BSG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAO | sing | 1.35Å | 1.23Å | |
| OAB | SAS | doub | 1.42Å | 1.60Å | |
| OAC | SAS | doub | 1.42Å | 1.60Å | |
| OAD | CAO | doub | 1.22Å | 1.22Å | |
| OAE | BOR | sing | 1.42Å | 1.53Å | |
| OAF | BOR | sing | 1.42Å | 1.53Å | |
| CAH | CAJ | doub | 1.38Å | 1.41Å | Aromatic |
| CAH | CAP | sing | 1.38Å | 1.41Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAK | sing | 1.38Å | 1.41Å | Aromatic |
| CAI | CAP | doub | 1.38Å | 1.41Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CAQ | sing | 1.40Å | 1.42Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | CAQ | doub | 1.40Å | 1.42Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | NAN | sing | 1.47Å | 1.48Å | |
| CAL | BOR | sing | 1.57Å | 1.65Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| CAM | CAP | sing | 1.51Å | 1.49Å | |
| CAM | SAS | sing | 1.81Å | 1.83Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| NAN | SAS | sing | 1.66Å | 1.77Å | |
| NAN | HNAN | sing | 0.97Å | 1.00Å | |
| CAO | CAQ | sing | 1.48Å | 1.40Å | |
| OAA | H10 | sing | 0.97Å | 0.95Å | |
| OAE | H11 | sing | 0.97Å | 0.95Å | |
| OAF | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAO | OAD | 115.4° | 120.0° |
| OAA | CAO | CAQ | 122.7° | 120.0° |
| CAO | OAA | H10 | 109.5° | 117.1° |
| OAB | SAS | OAC | 108.7° | 121.0° |
| OAB | SAS | CAM | 108.6° | 110.5° |
| OAB | SAS | NAN | 108.1° | 104.3° |
| OAC | SAS | CAM | 110.7° | 110.5° |
| OAC | SAS | NAN | 109.1° | 104.3° |
| OAD | CAO | CAQ | 121.8° | 120.0° |
| OAE | BOR | OAF | 118.6° | 120.0° |
| OAE | BOR | CAL | 119.8° | 120.0° |
| BOR | OAE | H11 | 109.5° | 114.0° |
| OAF | BOR | CAL | 119.6° | 120.0° |
| BOR | OAF | H12 | 109.5° | 114.0° |
| CAJ | CAH | CAP | 120.8° | 120.2° |
| CAJ | CAH | HAH | 119.6° | 119.9° |
| CAH | CAJ | CAQ | 121.2° | 119.8° |
| CAH | CAJ | HAJ | 119.4° | 120.1° |
| CAP | CAH | HAH | 119.6° | 119.9° |
| CAH | CAP | CAI | 118.2° | 120.2° |
| CAH | CAP | CAM | 120.6° | 119.9° |
| CAK | CAI | CAP | 121.0° | 120.2° |
| CAK | CAI | HAI | 119.5° | 119.9° |
| CAI | CAK | CAQ | 121.2° | 119.8° |
| CAI | CAK | HAK | 119.4° | 120.1° |
| CAP | CAI | HAI | 119.5° | 119.9° |
| CAI | CAP | CAM | 121.2° | 119.9° |
| CAQ | CAJ | HAJ | 119.4° | 120.1° |
| CAJ | CAQ | CAK | 117.5° | 119.7° |
| CAJ | CAQ | CAO | 121.5° | 120.1° |
| CAQ | CAK | HAK | 119.4° | 120.0° |
| CAK | CAQ | CAO | 120.9° | 120.1° |
| NAN | CAL | BOR | 109.7° | 109.5° |
| NAN | CAL | HAL | 109.4° | 109.5° |
| NAN | CAL | HALA | 109.4° | 109.5° |
| CAL | NAN | SAS | 113.4° | 120.0° |
| CAL | NAN | HNAN | 108.2° | 120.0° |
| BOR | CAL | HAL | 109.4° | 109.4° |
| BOR | CAL | HALA | 109.4° | 109.4° |
| HAL | CAL | HALA | 109.6° | 109.5° |
| CAP | CAM | SAS | 112.0° | 109.5° |
| CAP | CAM | HAM | 108.7° | 109.5° |
| CAP | CAM | HAMA | 108.6° | 109.5° |
| SAS | CAM | HAM | 108.6° | 109.5° |
| SAS | CAM | HAMA | 108.6° | 109.5° |
| CAM | SAS | NAN | 111.6° | 104.5° |
| HAM | CAM | HAMA | 110.3° | 109.4° |
| SAS | NAN | HNAN | 108.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAO | OAD | CAQ | 179.7° | 180.0° |
| OAA | CAO | CAQ | CAJ | 160.5° | 180.0° |
| OAA | CAO | CAQ | CAK | 19.6° | 0.0° |
| OAB | SAS | OAC | CAM | 119.3° | 131.5° |
| OAB | SAS | OAC | NAN | 117.6° | 116.8° |
| OAB | SAS | NAN | CAL | 172.3° | 51.1° |
| OAB | SAS | CAM | CAP | 97.3° | 68.4° |
| OAB | SAS | CAM | NAN | 119.0° | 111.7° |
| OAB | SAS | CAM | HAM | 22.7° | 171.7° |
| OAB | SAS | CAM | HAMA | 142.7° | 51.7° |
| OAB | SAS | NAN | HNAN | 67.7° | 128.9° |
| OAC | SAS | NAN | CAL | 54.3° | 179.0° |
| OAC | SAS | CAM | CAP | 22.0° | 68.3° |
| OAC | SAS | CAM | NAN | 121.6° | 111.6° |
| OAC | SAS | CAM | HAM | 142.0° | 51.6° |
| OAC | SAS | CAM | HAMA | 98.0° | 171.6° |
| OAC | SAS | NAN | HNAN | 174.3° | 1.1° |
| OAD | CAO | CAQ | CAJ | 19.2° | 0.0° |
| OAD | CAO | CAQ | CAK | 160.7° | 180.0° |
| OAD | CAO | OAA | H10 | 0.0° | 0.0° |
| OAE | BOR | OAF | CAL | 164.0° | 179.9° |
| OAE | BOR | CAL | NAN | 42.8° | 94.9° |
| OAE | BOR | CAL | HAL | 162.7° | 25.1° |
| OAE | BOR | CAL | HALA | 77.2° | 145.1° |
| OAE | BOR | OAF | H12 | 180.0° | 0.0° |
| OAF | BOR | CAL | NAN | 153.4° | 85.1° |
| OAF | BOR | CAL | HAL | 33.5° | 154.9° |
| OAF | BOR | CAL | HALA | 86.6° | 34.9° |
| OAF | BOR | OAE | H11 | 180.0° | 174.9° |
| CAJ | CAH | CAP | HAH | 180.0° | 179.8° |
| CAJ | CAH | CAP | CAI | 0.9° | 0.1° |
| CAH | CAJ | CAQ | HAJ | 180.0° | 180.0° |
| CAH | CAJ | CAQ | CAK | 1.8° | 0.0° |
| CAJ | CAH | CAP | CAM | 178.8° | 180.0° |
| CAH | CAJ | CAQ | CAO | 178.3° | 180.0° |
| CAH | CAP | CAI | CAK | 1.4° | 0.0° |
| CAH | CAP | CAI | CAM | 179.6° | 179.9° |
| CAH | CAP | CAI | HAI | 178.6° | 179.9° |
| CAP | CAH | CAJ | CAQ | 0.8° | 0.1° |
| CAP | CAH | CAJ | HAJ | 179.2° | 179.9° |
| CAH | CAP | CAM | SAS | 67.9° | 90.1° |
| CAH | CAP | CAM | HAM | 52.1° | 150.0° |
| CAH | CAP | CAM | HAMA | 172.1° | 30.0° |
| HAH | CAH | CAP | CAI | 179.1° | 179.7° |
| HAH | CAH | CAJ | CAQ | 179.3° | 179.8° |
| HAH | CAH | CAJ | HAJ | 0.7° | 0.3° |
| HAH | CAH | CAP | CAM | 1.3° | 0.2° |
| CAK | CAI | CAP | HAI | 180.0° | 180.0° |
| CAI | CAK | CAQ | CAJ | 1.3° | 0.0° |
| CAI | CAK | CAQ | HAK | 180.0° | 180.0° |
| CAK | CAI | CAP | CAM | 178.3° | 180.0° |
| CAI | CAK | CAQ | CAO | 178.8° | 180.0° |
| CAP | CAI | CAK | CAQ | 0.2° | 0.0° |
| CAP | CAI | CAK | HAK | 179.7° | 180.0° |
| CAI | CAP | CAM | SAS | 111.7° | 90.0° |
| CAI | CAP | CAM | HAM | 128.3° | 30.0° |
| CAI | CAP | CAM | HAMA | 8.2° | 150.0° |
| HAI | CAI | CAK | CAQ | 179.7° | 180.0° |
| HAI | CAI | CAK | HAK | 0.3° | 0.0° |
| HAI | CAI | CAP | CAM | 1.8° | 0.0° |
| CAJ | CAQ | CAK | CAO | 179.9° | 180.0° |
| CAJ | CAQ | CAK | HAK | 178.7° | 180.0° |
| HAJ | CAJ | CAQ | CAK | 178.2° | 179.9° |
| HAJ | CAJ | CAQ | CAO | 1.7° | 0.0° |
| HAK | CAK | CAQ | CAO | 1.2° | 0.0° |
| NAN | CAL | BOR | HAL | 120.0° | 120.0° |
| NAN | CAL | BOR | HALA | 120.0° | 120.0° |
| NAN | CAL | HAL | HALA | 119.9° | 120.0° |
| CAL | NAN | SAS | CAM | 68.3° | 65.0° |
| CAL | NAN | SAS | HNAN | 120.0° | 180.0° |
| BOR | CAL | HAL | HALA | 119.9° | 119.9° |
| BOR | CAL | NAN | SAS | 173.0° | 175.1° |
| BOR | CAL | NAN | HNAN | 67.0° | 4.9° |
| CAL | BOR | OAE | H11 | 16.1° | 5.0° |
| CAL | BOR | OAF | H12 | 16.1° | 180.0° |
| HAL | CAL | NAN | SAS | 67.0° | 55.1° |
| HAL | CAL | NAN | HNAN | 53.0° | 124.9° |
| HALA | CAL | NAN | SAS | 53.0° | 64.9° |
| HALA | CAL | NAN | HNAN | 173.0° | 115.1° |
| CAP | CAM | SAS | HAM | 120.0° | 120.0° |
| CAP | CAM | SAS | HAMA | 120.0° | 120.1° |
| CAP | CAM | HAM | HAMA | 119.0° | 120.0° |
| CAP | CAM | SAS | NAN | 143.6° | 180.0° |
| SAS | CAM | HAM | HAMA | 119.0° | 120.0° |
| CAM | SAS | NAN | HNAN | 51.7° | 115.0° |
| HAM | CAM | SAS | NAN | 96.4° | 60.0° |
| HAMA | CAM | SAS | NAN | 23.7° | 60.0° |
| CAQ | CAO | OAA | H10 | 179.7° | 180.0° |
