BLQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | CAA | sing | 1.42Å | 1.56Å | |
| CAF | CAA | sing | 1.41Å | 1.49Å | |
| CAA | NAS | doub | 1.33Å | 1.44Å | |
| CAC | CAB | doub | 1.35Å | 1.40Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAD | CAC | sing | 1.41Å | 1.51Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| OAU | CAD | doub | 1.22Å | 1.40Å | |
| CAD | CAE | sing | 1.47Å | 1.53Å | |
| CAH | CAE | sing | 1.47Å | 1.48Å | |
| CAE | CAF | doub | 1.39Å | 1.42Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAM | CAG | doub | 1.39Å | 1.49Å | Aromatic |
| CAG | CAQ | sing | 1.38Å | 1.44Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| OAW | CAH | doub | 1.22Å | 1.37Å | |
| CAH | OAV | sing | 1.35Å | 1.38Å | |
| NAT | CAI | sing | 1.35Å | 1.47Å | |
| CAP | CAI | sing | 1.48Å | 1.53Å | |
| CAI | OAY | doub | 1.22Å | 1.41Å | |
| CAL | CAJ | sing | 1.53Å | 1.53Å | |
| CAJ | NAT | sing | 1.46Å | 1.48Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å | |
| CAL | CAK | sing | 1.51Å | 1.53Å | |
| OAX | CAK | doub | 1.21Å | 1.40Å | |
| CAK | OAZ | sing | 1.34Å | 1.39Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| CAN | CAM | sing | 1.39Å | 1.42Å | Aromatic |
| NAR | CAM | sing | 1.39Å | 1.48Å | |
| CAN | CAO | doub | 1.38Å | 1.40Å | Aromatic |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | CAP | sing | 1.40Å | 1.52Å | Aromatic |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAP | CAQ | doub | 1.40Å | 1.38Å | Aromatic |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| NAR | NAS | sing | 1.29Å | 1.38Å | |
| NAR | HNAR | sing | 0.97Å | 1.00Å | |
| NAT | HNAT | sing | 0.97Å | 1.00Å | |
| OAV | HOAV | sing | 0.97Å | 0.95Å | |
| OAZ | HOAZ | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAA | CAF | 119.4° | 120.7° |
| CAB | CAA | NAS | 118.8° | 119.7° |
| CAA | CAB | CAC | 120.7° | 121.0° |
| CAA | CAB | HAB | 119.7° | 119.5° |
| CAF | CAA | NAS | 119.7° | 119.7° |
| CAA | CAF | CAE | 119.7° | 119.6° |
| CAA | CAF | HAF | 120.2° | 120.2° |
| CAA | NAS | NAR | 109.9° | 120.0° |
| CAC | CAB | HAB | 119.7° | 119.5° |
| CAB | CAC | CAD | 119.5° | 120.3° |
| CAB | CAC | HAC | 120.3° | 119.8° |
| CAD | CAC | HAC | 120.2° | 119.9° |
| CAC | CAD | OAU | 120.3° | 120.3° |
| CAC | CAD | CAE | 120.0° | 119.3° |
| OAU | CAD | CAE | 119.7° | 120.4° |
| CAD | CAE | CAH | 118.2° | 120.5° |
| CAD | CAE | CAF | 120.8° | 119.1° |
| CAH | CAE | CAF | 121.1° | 120.5° |
| CAE | CAH | OAW | 119.6° | 120.0° |
| CAE | CAH | OAV | 119.0° | 120.0° |
| CAE | CAF | HAF | 120.1° | 120.2° |
| CAM | CAG | CAQ | 119.9° | 120.1° |
| CAM | CAG | HAG | 120.0° | 120.0° |
| CAG | CAM | CAN | 119.1° | 120.1° |
| CAG | CAM | NAR | 121.1° | 119.9° |
| CAQ | CAG | HAG | 120.1° | 120.0° |
| CAG | CAQ | CAP | 120.5° | 119.9° |
| CAG | CAQ | HAQ | 119.8° | 120.0° |
| OAW | CAH | OAV | 121.4° | 120.0° |
| CAH | OAV | HOAV | 109.5° | 117.0° |
| NAT | CAI | CAP | 119.7° | 120.0° |
| NAT | CAI | OAY | 119.4° | 120.0° |
| CAI | NAT | CAJ | 119.4° | 120.0° |
| CAI | NAT | HNAT | 120.3° | 120.0° |
| CAP | CAI | OAY | 121.0° | 120.0° |
| CAI | CAP | CAO | 119.3° | 120.0° |
| CAI | CAP | CAQ | 121.1° | 120.0° |
| CAL | CAJ | NAT | 117.1° | 109.5° |
| CAL | CAJ | HAJ | 107.0° | 109.5° |
| CAL | CAJ | HAJA | 107.0° | 109.5° |
| CAJ | CAL | CAK | 118.4° | 109.5° |
| CAJ | CAL | HAL | 106.6° | 109.5° |
| CAJ | CAL | HALA | 106.6° | 109.5° |
| NAT | CAJ | HAJ | 107.0° | 109.5° |
| NAT | CAJ | HAJA | 107.0° | 109.5° |
| CAJ | NAT | HNAT | 120.3° | 120.0° |
| HAJ | CAJ | HAJA | 111.8° | 109.5° |
| CAL | CAK | OAX | 119.9° | 120.0° |
| CAL | CAK | OAZ | 120.0° | 120.0° |
| CAK | CAL | HAL | 106.6° | 109.4° |
| CAK | CAL | HALA | 106.6° | 109.5° |
| OAX | CAK | OAZ | 120.0° | 120.0° |
| CAK | OAZ | HOAZ | 109.5° | 117.0° |
| HAL | CAL | HALA | 112.2° | 109.5° |
| CAN | CAM | NAR | 119.8° | 119.9° |
| CAM | CAN | CAO | 120.9° | 120.0° |
| CAM | CAN | HAN | 119.5° | 120.0° |
| CAM | NAR | NAS | 123.5° | 120.0° |
| CAM | NAR | HNAR | 118.3° | 120.0° |
| CAO | CAN | HAN | 119.5° | 120.0° |
| CAN | CAO | CAP | 120.0° | 119.9° |
| CAN | CAO | HAO | 120.0° | 120.0° |
| CAP | CAO | HAO | 120.1° | 120.1° |
| CAO | CAP | CAQ | 119.6° | 119.9° |
| CAP | CAQ | HAQ | 119.8° | 120.1° |
| NAS | NAR | HNAR | 118.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAA | CAF | NAS | 163.5° | 179.7° |
| CAA | CAB | CAC | HAB | 180.0° | 180.0° |
| CAA | CAB | CAC | CAD | 0.5° | 0.0° |
| CAA | CAB | CAC | HAC | 179.5° | 179.9° |
| CAB | CAA | CAF | CAE | 1.2° | 0.5° |
| CAB | CAA | CAF | HAF | 178.9° | 179.9° |
| CAB | CAA | NAS | NAR | 29.7° | 5.6° |
| CAF | CAA | CAB | CAC | 1.2° | 0.3° |
| CAF | CAA | CAB | HAB | 178.8° | 179.8° |
| CAA | CAF | CAE | CAD | 0.5° | 0.5° |
| CAA | CAF | CAE | CAH | 179.3° | 179.7° |
| CAA | CAF | CAE | HAF | 180.0° | 179.5° |
| CAF | CAA | NAS | NAR | 166.8° | 174.1° |
| NAS | CAA | CAB | CAC | 164.9° | 180.0° |
| NAS | CAA | CAB | HAB | 15.2° | 0.1° |
| NAS | CAA | CAF | CAE | 164.7° | 179.8° |
| NAS | CAA | CAF | HAF | 15.4° | 0.2° |
| CAA | NAS | NAR | CAM | 103.7° | 174.9° |
| CAA | NAS | NAR | HNAR | 76.4° | 5.1° |
| CAB | CAC | CAD | HAC | 180.0° | 179.9° |
| CAB | CAC | CAD | OAU | 179.5° | 179.9° |
| CAB | CAC | CAD | CAE | 0.2° | 0.0° |
| HAB | CAB | CAC | CAD | 179.5° | 179.9° |
| HAB | CAB | CAC | HAC | 0.5° | 0.0° |
| CAC | CAD | OAU | CAE | 179.7° | 180.0° |
| CAC | CAD | CAE | CAH | 180.0° | 180.0° |
| CAC | CAD | CAE | CAF | 0.2° | 0.2° |
| HAC | CAC | CAD | OAU | 0.5° | 0.0° |
| HAC | CAC | CAD | CAE | 179.8° | 180.0° |
| OAU | CAD | CAE | CAH | 0.3° | 0.0° |
| OAU | CAD | CAE | CAF | 179.5° | 179.8° |
| CAD | CAE | CAH | CAF | 179.8° | 179.8° |
| CAD | CAE | CAF | HAF | 179.5° | 180.0° |
| CAD | CAE | CAH | OAW | 0.1° | 180.0° |
| CAD | CAE | CAH | OAV | 179.3° | 0.0° |
| CAH | CAE | CAF | HAF | 0.7° | 0.2° |
| CAE | CAH | OAW | OAV | 179.1° | 180.0° |
| CAE | CAH | OAV | HOAV | 179.1° | 180.0° |
| CAF | CAE | CAH | OAW | 179.9° | 0.2° |
| CAF | CAE | CAH | OAV | 1.0° | 179.8° |
| CAM | CAG | CAQ | HAG | 180.0° | 179.8° |
| CAG | CAM | CAN | NAR | 178.9° | 180.0° |
| CAG | CAM | CAN | CAO | 0.5° | 0.0° |
| CAG | CAM | CAN | HAN | 179.5° | 180.0° |
| CAM | CAG | CAQ | CAP | 0.4° | 0.0° |
| CAM | CAG | CAQ | HAQ | 179.6° | 179.7° |
| CAG | CAM | NAR | NAS | 117.5° | 180.0° |
| CAG | CAM | NAR | HNAR | 62.5° | 0.0° |
| CAG | CAQ | CAP | CAI | 180.0° | 180.0° |
| CAQ | CAG | CAM | CAN | 0.6° | 0.0° |
| CAQ | CAG | CAM | NAR | 179.5° | 180.0° |
| CAG | CAQ | CAP | CAO | 0.1° | 0.0° |
| CAG | CAQ | CAP | HAQ | 180.0° | 179.7° |
| HAG | CAG | CAM | CAN | 179.4° | 179.8° |
| HAG | CAG | CAM | NAR | 0.5° | 0.2° |
| HAG | CAG | CAQ | CAP | 179.6° | 179.8° |
| HAG | CAG | CAQ | HAQ | 0.4° | 0.0° |
| OAW | CAH | OAV | HOAV | 0.0° | 0.0° |
| NAT | CAI | CAP | OAY | 179.8° | 180.0° |
| CAI | NAT | CAJ | CAL | 57.8° | 180.0° |
| CAI | NAT | CAJ | HNAT | 180.0° | 180.0° |
| CAI | NAT | CAJ | HAJ | 177.8° | 60.0° |
| CAI | NAT | CAJ | HAJA | 62.3° | 60.0° |
| NAT | CAI | CAP | CAO | 0.0° | 180.0° |
| NAT | CAI | CAP | CAQ | 180.0° | 0.0° |
| CAP | CAI | NAT | CAJ | 156.0° | 180.0° |
| CAI | CAP | CAO | CAN | 179.9° | 180.0° |
| CAI | CAP | CAO | CAQ | 180.0° | 180.0° |
| CAI | CAP | CAO | HAO | 0.1° | 0.1° |
| CAI | CAP | CAQ | HAQ | 0.1° | 0.2° |
| CAP | CAI | NAT | HNAT | 24.0° | 0.0° |
| OAY | CAI | NAT | CAJ | 23.8° | 0.0° |
| OAY | CAI | CAP | CAO | 179.8° | 0.0° |
| OAY | CAI | CAP | CAQ | 0.2° | 180.0° |
| OAY | CAI | NAT | HNAT | 156.1° | 180.0° |
| CAL | CAJ | NAT | HAJ | 120.0° | 120.0° |
| CAL | CAJ | NAT | HAJA | 120.0° | 120.0° |
| CAL | CAJ | HAJ | HAJA | 116.9° | 120.0° |
| CAJ | CAL | CAK | HAL | 120.0° | 120.0° |
| CAJ | CAL | CAK | HALA | 120.0° | 120.1° |
| CAJ | CAL | CAK | OAX | 170.1° | 0.0° |
| CAJ | CAL | CAK | OAZ | 9.8° | 180.0° |
| CAJ | CAL | HAL | HALA | 116.3° | 120.0° |
| CAL | CAJ | NAT | HNAT | 122.3° | 0.0° |
| NAT | CAJ | HAJ | HAJA | 116.9° | 120.0° |
| NAT | CAJ | CAL | CAK | 152.3° | 180.0° |
| NAT | CAJ | CAL | HAL | 87.7° | 60.1° |
| NAT | CAJ | CAL | HALA | 32.3° | 60.0° |
| HAJ | CAJ | CAL | CAK | 87.7° | 60.0° |
| HAJ | CAJ | CAL | HAL | 32.3° | 60.0° |
| HAJ | CAJ | CAL | HALA | 152.3° | 180.0° |
| HAJ | CAJ | NAT | HNAT | 2.3° | 120.0° |
| HAJA | CAJ | CAL | CAK | 32.3° | 60.0° |
| HAJA | CAJ | CAL | HAL | 152.3° | 179.9° |
| HAJA | CAJ | CAL | HALA | 87.7° | 60.1° |
| HAJA | CAJ | NAT | HNAT | 117.7° | 120.0° |
| CAL | CAK | OAX | OAZ | 179.9° | 180.0° |
| CAK | CAL | HAL | HALA | 116.3° | 120.0° |
| CAL | CAK | OAZ | HOAZ | 179.8° | 180.0° |
| OAX | CAK | CAL | HAL | 69.9° | 120.0° |
| OAX | CAK | CAL | HALA | 50.1° | 120.0° |
| OAX | CAK | OAZ | HOAZ | 0.0° | 0.0° |
| OAZ | CAK | CAL | HAL | 110.2° | 60.0° |
| OAZ | CAK | CAL | HALA | 129.8° | 59.9° |
| CAM | CAN | CAO | HAN | 180.0° | 180.0° |
| CAM | CAN | CAO | CAP | 0.2° | 0.0° |
| CAM | CAN | CAO | HAO | 179.8° | 180.0° |
| CAN | CAM | NAR | NAS | 63.6° | 0.0° |
| CAN | CAM | NAR | HNAR | 116.4° | 180.0° |
| NAR | CAM | CAN | CAO | 179.4° | 180.0° |
| NAR | CAM | CAN | HAN | 0.6° | 0.0° |
| CAM | NAR | NAS | HNAR | 180.0° | 180.0° |
| CAN | CAO | CAP | HAO | 180.0° | 179.9° |
| CAN | CAO | CAP | CAQ | 0.0° | 0.0° |
| HAN | CAN | CAO | CAP | 179.8° | 180.0° |
| HAN | CAN | CAO | HAO | 0.2° | 0.0° |
| CAO | CAP | CAQ | HAQ | 179.9° | 179.7° |
| HAO | CAO | CAP | CAQ | 180.0° | 180.0° |
