QPB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAG | CAB | sing | 1.36Å | 1.36Å | |
| CAB | CAF | doub | 1.39Å | 1.40Å | Aromatic |
| CAB | CAA | sing | 1.39Å | 1.40Å | Aromatic |
| CAF | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAA | CAC | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | CAD | doub | 1.40Å | 1.40Å | Aromatic |
| CAC | CAD | sing | 1.40Å | 1.42Å | Aromatic |
| CAD | CAH | sing | 1.47Å | 1.42Å | |
| CAN | OAM | sing | 1.43Å | 1.43Å | |
| OAM | CAK | sing | 1.35Å | 1.36Å | |
| CAH | CAI | doub | 1.35Å | 1.33Å | |
| CAK | CAI | sing | 1.42Å | 1.55Å | |
| CAK | OAL | doub | 1.22Å | 1.22Å | |
| CAI | CAJ | sing | 1.51Å | 1.57Å | |
| CAN | H1 | sing | 1.09Å | 1.10Å | |
| CAN | H2 | sing | 1.09Å | 1.10Å | |
| CAN | H3 | sing | 1.09Å | 1.10Å | |
| CAJ | H4 | sing | 1.09Å | 1.10Å | |
| CAJ | H5 | sing | 1.09Å | 1.10Å | |
| CAJ | H6 | sing | 1.09Å | 1.10Å | |
| CAH | H7 | sing | 1.08Å | 1.08Å | |
| CAC | H8 | sing | 1.08Å | 1.08Å | |
| CAA | H9 | sing | 1.08Å | 1.08Å | |
| OAG | H10 | sing | 0.97Å | 0.95Å | |
| CAF | H11 | sing | 1.08Å | 1.08Å | |
| CAE | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAG | CAB | CAF | 119.5° | 119.9° |
| OAG | CAB | CAA | 120.3° | 119.9° |
| CAB | OAG | H10 | 109.5° | 114.0° |
| CAF | CAB | CAA | 120.2° | 120.3° |
| CAB | CAF | CAE | 120.7° | 120.1° |
| CAB | CAF | H11 | 119.7° | 120.0° |
| CAB | CAA | CAC | 119.0° | 120.1° |
| CAB | CAA | H9 | 120.5° | 120.0° |
| CAF | CAE | CAD | 120.5° | 119.9° |
| CAE | CAF | H11 | 119.7° | 119.9° |
| CAF | CAE | H12 | 119.8° | 120.1° |
| CAA | CAC | CAD | 121.6° | 119.9° |
| CAA | CAC | H8 | 119.2° | 120.1° |
| CAC | CAA | H9 | 120.5° | 120.0° |
| CAE | CAD | CAC | 118.0° | 119.8° |
| CAE | CAD | CAH | 116.8° | 120.1° |
| CAD | CAE | H12 | 119.8° | 120.0° |
| CAC | CAD | CAH | 125.2° | 120.1° |
| CAD | CAC | H8 | 119.2° | 120.1° |
| CAD | CAH | CAI | 126.2° | 120.0° |
| CAD | CAH | H7 | 116.9° | 119.9° |
| CAN | OAM | CAK | 120.3° | 117.0° |
| OAM | CAN | H1 | 109.5° | 109.5° |
| OAM | CAN | H2 | 109.4° | 109.4° |
| OAM | CAN | H3 | 109.4° | 109.5° |
| OAM | CAK | CAI | 118.1° | 120.0° |
| OAM | CAK | OAL | 124.3° | 120.0° |
| CAH | CAI | CAK | 125.5° | 120.0° |
| CAH | CAI | CAJ | 117.8° | 120.0° |
| CAI | CAH | H7 | 116.9° | 120.1° |
| CAI | CAK | OAL | 117.6° | 120.1° |
| CAK | CAI | CAJ | 116.7° | 120.0° |
| CAI | CAJ | H4 | 109.5° | 109.4° |
| CAI | CAJ | H5 | 109.5° | 109.5° |
| CAI | CAJ | H6 | 109.4° | 109.5° |
| H1 | CAN | H2 | 109.5° | 109.4° |
| H1 | CAN | H3 | 109.5° | 109.5° |
| H2 | CAN | H3 | 109.5° | 109.5° |
| H4 | CAJ | H5 | 109.5° | 109.5° |
| H4 | CAJ | H6 | 109.5° | 109.5° |
| H5 | CAJ | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAG | CAB | CAF | CAA | 178.7° | 179.8° |
| OAG | CAB | CAF | CAE | 179.7° | 180.0° |
| OAG | CAB | CAA | CAC | 179.5° | 179.8° |
| OAG | CAB | CAA | H9 | 0.4° | 0.2° |
| OAG | CAB | CAF | H11 | 0.3° | 0.2° |
| CAB | CAF | CAE | H11 | 180.0° | 179.8° |
| CAF | CAB | CAA | CAC | 0.9° | 0.0° |
| CAB | CAF | CAE | CAD | 2.7° | 0.5° |
| CAF | CAB | CAA | H9 | 179.1° | 180.0° |
| CAF | CAB | OAG | H10 | 180.0° | 90.0° |
| CAB | CAF | CAE | H12 | 177.3° | 180.0° |
| CAA | CAB | CAF | CAE | 1.7° | 0.2° |
| CAB | CAA | CAC | H9 | 180.0° | 179.9° |
| CAB | CAA | CAC | CAD | 1.1° | 0.0° |
| CAB | CAA | CAC | H8 | 178.9° | 179.9° |
| CAA | CAB | OAG | H10 | 1.3° | 89.8° |
| CAA | CAB | CAF | H11 | 178.3° | 180.0° |
| CAF | CAE | CAD | H12 | 180.0° | 179.5° |
| CAF | CAE | CAD | CAC | 2.8° | 0.5° |
| CAF | CAE | CAD | CAH | 178.9° | 179.8° |
| CAA | CAC | CAD | CAE | 2.1° | 0.2° |
| CAA | CAC | CAD | H8 | 180.0° | 180.0° |
| CAA | CAC | CAD | CAH | 179.8° | 180.0° |
| CAE | CAD | CAC | CAH | 178.1° | 179.8° |
| CAE | CAD | CAH | CAI | 129.3° | 44.7° |
| CAE | CAD | CAH | H7 | 50.7° | 135.3° |
| CAE | CAD | CAC | H8 | 177.9° | 179.8° |
| CAD | CAE | CAF | H11 | 177.3° | 179.7° |
| CAC | CAD | CAH | CAI | 52.6° | 135.5° |
| CAC | CAD | CAH | H7 | 127.4° | 44.5° |
| CAD | CAC | CAA | H9 | 178.9° | 180.0° |
| CAC | CAD | CAE | H12 | 177.1° | 180.0° |
| CAD | CAH | CAI | H7 | 180.0° | 180.0° |
| CAD | CAH | CAI | CAK | 3.8° | 11.6° |
| CAD | CAH | CAI | CAJ | 175.2° | 168.5° |
| CAH | CAD | CAC | H8 | 0.2° | 0.0° |
| CAH | CAD | CAE | H12 | 1.1° | 0.2° |
| CAN | OAM | CAK | CAI | 150.0° | 180.0° |
| CAN | OAM | CAK | OAL | 30.7° | 0.0° |
| OAM | CAN | H1 | H2 | 120.0° | 120.0° |
| OAM | CAN | H1 | H3 | 120.0° | 120.0° |
| OAM | CAN | H2 | H3 | 120.0° | 120.0° |
| OAM | CAK | CAI | CAH | 0.3° | 172.8° |
| OAM | CAK | CAI | OAL | 179.3° | 180.0° |
| OAM | CAK | CAI | CAJ | 178.8° | 7.2° |
| CAK | OAM | CAN | H1 | 180.0° | 60.0° |
| CAK | OAM | CAN | H2 | 60.0° | 180.0° |
| CAK | OAM | CAN | H3 | 60.0° | 60.0° |
| CAH | CAI | CAK | CAJ | 179.0° | 179.9° |
| CAH | CAI | CAK | OAL | 179.1° | 7.1° |
| CAH | CAI | CAJ | H4 | 180.0° | 90.0° |
| CAH | CAI | CAJ | H5 | 60.0° | 29.9° |
| CAH | CAI | CAJ | H6 | 60.0° | 150.0° |
| CAK | CAI | CAJ | H4 | 0.9° | 90.0° |
| CAK | CAI | CAJ | H5 | 119.1° | 150.0° |
| CAK | CAI | CAJ | H6 | 120.9° | 29.9° |
| CAK | CAI | CAH | H7 | 176.3° | 168.4° |
| OAL | CAK | CAI | CAJ | 1.9° | 172.8° |
| CAI | CAJ | H4 | H5 | 120.0° | 120.0° |
| CAI | CAJ | H4 | H6 | 120.0° | 120.0° |
| CAI | CAJ | H5 | H6 | 119.9° | 120.0° |
| CAJ | CAI | CAH | H7 | 4.7° | 11.5° |
| H1 | CAN | H2 | H3 | 120.0° | 120.0° |
| H4 | CAJ | H5 | H6 | 120.0° | 120.0° |
| H8 | CAC | CAA | H9 | 1.1° | 0.0° |
| H11 | CAF | CAE | H12 | 2.7° | 0.2° |
