BSH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAT | sing | 1.35Å | 1.23Å | |
| OAB | SAZ | doub | 1.42Å | 1.60Å | |
| OAC | SAZ | doub | 1.42Å | 1.60Å | |
| OAD | CAT | doub | 1.21Å | 1.22Å | |
| OAE | BOR | sing | 1.42Å | 1.53Å | |
| OAF | BOR | sing | 1.42Å | 1.53Å | |
| CAH | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| CAH | CAJ | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAL | sing | 1.38Å | 1.41Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CAM | doub | 1.38Å | 1.41Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | CAN | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | CAO | sing | 1.38Å | 1.41Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | CAU | doub | 1.38Å | 1.41Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | CAU | sing | 1.38Å | 1.42Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAN | CAV | sing | 1.38Å | 1.41Å | Aromatic |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | CAW | doub | 1.40Å | 1.42Å | Aromatic |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAP | CAV | doub | 1.38Å | 1.42Å | Aromatic |
| CAP | CAW | sing | 1.40Å | 1.42Å | Aromatic |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAQ | CAV | sing | 1.51Å | 1.49Å | |
| CAQ | CAX | sing | 1.53Å | 1.56Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| CAQ | HAQA | sing | 1.09Å | 1.10Å | |
| CAR | CAU | sing | 1.51Å | 1.49Å | |
| CAR | SAZ | sing | 1.81Å | 1.83Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAR | HARA | sing | 1.09Å | 1.10Å | |
| NAS | CAX | sing | 1.46Å | 1.49Å | |
| NAS | SAZ | sing | 1.66Å | 1.77Å | |
| NAS | HNAS | sing | 0.97Å | 1.00Å | |
| CAT | CAW | sing | 1.48Å | 1.40Å | |
| CAX | BOR | sing | 1.57Å | 1.65Å | |
| CAX | HAX | sing | 1.09Å | 1.10Å | |
| OAA | H16 | sing | 0.97Å | 0.95Å | |
| OAE | H17 | sing | 0.97Å | 0.95Å | |
| OAF | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAT | OAD | 115.5° | 120.0° |
| OAA | CAT | CAW | 122.7° | 120.0° |
| CAT | OAA | H16 | 109.5° | 117.0° |
| OAB | SAZ | OAC | 108.3° | 121.0° |
| OAB | SAZ | CAR | 108.0° | 110.6° |
| OAB | SAZ | NAS | 107.3° | 104.3° |
| OAC | SAZ | CAR | 111.0° | 110.6° |
| OAC | SAZ | NAS | 109.6° | 104.3° |
| OAD | CAT | CAW | 121.8° | 120.0° |
| OAE | BOR | OAF | 119.3° | 120.0° |
| OAE | BOR | CAX | 120.0° | 120.0° |
| BOR | OAE | H17 | 109.5° | 114.0° |
| OAF | BOR | CAX | 120.5° | 120.0° |
| BOR | OAF | H18 | 109.5° | 114.0° |
| CAI | CAH | CAJ | 119.9° | 120.0° |
| CAI | CAH | HAH | 120.0° | 120.0° |
| CAH | CAI | CAL | 120.1° | 120.0° |
| CAH | CAI | HAI | 120.0° | 120.0° |
| CAJ | CAH | HAH | 120.1° | 120.0° |
| CAH | CAJ | CAM | 119.9° | 120.0° |
| CAH | CAJ | HAJ | 120.0° | 120.0° |
| CAL | CAI | HAI | 120.0° | 120.0° |
| CAI | CAL | CAU | 120.9° | 120.0° |
| CAI | CAL | HAL | 119.5° | 120.0° |
| CAM | CAJ | HAJ | 120.0° | 120.0° |
| CAJ | CAM | CAU | 120.8° | 120.0° |
| CAJ | CAM | HAM | 119.6° | 120.0° |
| CAN | CAK | CAO | 120.1° | 120.2° |
| CAN | CAK | HAK | 119.9° | 119.9° |
| CAK | CAN | CAV | 120.5° | 120.3° |
| CAK | CAN | HAN | 119.8° | 119.9° |
| CAO | CAK | HAK | 119.9° | 119.9° |
| CAK | CAO | CAW | 121.0° | 119.8° |
| CAK | CAO | HAO | 119.5° | 120.1° |
| CAU | CAL | HAL | 119.6° | 120.0° |
| CAL | CAU | CAM | 118.3° | 120.0° |
| CAL | CAU | CAR | 120.5° | 120.0° |
| CAU | CAM | HAM | 119.6° | 120.0° |
| CAM | CAU | CAR | 121.2° | 120.0° |
| CAV | CAN | HAN | 119.7° | 119.8° |
| CAN | CAV | CAP | 118.6° | 120.2° |
| CAN | CAV | CAQ | 120.8° | 119.9° |
| CAW | CAO | HAO | 119.5° | 120.1° |
| CAO | CAW | CAP | 117.8° | 119.7° |
| CAO | CAW | CAT | 121.3° | 120.1° |
| CAV | CAP | CAW | 121.9° | 119.8° |
| CAV | CAP | HAP | 119.0° | 120.1° |
| CAP | CAV | CAQ | 120.6° | 119.9° |
| CAW | CAP | HAP | 119.0° | 120.1° |
| CAP | CAW | CAT | 120.9° | 120.1° |
| CAV | CAQ | CAX | 113.4° | 109.5° |
| CAV | CAQ | HAQ | 108.2° | 109.4° |
| CAV | CAQ | HAQA | 108.2° | 109.5° |
| CAX | CAQ | HAQ | 108.2° | 109.4° |
| CAX | CAQ | HAQA | 108.2° | 109.5° |
| CAQ | CAX | NAS | 110.6° | 109.5° |
| CAQ | CAX | BOR | 108.5° | 109.5° |
| CAQ | CAX | HAX | 109.9° | 109.4° |
| HAQ | CAQ | HAQA | 110.7° | 109.5° |
| CAU | CAR | SAZ | 111.7° | 109.5° |
| CAU | CAR | HAR | 108.7° | 109.5° |
| CAU | CAR | HARA | 108.7° | 109.5° |
| SAZ | CAR | HAR | 108.8° | 109.4° |
| SAZ | CAR | HARA | 108.7° | 109.5° |
| CAR | SAZ | NAS | 112.5° | 104.4° |
| HAR | CAR | HARA | 110.2° | 109.5° |
| CAX | NAS | SAZ | 116.2° | 120.0° |
| CAX | NAS | HNAS | 107.3° | 120.0° |
| NAS | CAX | BOR | 111.0° | 109.5° |
| NAS | CAX | HAX | 107.3° | 109.5° |
| SAZ | NAS | HNAS | 107.3° | 120.0° |
| BOR | CAX | HAX | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAT | OAD | CAW | 179.7° | 180.0° |
| OAA | CAT | CAW | CAO | 24.0° | 0.0° |
| OAA | CAT | CAW | CAP | 156.0° | 180.0° |
| OAB | SAZ | OAC | CAR | 118.3° | 131.5° |
| OAB | SAZ | OAC | NAS | 116.8° | 116.7° |
| OAB | SAZ | CAR | CAU | 98.5° | 67.0° |
| OAB | SAZ | CAR | NAS | 118.2° | 111.6° |
| OAB | SAZ | CAR | HAR | 21.5° | 173.0° |
| OAB | SAZ | CAR | HARA | 141.5° | 53.1° |
| OAB | SAZ | NAS | CAX | 160.2° | 51.8° |
| OAB | SAZ | NAS | HNAS | 79.8° | 128.2° |
| OAC | SAZ | CAR | CAU | 20.0° | 69.8° |
| OAC | SAZ | CAR | NAS | 123.3° | 111.6° |
| OAC | SAZ | CAR | HAR | 140.1° | 50.2° |
| OAC | SAZ | CAR | HARA | 100.0° | 170.2° |
| OAC | SAZ | NAS | CAX | 42.9° | 179.6° |
| OAC | SAZ | NAS | HNAS | 162.9° | 0.4° |
| OAD | CAT | CAW | CAO | 156.3° | 180.0° |
| OAD | CAT | CAW | CAP | 23.6° | 0.0° |
| OAD | CAT | OAA | H16 | 0.0° | 0.0° |
| OAE | BOR | OAF | CAX | 173.7° | 180.0° |
| OAE | BOR | CAX | CAQ | 56.4° | 65.1° |
| OAE | BOR | CAX | NAS | 65.3° | 54.9° |
| OAE | BOR | CAX | HAX | 176.3° | 174.9° |
| OAE | BOR | OAF | H18 | 180.0° | 175.3° |
| OAF | BOR | CAX | CAQ | 117.3° | 114.9° |
| OAF | BOR | CAX | NAS | 121.0° | 125.1° |
| OAF | BOR | CAX | HAX | 2.6° | 5.1° |
| OAF | BOR | OAE | H17 | 180.0° | 175.2° |
| CAI | CAH | CAJ | HAH | 180.0° | 179.8° |
| CAH | CAI | CAL | HAI | 180.0° | 180.0° |
| CAI | CAH | CAJ | CAM | 0.7° | 0.0° |
| CAI | CAH | CAJ | HAJ | 179.3° | 180.0° |
| CAH | CAI | CAL | CAU | 0.5° | 0.1° |
| CAH | CAI | CAL | HAL | 179.5° | 180.0° |
| CAJ | CAH | CAI | CAL | 0.5° | 0.0° |
| CAJ | CAH | CAI | HAI | 179.5° | 180.0° |
| CAH | CAJ | CAM | HAJ | 180.0° | 180.0° |
| CAH | CAJ | CAM | CAU | 0.2° | 0.0° |
| CAH | CAJ | CAM | HAM | 179.9° | 179.9° |
| HAH | CAH | CAI | CAL | 179.5° | 179.7° |
| HAH | CAH | CAI | HAI | 0.5° | 0.3° |
| HAH | CAH | CAJ | CAM | 179.3° | 179.8° |
| HAH | CAH | CAJ | HAJ | 0.6° | 0.3° |
| CAI | CAL | CAU | HAL | 180.0° | 180.0° |
| CAI | CAL | CAU | CAM | 1.3° | 0.1° |
| CAI | CAL | CAU | CAR | 177.9° | 179.9° |
| HAI | CAI | CAL | CAU | 179.5° | 179.9° |
| HAI | CAI | CAL | HAL | 0.5° | 0.0° |
| CAJ | CAM | CAU | CAL | 1.1° | 0.0° |
| CAJ | CAM | CAU | HAM | 180.0° | 180.0° |
| CAJ | CAM | CAU | CAR | 178.1° | 179.9° |
| HAJ | CAJ | CAM | CAU | 179.8° | 180.0° |
| HAJ | CAJ | CAM | HAM | 0.2° | 0.0° |
| CAN | CAK | CAO | HAK | 180.0° | 179.6° |
| CAK | CAN | CAV | HAN | 180.0° | 179.9° |
| CAN | CAK | CAO | CAW | 0.2° | 0.0° |
| CAN | CAK | CAO | HAO | 179.7° | 179.9° |
| CAK | CAN | CAV | CAP | 0.1° | 0.0° |
| CAK | CAN | CAV | CAQ | 179.8° | 179.9° |
| CAO | CAK | CAN | CAV | 0.0° | 0.1° |
| CAO | CAK | CAN | HAN | 180.0° | 180.0° |
| CAK | CAO | CAW | HAO | 180.0° | 179.9° |
| CAK | CAO | CAW | CAP | 0.4° | 0.0° |
| CAK | CAO | CAW | CAT | 179.5° | 180.0° |
| HAK | CAK | CAN | CAV | 179.9° | 179.7° |
| HAK | CAK | CAN | HAN | 0.1° | 0.4° |
| HAK | CAK | CAO | CAW | 179.8° | 179.7° |
| HAK | CAK | CAO | HAO | 0.2° | 0.3° |
| CAL | CAU | CAM | CAR | 179.2° | 180.0° |
| CAL | CAU | CAM | HAM | 178.9° | 180.0° |
| CAL | CAU | CAR | SAZ | 106.6° | 90.0° |
| CAL | CAU | CAR | HAR | 133.4° | 150.0° |
| CAL | CAU | CAR | HARA | 13.4° | 30.0° |
| HAL | CAL | CAU | CAM | 178.7° | 180.0° |
| HAL | CAL | CAU | CAR | 2.1° | 0.0° |
| CAM | CAU | CAR | SAZ | 72.7° | 90.0° |
| CAM | CAU | CAR | HAR | 47.3° | 29.9° |
| CAM | CAU | CAR | HARA | 167.3° | 150.0° |
| HAM | CAM | CAU | CAR | 1.9° | 0.0° |
| CAN | CAV | CAP | CAQ | 179.9° | 180.0° |
| CAN | CAV | CAP | CAW | 0.0° | 0.0° |
| CAN | CAV | CAP | HAP | 179.9° | 180.0° |
| CAN | CAV | CAQ | CAX | 88.4° | 84.5° |
| CAN | CAV | CAQ | HAQ | 31.6° | 155.5° |
| CAN | CAV | CAQ | HAQA | 151.7° | 35.5° |
| HAN | CAN | CAV | CAP | 179.9° | 180.0° |
| HAN | CAN | CAV | CAQ | 0.2° | 0.0° |
| CAO | CAW | CAP | CAV | 0.3° | 0.0° |
| CAO | CAW | CAP | CAT | 179.9° | 180.0° |
| CAO | CAW | CAP | HAP | 179.7° | 180.0° |
| HAO | CAO | CAW | CAP | 179.6° | 179.9° |
| HAO | CAO | CAW | CAT | 0.5° | 0.0° |
| CAV | CAP | CAW | HAP | 180.0° | 180.0° |
| CAP | CAV | CAQ | CAX | 91.7° | 95.5° |
| CAP | CAV | CAQ | HAQ | 148.3° | 24.4° |
| CAP | CAV | CAQ | HAQA | 28.3° | 144.4° |
| CAV | CAP | CAW | CAT | 179.6° | 180.0° |
| CAW | CAP | CAV | CAQ | 180.0° | 180.0° |
| HAP | CAP | CAV | CAQ | 0.0° | 0.0° |
| HAP | CAP | CAW | CAT | 0.4° | 0.1° |
| CAV | CAQ | CAX | HAQ | 120.0° | 119.9° |
| CAV | CAQ | CAX | HAQA | 120.0° | 120.0° |
| CAV | CAQ | HAQ | HAQA | 118.4° | 120.0° |
| CAV | CAQ | CAX | NAS | 67.6° | 175.6° |
| CAV | CAQ | CAX | BOR | 170.4° | 64.4° |
| CAV | CAQ | CAX | HAX | 50.7° | 55.6° |
| CAX | CAQ | HAQ | HAQA | 118.4° | 120.1° |
| CAQ | CAX | NAS | BOR | 120.4° | 120.0° |
| CAQ | CAX | NAS | HAX | 119.9° | 119.9° |
| CAQ | CAX | NAS | SAZ | 167.9° | 146.7° |
| CAQ | CAX | NAS | HNAS | 72.1° | 33.3° |
| CAQ | CAX | BOR | HAX | 119.9° | 120.0° |
| HAQ | CAQ | CAX | NAS | 172.4° | 64.5° |
| HAQ | CAQ | CAX | BOR | 50.4° | 55.6° |
| HAQ | CAQ | CAX | HAX | 69.3° | 175.6° |
| HAQA | CAQ | CAX | NAS | 52.4° | 55.6° |
| HAQA | CAQ | CAX | BOR | 69.6° | 175.6° |
| HAQA | CAQ | CAX | HAX | 170.7° | 64.4° |
| CAU | CAR | SAZ | HAR | 120.0° | 120.0° |
| CAU | CAR | SAZ | HARA | 120.0° | 120.1° |
| CAU | CAR | HAR | HARA | 119.1° | 120.1° |
| CAU | CAR | SAZ | NAS | 143.3° | 178.6° |
| SAZ | CAR | HAR | HARA | 119.1° | 120.0° |
| CAR | SAZ | NAS | CAX | 81.1° | 64.3° |
| CAR | SAZ | NAS | HNAS | 38.8° | 115.7° |
| HAR | CAR | SAZ | NAS | 96.7° | 61.4° |
| HARA | CAR | SAZ | NAS | 23.3° | 58.6° |
| CAX | NAS | SAZ | HNAS | 120.0° | 180.0° |
| NAS | CAX | BOR | HAX | 118.3° | 120.0° |
| SAZ | NAS | CAX | BOR | 71.6° | 93.3° |
| SAZ | NAS | CAX | HAX | 48.0° | 26.7° |
| HNAS | NAS | CAX | BOR | 48.3° | 86.7° |
| HNAS | NAS | CAX | HAX | 168.0° | 153.3° |
| CAW | CAT | OAA | H16 | 179.7° | 180.0° |
| CAX | BOR | OAE | H17 | 6.2° | 4.8° |
| CAX | BOR | OAF | H18 | 6.3° | 4.7° |
