BX5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAJ | CAI | doub | 1.21Å | 1.19Å | |
| CAH | CAI | sing | 1.51Å | 1.53Å | |
| CAH | CAG | sing | 1.53Å | 1.56Å | |
| CAI | NAK | sing | 1.35Å | 1.31Å | |
| NAB | NAD | sing | 1.29Å | 1.33Å | Aromatic |
| NAB | NAA | sing | 1.29Å | 1.31Å | Aromatic |
| NAK | NAL | sing | 1.37Å | 1.33Å | |
| NAD | CAE | doub | 1.31Å | 1.29Å | Aromatic |
| NAA | NAC | doub | 1.29Å | 1.26Å | Aromatic |
| CAE | NAC | sing | 1.33Å | 1.30Å | Aromatic |
| CAE | CAF | sing | 1.51Å | 1.49Å | |
| CAG | CAF | sing | 1.53Å | 1.49Å | |
| NAB | HAB | sing | 0.97Å | 1.00Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAF | HAG | sing | 1.09Å | 1.10Å | |
| CAG | HAI | sing | 1.09Å | 1.10Å | |
| CAG | HAH | sing | 1.09Å | 1.10Å | |
| CAH | HAJ | sing | 1.09Å | 1.10Å | |
| CAH | HAK | sing | 1.09Å | 1.10Å | |
| NAK | HAO | sing | 0.97Å | 1.00Å | |
| NAL | HAL | sing | 1.01Å | 1.00Å | |
| NAL | HAM | sing | 1.01Å | 1.00Å | |
| NAL | HAN | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAJ | CAI | CAH | 122.2° | 120.0° |
| OAJ | CAI | NAK | 120.3° | 120.0° |
| CAI | CAH | CAG | 106.0° | 109.4° |
| CAH | CAI | NAK | 117.3° | 120.0° |
| CAI | CAH | HAJ | 110.4° | 109.5° |
| CAI | CAH | HAK | 110.4° | 109.4° |
| CAH | CAG | CAF | 116.4° | 109.4° |
| CAH | CAG | HAI | 107.7° | 109.5° |
| CAH | CAG | HAH | 107.7° | 109.5° |
| CAG | CAH | HAJ | 110.3° | 109.5° |
| CAG | CAH | HAK | 110.3° | 109.5° |
| CAI | NAK | NAL | 115.9° | 120.0° |
| CAI | NAK | HAO | 122.0° | 120.0° |
| NAD | NAB | NAA | 104.5° | 109.0° |
| NAB | NAD | CAE | 107.3° | 107.9° |
| NAD | NAB | HAB | 127.7° | 125.4° |
| NAB | NAA | NAC | 112.2° | 108.8° |
| NAA | NAB | HAB | 127.8° | 125.5° |
| NAL | NAK | HAO | 122.1° | 120.0° |
| NAK | NAL | HAL | 109.5° | 109.5° |
| NAK | NAL | HAM | 109.4° | 109.5° |
| NAK | NAL | HAN | 109.5° | 109.5° |
| NAD | CAE | NAC | 110.4° | 106.9° |
| NAD | CAE | CAF | 124.9° | 126.6° |
| NAA | NAC | CAE | 105.7° | 107.3° |
| NAC | CAE | CAF | 124.7° | 126.5° |
| CAE | CAF | CAG | 109.6° | 109.4° |
| CAE | CAF | HAF | 109.4° | 109.5° |
| CAE | CAF | HAG | 109.4° | 109.5° |
| CAG | CAF | HAF | 109.4° | 109.5° |
| CAG | CAF | HAG | 109.5° | 109.4° |
| CAF | CAG | HAI | 107.7° | 109.5° |
| CAF | CAG | HAH | 107.7° | 109.4° |
| HAF | CAF | HAG | 109.5° | 109.5° |
| HAI | CAG | HAH | 109.5° | 109.5° |
| HAJ | CAH | HAK | 109.4° | 109.5° |
| HAL | NAL | HAM | 109.5° | 109.5° |
| HAL | NAL | HAN | 109.4° | 109.5° |
| HAM | NAL | HAN | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAJ | CAI | CAH | NAK | 174.7° | 180.0° |
| OAJ | CAI | CAH | CAG | 108.6° | 0.0° |
| OAJ | CAI | NAK | NAL | 1.8° | 0.1° |
| OAJ | CAI | CAH | HAJ | 10.9° | 120.0° |
| OAJ | CAI | CAH | HAK | 131.9° | 119.9° |
| OAJ | CAI | NAK | HAO | 178.2° | 180.0° |
| CAI | CAH | CAG | HAJ | 119.5° | 120.0° |
| CAI | CAH | CAG | HAK | 119.5° | 119.9° |
| CAH | CAI | NAK | NAL | 176.6° | 180.0° |
| CAI | CAH | CAG | CAF | 175.0° | 180.0° |
| CAI | CAH | CAG | HAI | 54.0° | 60.0° |
| CAI | CAH | CAG | HAH | 64.0° | 60.0° |
| CAI | CAH | HAJ | HAK | 121.6° | 120.0° |
| CAH | CAI | NAK | HAO | 3.4° | 0.1° |
| CAG | CAH | CAI | NAK | 66.1° | 180.0° |
| CAH | CAG | CAF | CAE | 74.5° | 180.0° |
| CAH | CAG | CAF | HAI | 121.0° | 120.0° |
| CAH | CAG | CAF | HAH | 121.0° | 120.0° |
| CAH | CAG | CAF | HAF | 165.5° | 60.0° |
| CAH | CAG | CAF | HAG | 45.5° | 60.0° |
| CAH | CAG | HAI | HAH | 116.8° | 120.0° |
| CAG | CAH | HAJ | HAK | 121.6° | 120.0° |
| CAI | NAK | NAL | HAO | 180.0° | 179.9° |
| NAK | CAI | CAH | HAJ | 174.4° | 60.1° |
| NAK | CAI | CAH | HAK | 53.3° | 60.0° |
| CAI | NAK | NAL | HAL | 180.0° | 60.0° |
| CAI | NAK | NAL | HAM | 60.0° | 60.0° |
| CAI | NAK | NAL | HAN | 60.0° | 180.0° |
| NAD | NAB | NAA | HAB | 180.0° | 180.0° |
| NAD | NAB | NAA | NAC | 0.2° | 0.0° |
| NAB | NAD | CAE | NAC | 1.8° | 0.1° |
| NAB | NAD | CAE | CAF | 179.4° | 180.0° |
| NAA | NAB | NAD | CAE | 0.9° | 0.0° |
| NAB | NAA | NAC | CAE | 1.3° | 0.0° |
| NAK | NAL | HAL | HAM | 120.0° | 120.0° |
| NAK | NAL | HAL | HAN | 120.0° | 120.0° |
| NAK | NAL | HAM | HAN | 120.0° | 120.0° |
| NAD | CAE | NAC | NAA | 1.9° | 0.1° |
| NAD | CAE | NAC | CAF | 177.6° | 179.9° |
| NAD | CAE | CAF | CAG | 150.4° | 90.0° |
| CAE | NAD | NAB | HAB | 179.1° | 180.0° |
| NAD | CAE | CAF | HAF | 89.6° | 149.9° |
| NAD | CAE | CAF | HAG | 30.4° | 29.9° |
| NAA | NAC | CAE | CAF | 179.5° | 180.0° |
| NAC | NAA | NAB | HAB | 179.8° | 180.0° |
| NAC | CAE | CAF | CAG | 32.3° | 90.1° |
| NAC | CAE | CAF | HAF | 87.7° | 29.9° |
| NAC | CAE | CAF | HAG | 152.4° | 149.9° |
| CAE | CAF | CAG | HAF | 120.0° | 120.0° |
| CAE | CAF | CAG | HAG | 120.0° | 120.0° |
| CAE | CAF | HAF | HAG | 119.9° | 120.0° |
| CAE | CAF | CAG | HAI | 164.4° | 60.0° |
| CAE | CAF | CAG | HAH | 46.5° | 60.0° |
| CAG | CAF | HAF | HAG | 120.0° | 120.0° |
| CAF | CAG | HAI | HAH | 116.8° | 120.0° |
| CAF | CAG | CAH | HAJ | 65.6° | 60.0° |
| CAF | CAG | CAH | HAK | 55.5° | 60.1° |
| HAF | CAF | CAG | HAI | 44.4° | 180.0° |
| HAF | CAF | CAG | HAH | 73.6° | 60.0° |
| HAG | CAF | CAG | HAI | 75.5° | 60.0° |
| HAG | CAF | CAG | HAH | 166.5° | 180.0° |
| HAI | CAG | CAH | HAJ | 173.4° | NaN° |
| HAI | CAG | CAH | HAK | 65.5° | 59.9° |
| HAH | CAG | CAH | HAJ | 55.4° | 59.9° |
| HAH | CAG | CAH | HAK | 176.5° | 180.0° |
| HAO | NAK | NAL | HAL | 0.0° | 120.1° |
| HAO | NAK | NAL | HAM | 120.0° | 119.9° |
| HAO | NAK | NAL | HAN | 120.0° | 0.1° |
| HAL | NAL | HAM | HAN | 120.0° | 120.0° |
