF | CAE | H8 | 120.3° | 119.9° |
| CAE | CAF | H9 | 119.5° | 120.1° |
| CAI | CAD | CAE | 119.9° | 120.2° |
| CAI | CAD | OAC | 118.5° | 119.9° |
| CAD | CAI | H6 | 119.6° | 120.0° |
| CAE | CAD | OAC | 121.7° | 119.9° |
| CAD | CAE | H8 | 120.3° | 119.9° |
| CAD | OAC | CAB | 114.9° | 117.0° |
| OAC | CAB | CAA | 108.1° | 109.5° |
| OAC | CAB | H4 | 109.8° | 109.4° |
| OAC | CAB | H5 | 109.8° | 109.5° |
| CAB | CAA | H1 | 109.5° | 109.5° |
| CAB | CAA | H2 | 109.4° | 109.4° |
| CAB | CAA | H3 | 109.5° | 109.5° |
| CAA | CAB | H4 | 109.8° | 109.4° |
| CAA | CAB | H5 | 109.8° | 109.5° |
| H1 | CAA | H2 | 109.5° | 109.4° |
| H1 | CAA | H3 | 109.4° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAB | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAN | CAO | CAP | H12 | 180.0° | 179.9° |
| CAO | CAN | CAM | H13 | 180.0° | 179.9° |
| CAN | CAO | CAP | CAQ | 0.6° | 0.0° |
| CAO | CAN | CAM | CAR | 179.4° | 180.0° |
| CAO | CAN | CAM | CAL | 1.0° | 0.0° |
| CAN | CAO | CAP | H11 | 179.4° | 179.9° |
| CAP | CAO | CAN | CAM | 1.0° | 0.0° |
| CAO | CAP | CAQ | H11 | 180.0° | 179.9° |
| CAO | CAP | CAQ | CAL | 0.2° | 0.0° |
| CAO | CAP | CAQ | H10 | 179.8° | 179.9° |
| CAP | CAO | CAN | H13 | 179.0° | 179.9° |
| CAN | CAM | CAR | OAS | 0.4° | 0.0° |
| CAN | CAM | CAR | CAL | 178.4° | 180.0° |
| CAN | CAM | CAR | NAT | 179.2° | 179.8° |
| CAN | CAM | CAL | CAQ | 0.6° | 0.0° |
| CAN | CAM | CAL | NAK | 179.1° | 180.0° |
| CAM | CAN | CAO | H12 | 179.0° | 179.9° |
| CAP | CAQ | CAL | CAM | 0.2° | 0.0° |
| CAP | CAQ | CAL | H10 | 180.0° | 179.9° |
| CAP | CAQ | CAL | NAK | 178.8° | 180.0° |
| CAQ | CAP | CAO | H12 | 179.4° | 179.9° |
| OAS | CAR | CAM | NAT | 178.9° | 179.7° |
| OAS | CAR | CAM | CAL | 178.8° | 180.0° |
| OAS | CAR | NAT | CAJ | 179.2° | 179.8° |
| OAS | CAR | NAT | H14 | 0.8° | 0.2° |
| CAR | CAM | CAL | CAQ | 179.0° | 180.0° |
| CAR | CAM | CAL | NAK | 2.4° | 0.0° |
| CAM | CAR | NAT | CAJ | 1.9° | 0.5° |
| CAR | CAM | CAN | H13 | 0.6° | 0.0° |
| CAM | CAR | NAT | H14 | 178.1° | 180.0° |
| CAL | CAM | CAR | NAT | 2.3° | 0.3° |
| CAM | CAL | CAQ | NAK | 178.6° | 180.0° |
| CAM | CAL | NAK | CAJ | 1.9° | 0.0° |
| CAM | CAL | CAQ | H10 | 179.8° | 179.9° |
| CAL | CAM | CAN | H13 | 179.0° | 179.9° |
| CAR | NAT | CAJ | H14 | 180.0° | 179.5° |
| CAR | NAT | CAJ | NAK | 1.4° | 0.5° |
| CAR | NAT | CAJ | CAG | 178.7° | 179.7° |
| CAQ | CAL | NAK | CAJ | 179.5° | 180.0° |
| CAL | CAQ | CAP | H11 | 179.8° | 179.9° |
| CAL | NAK | CAJ | NAT | 1.4° | 0.2° |
| CAL | NAK | CAJ | CAG | 178.7° | 180.0° |
| NAK | CAL | CAQ | H10 | 1.2° | 0.0° |
| NAT | CAJ | NAK | CAG | 177.3° | 179.8° |
| NAT | CAJ | CAG | CAH | 18.8° | 179.8° |
| NAT | CAJ | CAG | CAF | 164.1° | 0.0° |
| NAK | CAJ | CAG | CAH | 158.5° | 0.0° |
| NAK | CAJ | CAG | CAF | 18.6° | 179.7° |
| NAK | CAJ | NAT | H14 | 178.6° | 180.0° |
| CAJ | CAG | CAH | CAF | 177.2° | 179.7° |
| CAJ | CAG | CAH | CAI | 178.7° | 180.0° |
| CAJ | CAG | CAF | CAE | 179.2° | 180.0° |
| CAJ | CAG | CAH | H7 | 1.3° | 0.0° |
| CAJ | CAG | CAF | H9 | 0.8° | 0.0° |
| CAG | CAJ | NAT | H14 | 1.3° | 0.2° |
| CAG | CAH | CAI | H7 | 180.0° | 180.0° |
| CAH | CAG | CAF | CAE | 2.1° | 0.3° |
| CAG | CAH | CAI | CAD | 0.5° | 0.0° |
| CAG | CAH | CAI | H6 | 179.4° | 180.0° |
| CAH | CAG | CAF | H9 | 177.9° | 179.8° |
| CAF | CAG | CAH | CAI | 1.6° | 0.3° |
| CAG | CAF | CAE | H9 | 180.0° | 179.9° |
| CAG | CAF | CAE | CAD | 1.5° | 0.1° |
| CAF | CAG | CAH | H7 | 178.4° | 179.7° |
| CAG | CAF | CAE | H8 | 178.5° | 180.0° |
| CAH | CAI | CAD | H6 | 180.0° | 180.0° |
| CAH | CAI | CAD | CAE | 0.0° | 0.2° |
| CAH | CAI | CAD | OAC | 179.7° | 180.0° |
| CAF | CAE | CAD | CAI | 0.5° | 0.2° |
| CAF | CAE | CAD | H8 | 180.0° | 179.9° |
| CAF | CAE | CAD | OAC | 179.8° | 180.0° |
| CAI | CAD | CAE | OAC | 179.8° | 179.8° |
| CAI | CAD | OAC | CAB | 177.1° | 180.0° |
| CAD | CAI | CAH | H7 | 179.5° | 180.0° |
| CAI | CAD | CAE | H8 | 179.5° | 179.8° |
| CAE | CAD | OAC | CAB | 3.1° | 0.3° |
| CAE | CAD | CAI | H6 | 180.0° | 179.8° |
| CAD | CAE | CAF | H9 | 178.5° | 180.0° |
| CAD | OAC | CAB | CAA | 169.0° | 180.0° |
| CAD | OAC | CAB | H4 | 71.2° | 60.0° |
| CAD | OAC | CAB | H5 | 49.2° | 60.0° |
| OAC | CAD | CAI | H6 | 0.2° | 0.0° |
| OAC | CAD | CAE | H8 | 0.2° | 0.0° |
| OAC | CAB | CAA | H4 | 119.8° | 119.9° |
| OAC | CAB | CAA | H5 | 119.8° | 120.0° |
| OAC | CAB | CAA | H1 | 180.0° | 59.9° |
| OAC | CAB | CAA | H2 | 60.0° | 60.0° |
| OAC | CAB | CAA | H3 | 60.0° | 180.0° |
| OAC | CAB | H4 | H5 | 120.6° | 120.0° |
| CAB | CAA | H1 | H2 | 120.0° | 120.0° |
| CAB | CAA | H1 | H3 | 120.0° | 120.1° |
| CAB | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAB | H4 | H5 | 120.7° | 120.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAB | H4 | 60.2° | 60.0° |
| H1 | CAA | CAB | H5 | 60.2° | 180.0° |
| H2 | CAA | CAB | H4 | 179.8° | 180.0° |
| H2 | CAA | CAB | H5 | 59.8° | 60.0° |
| H3 | CAA | CAB | H4 | 59.8° | 60.1° |
| H3 | CAA | CAB | H5 | 179.8° | 60.0° |
| H6 | CAI | CAH | H7 | 0.6° | 0.0° |
| H8 | CAE | CAF | H9 | 1.5° | 0.0° |
| H10 | CAQ | CAP | H11 | 0.2° | 0.0° |
| H11 | CAP | CAO | H12 | 0.6° | 0.0° |
| H12 | CAO | CAN | H13 | 1.0° | 0.0° |
