BNT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAD | sing | 1.53Å | 1.53Å | |
| CAA | HAA1 | sing | 1.09Å | 1.11Å | |
| CAA | HAA2 | sing | 1.09Å | 1.12Å | |
| CAA | HAA3 | sing | 1.09Å | 1.12Å | |
| CAD | CAC | sing | 1.53Å | 1.53Å | |
| CAD | CAE | sing | 1.51Å | 1.40Å | |
| CAD | HAD | sing | 1.09Å | 1.12Å | |
| CAC | HAC1 | sing | 1.09Å | 1.12Å | |
| CAC | HAC2 | sing | 1.09Å | 1.11Å | |
| CAC | HAC3 | sing | 1.09Å | 1.11Å | |
| CAE | CAF | sing | 1.47Å | 1.39Å | |
| CAE | CAJ | doub | 1.34Å | 1.39Å | |
| CAF | OAB | doub | 1.21Å | 1.24Å | |
| CAF | CAG | sing | 1.48Å | 1.40Å | |
| CAG | BRAH | sing | 1.89Å | 1.88Å | |
| CAG | CAL | doub | 1.34Å | 1.39Å | |
| CAL | CAM | sing | 1.51Å | 1.39Å | |
| CAL | CAK | sing | 1.48Å | 1.40Å | |
| CAM | HAM1 | sing | 1.09Å | 1.11Å | |
| CAM | HAM2 | sing | 1.09Å | 1.11Å | |
| CAM | HAM3 | sing | 1.09Å | 1.12Å | |
| CAK | OAN | doub | 1.21Å | 1.23Å | |
| CAK | CAJ | sing | 1.48Å | 1.54Å | |
| CAJ | BRAI | sing | 1.89Å | 1.88Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAD | CAA | HAA1 | 112.0° | 109.6° |
| CAD | CAA | HAA2 | 110.1° | 109.4° |
| CAD | CAA | HAA3 | 112.0° | 109.5° |
| CAA | CAD | CAC | 110.1° | 109.5° |
| CAA | CAD | CAE | 109.4° | 109.5° |
| CAA | CAD | HAD | 113.5° | 109.4° |
| HAA1 | CAA | HAA2 | 112.0° | 109.5° |
| HAA1 | CAA | HAA3 | 98.4° | 109.5° |
| HAA2 | CAA | HAA3 | 112.0° | 109.4° |
| CAC | CAD | CAE | 119.6° | 109.5° |
| CAC | CAD | HAD | 101.6° | 109.5° |
| CAD | CAC | HAC1 | 112.0° | 109.5° |
| CAD | CAC | HAC2 | 110.1° | 109.5° |
| CAD | CAC | HAC3 | 112.0° | 109.4° |
| CAE | CAD | HAD | 102.4° | 109.5° |
| CAD | CAE | CAF | 119.5° | 120.0° |
| CAD | CAE | CAJ | 120.5° | 120.0° |
| HAC1 | CAC | HAC2 | 112.0° | 109.5° |
| HAC1 | CAC | HAC3 | 98.4° | 109.5° |
| HAC2 | CAC | HAC3 | 112.0° | 109.5° |
| CAF | CAE | CAJ | 120.0° | 120.0° |
| CAE | CAF | OAB | 118.5° | 120.0° |
| CAE | CAF | CAG | 122.9° | 120.0° |
| CAE | CAJ | CAK | 117.6° | 120.0° |
| CAE | CAJ | BRAI | 123.1° | 120.0° |
| OAB | CAF | CAG | 118.6° | 120.0° |
| CAF | CAG | BRAH | 119.4° | 120.0° |
| CAF | CAG | CAL | 120.3° | 120.0° |
| BRAH | CAG | CAL | 120.4° | 120.0° |
| CAG | CAL | CAM | 121.3° | 120.0° |
| CAG | CAL | CAK | 120.5° | 120.1° |
| CAM | CAL | CAK | 118.2° | 120.0° |
| CAL | CAM | HAM1 | 108.0° | 109.5° |
| CAL | CAM | HAM2 | 121.3° | 109.5° |
| CAL | CAM | HAM3 | 108.0° | 109.5° |
| CAL | CAK | OAN | 119.9° | 120.0° |
| CAL | CAK | CAJ | 118.8° | 120.0° |
| HAM1 | CAM | HAM2 | 108.0° | 109.4° |
| HAM1 | CAM | HAM3 | 101.9° | 109.4° |
| HAM2 | CAM | HAM3 | 108.0° | 109.4° |
| OAN | CAK | CAJ | 121.3° | 120.0° |
| CAK | CAJ | BRAI | 119.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAD | CAA | HAA1 | HAA2 | 124.2° | 120.0° |
| CAD | CAA | HAA1 | HAA3 | 117.9° | 120.1° |
| CAD | CAA | HAA2 | HAA3 | 125.2° | 120.0° |
| CAA | CAD | CAC | CAE | 127.9° | 120.0° |
| CAA | CAD | CAC | HAD | 120.5° | 120.0° |
| CAA | CAD | CAE | HAD | 120.7° | 119.9° |
| CAA | CAD | CAC | HAC1 | 54.7° | 60.0° |
| CAA | CAD | CAC | HAC2 | 180.0° | 180.0° |
| CAA | CAD | CAC | HAC3 | 54.7° | 60.0° |
| CAA | CAD | CAE | CAF | 77.6° | 60.3° |
| CAA | CAD | CAE | CAJ | 104.5° | 119.9° |
| HAA1 | CAA | HAA2 | HAA3 | 109.5° | 120.0° |
| HAA1 | CAA | CAD | CAC | 54.8° | 180.0° |
| HAA1 | CAA | CAD | CAE | 78.5° | 60.0° |
| HAA1 | CAA | CAD | HAD | 167.8° | 60.0° |
| HAA2 | CAA | CAD | CAC | 180.0° | 60.0° |
| HAA2 | CAA | CAD | CAE | 46.7° | 60.1° |
| HAA2 | CAA | CAD | HAD | 66.9° | 180.0° |
| HAA3 | CAA | CAD | CAC | 54.7° | 60.0° |
| HAA3 | CAA | CAD | CAE | 172.0° | 180.0° |
| HAA3 | CAA | CAD | HAD | 58.3° | 60.1° |
| CAC | CAD | CAE | HAD | 111.1° | 120.0° |
| CAD | CAC | HAC1 | HAC2 | 124.2° | 120.0° |
| CAD | CAC | HAC1 | HAC3 | 117.9° | 120.0° |
| CAD | CAC | HAC2 | HAC3 | 125.2° | 120.0° |
| CAC | CAD | CAE | CAF | 50.5° | 59.8° |
| CAC | CAD | CAE | CAJ | 127.4° | 120.0° |
| CAE | CAD | CAC | HAC1 | 177.4° | 60.1° |
| CAE | CAD | CAC | HAC2 | 52.2° | 60.0° |
| CAE | CAD | CAC | HAC3 | 73.1° | 180.0° |
| CAD | CAE | CAF | CAJ | 177.9° | 179.8° |
| CAD | CAE | CAF | OAB | 1.2° | 0.2° |
| CAD | CAE | CAF | CAG | 177.8° | 179.8° |
| CAD | CAE | CAJ | CAK | 176.7° | 180.0° |
| CAD | CAE | CAJ | BRAI | 7.8° | 0.0° |
| HAD | CAD | CAC | HAC1 | 65.8° | 180.0° |
| HAD | CAD | CAC | HAC2 | 59.4° | 60.0° |
| HAD | CAD | CAC | HAC3 | 175.3° | 60.0° |
| HAD | CAD | CAE | CAF | 161.7° | 179.8° |
| HAD | CAD | CAE | CAJ | 16.2° | 0.0° |
| HAC1 | CAC | HAC2 | HAC3 | 109.5° | 120.0° |
| CAE | CAF | OAB | CAG | 179.1° | 179.6° |
| CAE | CAF | CAG | BRAH | 177.8° | 179.8° |
| CAE | CAF | CAG | CAL | 0.8° | 0.5° |
| CAF | CAE | CAJ | CAK | 1.2° | 0.2° |
| CAF | CAE | CAJ | BRAI | 174.3° | 179.7° |
| CAJ | CAE | CAF | OAB | 179.1° | 180.0° |
| CAJ | CAE | CAF | CAG | 0.1° | 0.4° |
| CAE | CAJ | CAK | CAL | 1.5° | 0.0° |
| CAE | CAJ | CAK | OAN | 176.9° | 179.9° |
| CAE | CAJ | CAK | BRAI | 175.7° | 179.9° |
| OAB | CAF | CAG | BRAH | 3.2° | 0.2° |
| OAB | CAF | CAG | CAL | 178.2° | 180.0° |
| CAF | CAG | BRAH | CAL | 178.6° | 179.7° |
| CAF | CAG | CAL | CAM | 179.3° | 179.8° |
| CAF | CAG | CAL | CAK | 0.4° | 0.3° |
| BRAH | CAG | CAL | CAM | 0.7° | 0.0° |
| BRAH | CAG | CAL | CAK | 178.2° | 180.0° |
| CAG | CAL | CAM | CAK | 178.9° | 180.0° |
| CAG | CAL | CAM | HAM1 | 54.7° | 90.0° |
| CAG | CAL | CAM | HAM2 | 180.0° | 29.9° |
| CAG | CAL | CAM | HAM3 | 54.7° | 149.9° |
| CAG | CAL | CAK | OAN | 177.8° | 180.0° |
| CAG | CAL | CAK | CAJ | 0.7° | 0.0° |
| CAL | CAM | HAM1 | HAM2 | 132.8° | 120.0° |
| CAL | CAM | HAM1 | HAM3 | 113.6° | 120.1° |
| CAL | CAM | HAM2 | HAM3 | 125.3° | 120.0° |
| CAM | CAL | CAK | OAN | 3.3° | 0.1° |
| CAM | CAL | CAK | CAJ | 178.2° | 180.0° |
| CAK | CAL | CAM | HAM1 | 126.4° | 90.0° |
| CAK | CAL | CAM | HAM2 | 1.1° | 150.0° |
| CAK | CAL | CAM | HAM3 | 124.2° | 30.0° |
| CAL | CAK | OAN | CAJ | 178.4° | 180.0° |
| CAL | CAK | CAJ | BRAI | 174.2° | 180.0° |
| HAM1 | CAM | HAM2 | HAM3 | 109.5° | 119.9° |
| OAN | CAK | CAJ | BRAI | 7.4° | 0.0° |
