B4N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAG | CAK | doub | 1.38Å | 1.43Å | Aromatic |
| CAG | CAQ | sing | 1.39Å | 1.39Å | Aromatic |
| CAK | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| CAS | NAU | sing | 1.48Å | 1.37Å | |
| CAS | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| NAU | OAD | doub | 1.22Å | 1.38Å | |
| NAU | OAA | sing | 1.22Å | 1.43Å | |
| CAL | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | CAQ | doub | 1.39Å | 1.41Å | Aromatic |
| CAQ | OAO | sing | 1.36Å | 1.37Å | |
| OAO | PAW | sing | 1.61Å | 1.58Å | |
| PAW | OAF | sing | 1.61Å | 1.50Å | |
| PAW | OAC | doub | 1.48Å | 1.48Å | |
| PAW | OAP | sing | 1.61Å | 1.59Å | |
| OAP | CAR | sing | 1.36Å | 1.36Å | |
| CAR | CAI | doub | 1.39Å | 1.37Å | Aromatic |
| CAR | CAJ | sing | 1.39Å | 1.39Å | Aromatic |
| CAI | CAM | sing | 1.38Å | 1.37Å | Aromatic |
| CAM | CAT | doub | 1.38Å | 1.38Å | Aromatic |
| CAT | NAV | sing | 1.48Å | 1.36Å | |
| CAT | CAN | sing | 1.38Å | 1.42Å | Aromatic |
| NAV | OAE | doub | 1.22Å | 1.41Å | |
| NAV | OAB | sing | 1.22Å | 1.43Å | |
| CAN | CAJ | doub | 1.38Å | 1.42Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| OAF | HOAF | sing | 0.97Å | 0.95Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAK | CAG | CAQ | 119.1° | 120.0° |
| CAG | CAK | CAS | 118.4° | 120.0° |
| CAK | CAG | HAG | 120.4° | 120.0° |
| CAG | CAK | HAK | 120.8° | 120.0° |
| CAG | CAQ | CAH | 122.3° | 119.9° |
| CAG | CAQ | OAO | 127.1° | 120.1° |
| CAQ | CAG | HAG | 120.4° | 120.1° |
| CAK | CAS | NAU | 122.1° | 119.9° |
| CAK | CAS | CAL | 121.3° | 120.1° |
| CAS | CAK | HAK | 120.8° | 120.0° |
| NAU | CAS | CAL | 116.4° | 120.0° |
| CAS | NAU | OAD | 123.7° | 120.0° |
| CAS | NAU | OAA | 120.2° | 120.0° |
| CAS | CAL | CAH | 121.5° | 120.0° |
| CAS | CAL | HAL | 119.3° | 120.0° |
| OAD | NAU | OAA | 115.5° | 120.0° |
| CAL | CAH | CAQ | 117.3° | 120.0° |
| CAH | CAL | HAL | 119.3° | 120.0° |
| CAL | CAH | HAH | 121.3° | 120.0° |
| CAH | CAQ | OAO | 110.4° | 120.0° |
| CAQ | CAH | HAH | 121.3° | 120.1° |
| CAQ | OAO | PAW | 127.1° | 114.0° |
| OAO | PAW | OAF | 111.7° | 109.5° |
| OAO | PAW | OAC | 111.1° | 109.5° |
| OAO | PAW | OAP | 97.7° | 109.4° |
| OAF | PAW | OAC | 122.3° | 109.5° |
| OAF | PAW | OAP | 102.0° | 109.5° |
| PAW | OAF | HOAF | 109.5° | 114.0° |
| OAC | PAW | OAP | 108.6° | 109.5° |
| PAW | OAP | CAR | 123.5° | 114.0° |
| OAP | CAR | CAI | 116.4° | 120.0° |
| OAP | CAR | CAJ | 121.7° | 120.1° |
| CAI | CAR | CAJ | 121.7° | 119.9° |
| CAR | CAI | CAM | 123.8° | 120.0° |
| CAR | CAI | HAI | 118.1° | 120.1° |
| CAR | CAJ | CAN | 116.0° | 119.9° |
| CAR | CAJ | HAJ | 122.0° | 120.1° |
| CAI | CAM | CAT | 116.7° | 120.0° |
| CAM | CAI | HAI | 118.1° | 120.0° |
| CAI | CAM | HAM | 121.6° | 120.0° |
| CAM | CAT | NAV | 119.0° | 119.9° |
| CAM | CAT | CAN | 120.9° | 120.2° |
| CAT | CAM | HAM | 121.6° | 120.0° |
| NAV | CAT | CAN | 119.9° | 119.9° |
| CAT | NAV | OAE | 122.1° | 120.0° |
| CAT | NAV | OAB | 111.4° | 120.0° |
| CAT | CAN | CAJ | 120.8° | 120.0° |
| CAT | CAN | HAN | 119.7° | 120.0° |
| OAE | NAV | OAB | 126.4° | 120.0° |
| CAJ | CAN | HAN | 119.6° | 120.0° |
| CAN | CAJ | HAJ | 122.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAK | CAG | CAQ | HAG | 180.0° | 179.7° |
| CAG | CAK | CAS | HAK | 180.0° | 180.0° |
| CAG | CAK | CAS | NAU | 174.2° | 180.0° |
| CAG | CAK | CAS | CAL | 0.4° | 0.0° |
| CAK | CAG | CAQ | CAH | 1.7° | 0.0° |
| CAK | CAG | CAQ | OAO | 176.5° | 180.0° |
| CAQ | CAG | CAK | CAS | 2.0° | 0.0° |
| CAG | CAQ | CAH | CAL | 0.3° | 0.1° |
| CAG | CAQ | CAH | OAO | 175.6° | 180.0° |
| CAG | CAQ | OAO | PAW | 22.2° | 90.0° |
| CAQ | CAG | CAK | HAK | 178.0° | 180.0° |
| CAG | CAQ | CAH | HAH | 179.7° | 180.0° |
| CAK | CAS | NAU | CAL | 174.8° | 180.0° |
| CAK | CAS | NAU | OAD | 26.9° | 0.1° |
| CAK | CAS | NAU | OAA | 144.4° | 180.0° |
| CAK | CAS | CAL | CAH | 1.6° | 0.0° |
| CAS | CAK | CAG | HAG | 178.0° | 179.7° |
| CAK | CAS | CAL | HAL | 178.4° | 179.9° |
| CAS | NAU | OAD | OAA | 171.7° | 179.9° |
| NAU | CAS | CAL | CAH | 176.5° | 179.9° |
| NAU | CAS | CAK | HAK | 5.8° | 0.0° |
| NAU | CAS | CAL | HAL | 3.6° | 0.0° |
| CAL | CAS | NAU | OAD | 158.3° | 179.9° |
| CAL | CAS | NAU | OAA | 30.5° | 0.0° |
| CAS | CAL | CAH | HAL | 180.0° | 179.9° |
| CAS | CAL | CAH | CAQ | 1.9° | 0.1° |
| CAL | CAS | CAK | HAK | 179.6° | 180.0° |
| CAS | CAL | CAH | HAH | 178.1° | 180.0° |
| CAL | CAH | CAQ | HAH | 180.0° | 179.9° |
| CAL | CAH | CAQ | OAO | 175.4° | 179.9° |
| CAH | CAQ | OAO | PAW | 162.5° | 90.0° |
| CAH | CAQ | CAG | HAG | 178.4° | 179.7° |
| CAQ | CAH | CAL | HAL | 178.1° | 180.0° |
| CAQ | OAO | PAW | OAF | 3.9° | 65.0° |
| CAQ | OAO | PAW | OAC | 144.3° | 55.0° |
| CAQ | OAO | PAW | OAP | 102.3° | 175.0° |
| OAO | CAQ | CAG | HAG | 3.5° | 0.3° |
| OAO | CAQ | CAH | HAH | 4.7° | 0.0° |
| OAO | PAW | OAF | OAC | 135.2° | 120.0° |
| OAO | PAW | OAF | OAP | 103.4° | 119.9° |
| OAO | PAW | OAC | OAP | 106.4° | 120.0° |
| OAO | PAW | OAP | CAR | 102.5° | 175.0° |
| OAO | PAW | OAF | HOAF | 143.9° | 60.0° |
| OAF | PAW | OAC | OAP | 118.2° | 120.0° |
| OAF | PAW | OAP | CAR | 143.3° | 65.0° |
| OAC | PAW | OAP | CAR | 12.9° | 55.0° |
| OAC | PAW | OAF | HOAF | 80.9° | 180.0° |
| PAW | OAP | CAR | CAI | 103.2° | 90.0° |
| PAW | OAP | CAR | CAJ | 82.5° | 90.3° |
| OAP | PAW | OAF | HOAF | 40.5° | 60.0° |
| OAP | CAR | CAI | CAJ | 174.4° | 179.7° |
| OAP | CAR | CAI | CAM | 178.9° | 180.0° |
| OAP | CAR | CAJ | CAN | 176.5° | 179.7° |
| OAP | CAR | CAI | HAI | 1.1° | 0.0° |
| OAP | CAR | CAJ | HAJ | 3.5° | 0.0° |
| CAR | CAI | CAM | HAI | 180.0° | 180.0° |
| CAR | CAI | CAM | CAT | 2.8° | 0.0° |
| CAI | CAR | CAJ | CAN | 2.5° | 0.6° |
| CAR | CAI | CAM | HAM | 177.2° | 180.0° |
| CAI | CAR | CAJ | HAJ | 177.6° | 179.7° |
| CAJ | CAR | CAI | CAM | 4.6° | 0.3° |
| CAR | CAJ | CAN | CAT | 1.0° | 0.6° |
| CAR | CAJ | CAN | HAJ | 180.0° | 179.7° |
| CAJ | CAR | CAI | HAI | 175.4° | 179.7° |
| CAR | CAJ | CAN | HAN | 179.0° | 179.7° |
| CAI | CAM | CAT | HAM | 180.0° | 180.0° |
| CAI | CAM | CAT | NAV | 176.2° | 180.0° |
| CAI | CAM | CAT | CAN | 0.8° | 0.0° |
| CAM | CAT | NAV | CAN | 175.5° | 180.0° |
| CAM | CAT | NAV | OAE | 74.6° | 0.0° |
| CAM | CAT | NAV | OAB | 107.3° | 180.0° |
| CAM | CAT | CAN | CAJ | 2.6° | 0.3° |
| CAT | CAM | CAI | HAI | 177.2° | 180.0° |
| CAM | CAT | CAN | HAN | 177.4° | 180.0° |
| CAT | NAV | OAE | OAB | 177.8° | 179.9° |
| NAV | CAT | CAN | CAJ | 178.0° | 179.7° |
| NAV | CAT | CAM | HAM | 3.8° | 0.0° |
| NAV | CAT | CAN | HAN | 2.0° | 0.0° |
| CAN | CAT | NAV | OAE | 109.9° | 180.0° |
| CAN | CAT | NAV | OAB | 68.2° | 0.0° |
| CAT | CAN | CAJ | HAN | 180.0° | 179.7° |
| CAN | CAT | CAM | HAM | 179.2° | 180.0° |
| CAT | CAN | CAJ | HAJ | 179.0° | 179.7° |
| HAG | CAG | CAK | HAK | 1.9° | 0.3° |
| HAL | CAL | CAH | HAH | 1.9° | 0.1° |
| HAI | CAI | CAM | HAM | 2.8° | 0.0° |
| HAN | CAN | CAJ | HAJ | 1.0° | 0.0° |
