BQB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAP | CAL | sing | 1.36Å | 1.49Å | |
| OAS | CAQ | doub | 1.22Å | 1.26Å | |
| CAQ | OAR | sing | 1.35Å | 1.35Å | |
| CAQ | CAM | sing | 1.48Å | 1.54Å | |
| IAO | CAK | sing | 2.10Å | 2.07Å | |
| CAL | CAM | doub | 1.40Å | 1.36Å | Aromatic |
| CAL | CAK | sing | 1.39Å | 1.37Å | Aromatic |
| CAM | CAN | sing | 1.39Å | 1.43Å | Aromatic |
| CAK | CAJ | doub | 1.38Å | 1.41Å | Aromatic |
| CAN | CAI | doub | 1.39Å | 1.37Å | Aromatic |
| CAJ | CAI | sing | 1.40Å | 1.36Å | Aromatic |
| CAI | NAH | sing | 1.37Å | 1.40Å | |
| NAH | NAG | doub | 1.29Å | 1.46Å | |
| NAG | CAF | sing | 1.37Å | 1.40Å | |
| CAF | CAE | doub | 1.40Å | 1.42Å | Aromatic |
| CAF | CAA | sing | 1.40Å | 1.46Å | Aromatic |
| CAE | CAD | sing | 1.38Å | 1.38Å | Aromatic |
| CAA | CAB | doub | 1.38Å | 1.37Å | Aromatic |
| CAD | CAC | doub | 1.38Å | 1.43Å | Aromatic |
| CAB | CAC | sing | 1.38Å | 1.45Å | Aromatic |
| CAC | NAT | sing | 1.48Å | 1.48Å | |
| NAT | OAU | doub | 1.22Å | 1.42Å | |
| NAT | OAV | sing | 1.22Å | 1.39Å | |
| CAA | H1 | sing | 1.08Å | 1.08Å | |
| CAB | H2 | sing | 1.08Å | 1.08Å | |
| CAD | H3 | sing | 1.08Å | 1.08Å | |
| CAE | H4 | sing | 1.08Å | 1.08Å | |
| CAJ | H5 | sing | 1.08Å | 1.08Å | |
| CAN | H6 | sing | 1.08Å | 1.08Å | |
| OAP | H9 | sing | 0.97Å | 0.95Å | |
| OAR | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAP | CAL | CAM | 120.6° | 120.0° |
| OAP | CAL | CAK | 119.7° | 120.0° |
| CAL | OAP | H9 | 109.5° | 114.0° |
| OAS | CAQ | OAR | 120.0° | 120.0° |
| OAS | CAQ | CAM | 120.1° | 120.0° |
| OAR | CAQ | CAM | 119.9° | 120.0° |
| CAQ | OAR | H10 | 109.5° | 117.0° |
| CAQ | CAM | CAL | 120.0° | 120.1° |
| CAQ | CAM | CAN | 119.9° | 120.1° |
| IAO | CAK | CAL | 120.7° | 119.9° |
| IAO | CAK | CAJ | 119.0° | 119.8° |
| CAM | CAL | CAK | 119.7° | 120.0° |
| CAL | CAM | CAN | 120.0° | 119.8° |
| CAL | CAK | CAJ | 120.3° | 120.3° |
| CAM | CAN | CAI | 119.7° | 119.7° |
| CAM | CAN | H6 | 120.1° | 120.2° |
| CAK | CAJ | CAI | 120.1° | 120.2° |
| CAK | CAJ | H5 | 119.9° | 119.9° |
| CAN | CAI | CAJ | 120.1° | 120.0° |
| CAN | CAI | NAH | 122.0° | 120.0° |
| CAI | CAN | H6 | 120.2° | 120.1° |
| CAJ | CAI | NAH | 117.9° | 120.0° |
| CAI | CAJ | H5 | 119.9° | 119.9° |
| CAI | NAH | NAG | 123.8° | 120.0° |
| NAH | NAG | CAF | 114.2° | 120.0° |
| NAG | CAF | CAE | 116.8° | 120.2° |
| NAG | CAF | CAA | 122.4° | 120.1° |
| CAE | CAF | CAA | 120.8° | 119.7° |
| CAF | CAE | CAD | 120.2° | 119.8° |
| CAF | CAE | H4 | 119.9° | 120.1° |
| CAF | CAA | CAB | 119.0° | 119.8° |
| CAF | CAA | H1 | 120.5° | 120.1° |
| CAE | CAD | CAC | 119.7° | 120.2° |
| CAE | CAD | H3 | 120.1° | 119.9° |
| CAD | CAE | H4 | 119.9° | 120.1° |
| CAA | CAB | CAC | 119.8° | 120.1° |
| CAB | CAA | H1 | 120.5° | 120.0° |
| CAA | CAB | H2 | 120.1° | 120.0° |
| CAD | CAC | CAB | 120.5° | 120.3° |
| CAD | CAC | NAT | 118.2° | 119.8° |
| CAC | CAD | H3 | 120.1° | 119.9° |
| CAB | CAC | NAT | 121.3° | 119.8° |
| CAC | CAB | H2 | 120.1° | 119.9° |
| CAC | NAT | OAU | 118.5° | 120.0° |
| CAC | NAT | OAV | 120.5° | 120.0° |
| OAU | NAT | OAV | 120.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAP | CAL | CAM | CAQ | 0.3° | 0.2° |
| OAP | CAL | CAK | IAO | 0.1° | 0.2° |
| OAP | CAL | CAM | CAK | 179.8° | 179.8° |
| OAP | CAL | CAM | CAN | 180.0° | 180.0° |
| OAP | CAL | CAK | CAJ | 179.9° | 179.8° |
| OAS | CAQ | OAR | CAM | 180.0° | 179.9° |
| OAS | CAQ | CAM | CAL | 13.8° | 0.1° |
| OAS | CAQ | CAM | CAN | 166.5° | 179.8° |
| OAS | CAQ | OAR | H10 | 0.0° | 0.0° |
| OAR | CAQ | CAM | CAL | 166.2° | 180.0° |
| OAR | CAQ | CAM | CAN | 13.5° | 0.2° |
| CAQ | CAM | CAL | CAN | 179.8° | 179.8° |
| CAQ | CAM | CAL | CAK | 179.9° | 180.0° |
| CAQ | CAM | CAN | CAI | 179.9° | 179.7° |
| CAQ | CAM | CAN | H6 | 0.1° | 0.2° |
| CAM | CAQ | OAR | H10 | 180.0° | 180.0° |
| IAO | CAK | CAL | CAM | 179.9° | 180.0° |
| IAO | CAK | CAL | CAJ | 180.0° | 180.0° |
| IAO | CAK | CAJ | CAI | 179.8° | 179.9° |
| IAO | CAK | CAJ | H5 | 0.2° | 0.1° |
| CAM | CAL | CAK | CAJ | 0.1° | 0.0° |
| CAL | CAM | CAN | CAI | 0.3° | 0.5° |
| CAL | CAM | CAN | H6 | 179.7° | 180.0° |
| CAM | CAL | OAP | H9 | 5.5° | 90.0° |
| CAK | CAL | CAM | CAN | 0.2° | 0.2° |
| CAL | CAK | CAJ | CAI | 0.2° | 0.0° |
| CAL | CAK | CAJ | H5 | 179.8° | 179.9° |
| CAK | CAL | OAP | H9 | 174.3° | 89.8° |
| CAM | CAN | CAI | H6 | 180.0° | 179.5° |
| CAM | CAN | CAI | CAJ | 0.4° | 0.6° |
| CAM | CAN | CAI | NAH | 179.6° | 179.8° |
| CAK | CAJ | CAI | CAN | 0.4° | 0.3° |
| CAK | CAJ | CAI | H5 | 180.0° | 179.9° |
| CAK | CAJ | CAI | NAH | 179.6° | 180.0° |
| CAN | CAI | CAJ | NAH | 179.2° | 179.7° |
| CAN | CAI | NAH | NAG | 41.4° | 179.7° |
| CAN | CAI | CAJ | H5 | 179.6° | 179.8° |
| CAJ | CAI | NAH | NAG | 139.4° | 0.1° |
| CAJ | CAI | CAN | H6 | 179.6° | 179.9° |
| CAI | NAH | NAG | CAF | 178.2° | 180.0° |
| NAH | CAI | CAJ | H5 | 0.4° | 0.1° |
| NAH | CAI | CAN | H6 | 0.4° | 0.3° |
| NAH | NAG | CAF | CAE | 4.8° | 180.0° |
| NAH | NAG | CAF | CAA | 174.9° | 0.5° |
| NAG | CAF | CAE | CAA | 179.8° | 179.5° |
| NAG | CAF | CAE | CAD | 179.9° | 180.0° |
| NAG | CAF | CAA | CAB | 179.7° | 180.0° |
| NAG | CAF | CAA | H1 | 0.3° | 0.3° |
| NAG | CAF | CAE | H4 | 0.1° | 0.2° |
| CAF | CAE | CAD | H4 | 180.0° | 179.8° |
| CAE | CAF | CAA | CAB | 0.1° | 0.5° |
| CAF | CAE | CAD | CAC | 0.3° | 0.2° |
| CAE | CAF | CAA | H1 | 179.9° | 179.8° |
| CAF | CAE | CAD | H3 | 179.7° | 179.8° |
| CAA | CAF | CAE | CAD | 0.2° | 0.5° |
| CAF | CAA | CAB | H1 | 180.0° | 179.7° |
| CAF | CAA | CAB | CAC | 0.2° | 0.2° |
| CAF | CAA | CAB | H2 | 179.9° | 179.7° |
| CAA | CAF | CAE | H4 | 179.9° | 179.7° |
| CAE | CAD | CAC | H3 | 180.0° | 180.0° |
| CAE | CAD | CAC | CAB | 0.2° | 0.0° |
| CAE | CAD | CAC | NAT | 179.8° | 180.0° |
| CAA | CAB | CAC | CAD | 0.0° | 0.0° |
| CAA | CAB | CAC | H2 | 180.0° | 179.9° |
| CAA | CAB | CAC | NAT | 179.6° | 180.0° |
| CAD | CAC | CAB | NAT | 179.7° | 179.9° |
| CAD | CAC | NAT | OAU | 53.9° | 180.0° |
| CAD | CAC | NAT | OAV | 125.7° | 0.1° |
| CAD | CAC | CAB | H2 | 180.0° | 180.0° |
| CAC | CAD | CAE | H4 | 179.8° | 180.0° |
| CAB | CAC | NAT | OAU | 125.8° | 0.1° |
| CAB | CAC | NAT | OAV | 54.7° | 180.0° |
| CAC | CAB | CAA | H1 | 179.9° | 179.9° |
| CAB | CAC | CAD | H3 | 179.8° | 179.9° |
| CAC | NAT | OAU | OAV | 179.5° | 180.0° |
| NAT | CAC | CAB | H2 | 0.4° | 0.1° |
| NAT | CAC | CAD | H3 | 0.1° | 0.0° |
| H1 | CAA | CAB | H2 | 0.1° | 0.0° |
| H3 | CAD | CAE | H4 | 0.3° | 0.0° |
