B6N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAY | NAZ | sing | 1.40Å | 1.25Å | Aromatic |
| NAY | CAX | sing | 1.35Å | 1.33Å | Aromatic |
| NAZ | CBA | doub | 1.31Å | 1.33Å | Aromatic |
| FBD | CBB | sing | 1.40Å | 1.32Å | |
| CAX | CAW | doub | 1.36Å | 1.32Å | Aromatic |
| CBA | CAW | sing | 1.41Å | 1.32Å | Aromatic |
| FAA | CAB | sing | 1.35Å | 1.36Å | |
| CAC | CAB | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAW | CAS | sing | 1.49Å | 1.33Å | |
| CBB | FBE | sing | 1.40Å | 1.33Å | |
| CBB | CAD | sing | 1.51Å | 1.40Å | |
| CBB | FBC | sing | 1.40Å | 1.33Å | |
| CAB | CAG | sing | 1.39Å | 1.39Å | Aromatic |
| CAD | CAE | doub | 1.39Å | 1.40Å | Aromatic |
| CAS | CAR | doub | 1.40Å | 1.38Å | Aromatic |
| CAS | CAT | sing | 1.38Å | 1.39Å | Aromatic |
| CAR | CAQ | sing | 1.36Å | 1.38Å | Aromatic |
| CAT | CAU | doub | 1.40Å | 1.40Å | Aromatic |
| CAG | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAF | sing | 1.39Å | 1.39Å | Aromatic |
| CAE | NAH | sing | 1.40Å | 1.35Å | |
| CAQ | CAP | doub | 1.40Å | 1.39Å | Aromatic |
| CAU | CAP | sing | 1.42Å | 1.40Å | Aromatic |
| CAU | CAV | sing | 1.41Å | 1.43Å | Aromatic |
| CAP | NAO | sing | 1.34Å | 1.33Å | Aromatic |
| NAH | CAV | sing | 1.37Å | 1.38Å | |
| NAH | CAI | sing | 1.35Å | 1.35Å | |
| CAV | CAM | doub | 1.40Å | 1.40Å | Aromatic |
| OAJ | CAI | doub | 1.22Å | 1.23Å | |
| CAI | CAK | sing | 1.41Å | 1.38Å | |
| NAO | CAN | doub | 1.31Å | 1.38Å | Aromatic |
| CAM | CAN | sing | 1.41Å | 1.38Å | Aromatic |
| CAM | CAL | sing | 1.42Å | 1.39Å | |
| CAK | CAL | doub | 1.36Å | 1.38Å | |
| CAC | H1 | sing | 1.08Å | 1.08Å | |
| CAG | H2 | sing | 1.08Å | 1.08Å | |
| CAF | H3 | sing | 1.08Å | 1.08Å | |
| CAT | H4 | sing | 1.08Å | 1.08Å | |
| CAK | H5 | sing | 1.08Å | 1.08Å | |
| CAL | H6 | sing | 1.08Å | 1.08Å | |
| CAN | H7 | sing | 1.08Å | 1.08Å | |
| CAQ | H8 | sing | 1.08Å | 1.08Å | |
| CAR | H9 | sing | 1.08Å | 1.08Å | |
| CAX | H10 | sing | 1.08Å | 1.08Å | |
| NAY | H11 | sing | 0.97Å | 1.00Å | |
| CBA | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAZ | NAY | CAX | 109.8° | 108.2° |
| NAY | NAZ | CBA | 109.8° | 108.5° |
| NAZ | NAY | H11 | 125.1° | 125.9° |
| NAY | CAX | CAW | 105.8° | 107.6° |
| NAY | CAX | H10 | 127.1° | 126.1° |
| CAX | NAY | H11 | 125.1° | 125.9° |
| NAZ | CBA | CAW | 105.8° | 108.1° |
| NAZ | CBA | H12 | 127.1° | 126.0° |
| FBD | CBB | FBE | 109.1° | 109.4° |
| FBD | CBB | CAD | 109.0° | 109.5° |
| FBD | CBB | FBC | 108.5° | 109.5° |
| CAX | CAW | CBA | 108.8° | 107.6° |
| CAX | CAW | CAS | 126.0° | 126.2° |
| CAW | CAX | H10 | 127.1° | 126.2° |
| CBA | CAW | CAS | 125.2° | 126.2° |
| CAW | CBA | H12 | 127.1° | 125.9° |
| FAA | CAB | CAC | 119.8° | 120.0° |
| FAA | CAB | CAG | 120.2° | 119.9° |
| CAB | CAC | CAD | 120.5° | 120.1° |
| CAC | CAB | CAG | 119.9° | 120.1° |
| CAB | CAC | H1 | 119.8° | 120.0° |
| CAC | CAD | CBB | 118.2° | 120.0° |
| CAC | CAD | CAE | 119.7° | 120.0° |
| CAD | CAC | H1 | 119.8° | 120.0° |
| CAW | CAS | CAR | 119.7° | 119.8° |
| CAW | CAS | CAT | 120.6° | 119.8° |
| FBE | CBB | CAD | 110.5° | 109.5° |
| FBE | CBB | FBC | 109.6° | 109.5° |
| CAD | CBB | FBC | 110.1° | 109.5° |
| CBB | CAD | CAE | 122.1° | 120.0° |
| CAB | CAG | CAF | 119.9° | 120.0° |
| CAB | CAG | H2 | 120.0° | 120.0° |
| CAD | CAE | CAF | 119.6° | 119.9° |
| CAD | CAE | NAH | 120.8° | 120.0° |
| CAR | CAS | CAT | 119.7° | 120.4° |
| CAS | CAR | CAQ | 118.5° | 120.9° |
| CAS | CAR | H9 | 120.8° | 119.6° |
| CAS | CAT | CAU | 123.4° | 119.5° |
| CAS | CAT | H4 | 118.3° | 120.3° |
| CAR | CAQ | CAP | 121.4° | 120.2° |
| CAR | CAQ | H8 | 119.3° | 119.8° |
| CAQ | CAR | H9 | 120.7° | 119.6° |
| CAT | CAU | CAP | 115.6° | 119.9° |
| CAT | CAU | CAV | 124.5° | 121.3° |
| CAU | CAT | H4 | 118.3° | 120.2° |
| CAG | CAF | CAE | 120.3° | 120.0° |
| CAF | CAG | H2 | 120.0° | 119.9° |
| CAG | CAF | H3 | 119.8° | 120.0° |
| CAF | CAE | NAH | 119.6° | 120.1° |
| CAE | CAF | H3 | 119.9° | 120.0° |
| CAE | NAH | CAV | 125.8° | 119.8° |
| CAE | NAH | CAI | 112.9° | 119.8° |
| CAQ | CAP | CAU | 121.5° | 119.2° |
| CAQ | CAP | NAO | 116.7° | 120.5° |
| CAP | CAQ | H8 | 119.3° | 119.9° |
| CAP | CAU | CAV | 119.9° | 118.8° |
| CAU | CAP | NAO | 121.8° | 120.3° |
| CAU | CAV | NAH | 126.7° | 121.8° |
| CAU | CAV | CAM | 116.4° | 118.0° |
| CAP | NAO | CAN | 120.0° | 122.3° |
| CAV | NAH | CAI | 121.3° | 120.4° |
| NAH | CAV | CAM | 116.9° | 120.2° |
| NAH | CAI | OAJ | 118.9° | 119.6° |
| NAH | CAI | CAK | 122.3° | 120.8° |
| CAV | CAM | CAN | 121.7° | 119.3° |
| CAV | CAM | CAL | 121.9° | 119.3° |
| OAJ | CAI | CAK | 118.8° | 119.6° |
| CAI | CAK | CAL | 118.3° | 120.3° |
| CAI | CAK | H5 | 120.8° | 119.9° |
| NAO | CAN | CAM | 120.2° | 121.2° |
| NAO | CAN | H7 | 119.9° | 119.4° |
| CAN | CAM | CAL | 116.4° | 121.4° |
| CAM | CAN | H7 | 119.9° | 119.4° |
| CAM | CAL | CAK | 119.3° | 119.0° |
| CAM | CAL | H6 | 120.3° | 120.5° |
| CAL | CAK | H5 | 120.9° | 119.9° |
| CAK | CAL | H6 | 120.3° | 120.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAZ | NAY | CAX | H11 | 180.0° | 179.7° |
| NAZ | NAY | CAX | CAW | 0.3° | 0.0° |
| NAY | NAZ | CBA | CAW | 0.1° | 0.4° |
| NAZ | NAY | CAX | H10 | 179.7° | 180.0° |
| NAY | NAZ | CBA | H12 | 179.9° | 180.0° |
| CAX | NAY | NAZ | CBA | 0.1° | 0.3° |
| NAY | CAX | CAW | H10 | 180.0° | 180.0° |
| NAY | CAX | CAW | CBA | 0.3° | 0.3° |
| NAY | CAX | CAW | CAS | 179.7° | 180.0° |
| NAZ | CBA | CAW | CAX | 0.3° | 0.4° |
| NAZ | CBA | CAW | H12 | 180.0° | 179.5° |
| NAZ | CBA | CAW | CAS | 179.6° | 179.8° |
| CBA | NAZ | NAY | H11 | 179.8° | 180.0° |
| FBD | CBB | CAD | CAC | 5.6° | 120.2° |
| FBD | CBB | FBE | CAD | 119.9° | 120.0° |
| FBD | CBB | FBE | FBC | 118.6° | 120.0° |
| FBD | CBB | CAD | FBC | 118.9° | 120.0° |
| FBD | CBB | CAD | CAE | 174.3° | 60.0° |
| CAX | CAW | CBA | CAS | 179.4° | 179.7° |
| CAX | CAW | CAS | CAR | 169.6° | 36.7° |
| CAX | CAW | CAS | CAT | 10.7° | 143.3° |
| CAW | CAX | NAY | H11 | 179.7° | 179.7° |
| CAX | CAW | CBA | H12 | 179.7° | 180.0° |
| CBA | CAW | CAS | CAR | 11.1° | 143.6° |
| CBA | CAW | CAS | CAT | 168.5° | 36.3° |
| CBA | CAW | CAX | H10 | 179.7° | 179.7° |
| FAA | CAB | CAC | CAG | 179.9° | 179.9° |
| FAA | CAB | CAC | CAD | 179.9° | 180.0° |
| FAA | CAB | CAG | CAF | 179.9° | 180.0° |
| FAA | CAB | CAC | H1 | 0.1° | 0.0° |
| FAA | CAB | CAG | H2 | 0.1° | 0.1° |
| CAB | CAC | CAD | H1 | 180.0° | 180.0° |
| CAB | CAC | CAD | CBB | 180.0° | 180.0° |
| CAB | CAC | CAD | CAE | 0.1° | 0.3° |
| CAC | CAB | CAG | CAF | 0.0° | 0.1° |
| CAC | CAB | CAG | H2 | 180.0° | 180.0° |
| CAC | CAD | CBB | FBE | 125.5° | 0.3° |
| CAC | CAD | CBB | CAE | 179.9° | 179.7° |
| CAC | CAD | CBB | FBC | 113.3° | 119.7° |
| CAD | CAC | CAB | CAG | 0.1° | 0.1° |
| CAC | CAD | CAE | CAF | 0.5° | 0.5° |
| CAC | CAD | CAE | NAH | 179.9° | 179.8° |
| CAW | CAS | CAR | CAT | 179.7° | 179.9° |
| CAW | CAS | CAR | CAQ | 179.8° | 179.9° |
| CAW | CAS | CAT | CAU | 179.7° | 180.0° |
| CAW | CAS | CAT | H4 | 0.3° | 0.0° |
| CAW | CAS | CAR | H9 | 0.2° | 0.0° |
| CAS | CAW | CAX | H10 | 0.3° | 0.0° |
| CAS | CAW | CBA | H12 | 0.4° | 0.3° |
| FBE | CBB | CAD | FBC | 121.2° | 120.0° |
| FBE | CBB | CAD | CAE | 54.3° | 180.0° |
| CBB | CAD | CAE | CAF | 179.6° | 179.8° |
| CBB | CAD | CAE | NAH | 0.2° | 0.0° |
| CBB | CAD | CAC | H1 | 0.0° | 0.0° |
| FBC | CBB | CAD | CAE | 66.8° | 60.0° |
| CAB | CAG | CAF | H2 | 180.0° | 179.9° |
| CAB | CAG | CAF | CAE | 0.4° | 0.3° |
| CAG | CAB | CAC | H1 | 179.9° | 180.0° |
| CAB | CAG | CAF | H3 | 179.6° | 180.0° |
| CAD | CAE | CAF | CAG | 0.7° | 0.5° |
| CAD | CAE | CAF | NAH | 179.4° | 179.7° |
| CAD | CAE | NAH | CAV | 92.3° | 91.6° |
| CAD | CAE | NAH | CAI | 87.7° | 88.2° |
| CAE | CAD | CAC | H1 | 179.9° | 179.7° |
| CAD | CAE | CAF | H3 | 179.3° | 179.8° |
| CAS | CAR | CAQ | H9 | 180.0° | 179.9° |
| CAR | CAS | CAT | CAU | 0.0° | 0.1° |
| CAS | CAR | CAQ | CAP | 0.1° | 0.1° |
| CAR | CAS | CAT | H4 | 180.0° | 180.0° |
| CAS | CAR | CAQ | H8 | 179.9° | 179.9° |
| CAT | CAS | CAR | CAQ | 0.1° | 0.1° |
| CAS | CAT | CAU | H4 | 180.0° | 180.0° |
| CAS | CAT | CAU | CAP | 0.1° | 0.0° |
| CAS | CAT | CAU | CAV | 179.9° | 180.0° |
| CAT | CAS | CAR | H9 | 179.9° | 180.0° |
| CAR | CAQ | CAP | H8 | 180.0° | 179.9° |
| CAR | CAQ | CAP | CAU | 0.0° | 0.1° |
| CAR | CAQ | CAP | NAO | 179.9° | 180.0° |
| CAT | CAU | CAP | CAQ | 0.1° | 0.0° |
| CAT | CAU | CAP | CAV | 180.0° | 180.0° |
| CAT | CAU | CAP | NAO | 180.0° | 180.0° |
| CAT | CAU | CAV | NAH | 0.1° | 0.0° |
| CAT | CAU | CAV | CAM | 179.9° | 180.0° |
| CAG | CAF | CAE | H3 | 180.0° | 179.7° |
| CAG | CAF | CAE | NAH | 179.9° | 179.8° |
| CAF | CAE | NAH | CAV | 88.2° | 88.7° |
| CAF | CAE | NAH | CAI | 91.7° | 91.5° |
| CAE | CAF | CAG | H2 | 179.6° | 179.8° |
| CAE | NAH | CAV | CAU | 0.1° | 0.0° |
| CAE | NAH | CAV | CAI | 180.0° | 179.8° |
| CAE | NAH | CAV | CAM | 179.7° | 180.0° |
| CAE | NAH | CAI | OAJ | 0.1° | 0.0° |
| CAE | NAH | CAI | CAK | 179.6° | 180.0° |
| NAH | CAE | CAF | H3 | 0.1° | 0.0° |
| CAQ | CAP | CAU | NAO | 179.8° | 179.9° |
| CAQ | CAP | CAU | CAV | 179.8° | 180.0° |
| CAQ | CAP | NAO | CAN | 180.0° | 180.0° |
| CAP | CAQ | CAR | H9 | 179.9° | 180.0° |
| CAP | CAU | CAV | NAH | 179.9° | 180.0° |
| CAP | CAU | CAV | CAM | 0.1° | 0.0° |
| CAU | CAP | NAO | CAN | 0.2° | 0.0° |
| CAP | CAU | CAT | H4 | 179.9° | 180.0° |
| CAU | CAP | CAQ | H8 | 179.9° | 180.0° |
| CAV | CAU | CAP | NAO | 0.0° | 0.1° |
| CAU | CAV | NAH | CAM | 179.8° | 180.0° |
| CAU | CAV | NAH | CAI | 179.9° | 179.8° |
| CAU | CAV | CAM | CAN | 0.0° | 0.0° |
| CAU | CAV | CAM | CAL | 179.9° | 180.0° |
| CAV | CAU | CAT | H4 | 0.1° | 0.0° |
| CAP | NAO | CAN | CAM | 0.3° | 0.0° |
| CAP | NAO | CAN | H7 | 179.7° | 179.9° |
| NAO | CAP | CAQ | H8 | 0.1° | 0.1° |
| CAV | NAH | CAI | OAJ | 179.9° | 179.8° |
| CAV | NAH | CAI | CAK | 0.4° | 0.2° |
| NAH | CAV | CAM | CAN | 179.9° | 180.0° |
| NAH | CAV | CAM | CAL | 0.1° | 0.0° |
| CAI | NAH | CAV | CAM | 0.3° | 0.2° |
| NAH | CAI | OAJ | CAK | 179.6° | 180.0° |
| NAH | CAI | CAK | CAL | 0.3° | 0.1° |
| NAH | CAI | CAK | H5 | 179.7° | 180.0° |
| CAV | CAM | CAN | NAO | 0.2° | 0.0° |
| CAV | CAM | CAN | CAL | 180.0° | 180.0° |
| CAV | CAM | CAL | CAK | 0.0° | 0.2° |
| CAV | CAM | CAL | H6 | 179.9° | 179.9° |
| CAV | CAM | CAN | H7 | 179.9° | 179.9° |
| OAJ | CAI | CAK | CAL | 179.8° | 180.0° |
| OAJ | CAI | CAK | H5 | 0.1° | 0.1° |
| CAI | CAK | CAL | CAM | 0.1° | 0.3° |
| CAI | CAK | CAL | H5 | 180.0° | 179.9° |
| CAI | CAK | CAL | H6 | 179.9° | 180.0° |
| NAO | CAN | CAM | H7 | 180.0° | 179.9° |
| NAO | CAN | CAM | CAL | 179.9° | 180.0° |
| CAN | CAM | CAL | CAK | 179.9° | 179.8° |
| CAN | CAM | CAL | H6 | 0.1° | 0.1° |
| CAM | CAL | CAK | H6 | 180.0° | 179.7° |
| CAM | CAL | CAK | H5 | 179.9° | 179.8° |
| CAL | CAM | CAN | H7 | 0.1° | 0.1° |
| H2 | CAG | CAF | H3 | 0.4° | 0.0° |
| H5 | CAK | CAL | H6 | 0.2° | 0.1° |
| H8 | CAQ | CAR | H9 | 0.1° | 0.0° |
| H10 | CAX | NAY | H11 | 0.3° | 0.3° |
