BI3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NBC | CBB | sing | 1.47Å | 1.47Å | |
| NBC | HBC1 | sing | 1.01Å | 1.02Å | |
| NBC | HBC2 | sing | 1.01Å | 1.02Å | |
| CBB | CBA | sing | 1.53Å | 1.53Å | |
| CBB | HBB1 | sing | 1.09Å | 1.12Å | |
| CBB | HBB2 | sing | 1.09Å | 1.12Å | |
| CBA | CAY | sing | 1.53Å | 1.53Å | |
| CBA | HBA1 | sing | 1.09Å | 1.12Å | |
| CBA | HBA2 | sing | 1.09Å | 1.11Å | |
| CAY | NAH | sing | 1.46Å | 1.47Å | |
| CAY | HAY1 | sing | 1.09Å | 1.11Å | |
| CAY | HAY2 | sing | 1.09Å | 1.11Å | |
| NAH | CAW | sing | 1.36Å | 1.34Å | Aromatic |
| NAH | CAE | sing | 1.38Å | 1.33Å | Aromatic |
| CAW | CAG | doub | 1.36Å | 1.33Å | Aromatic |
| CAW | HAW | sing | 1.08Å | 1.10Å | |
| CAE | CAF | sing | 1.39Å | 1.39Å | Aromatic |
| CAE | CAD | doub | 1.40Å | 1.39Å | Aromatic |
| CAF | CAA | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.10Å | |
| CAA | CAB | sing | 1.39Å | 1.39Å | Aromatic |
| CAA | HAA | sing | 1.08Å | 1.10Å | |
| CAB | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAB | HAB | sing | 1.08Å | 1.10Å | |
| CAC | CAD | sing | 1.39Å | 1.39Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.10Å | |
| CAD | CAG | sing | 1.47Å | 1.39Å | Aromatic |
| CAG | CAI | sing | 1.47Å | 1.40Å | |
| CAI | CAT | sing | 1.48Å | 1.39Å | |
| CAI | CAJ | doub | 1.39Å | 1.39Å | |
| CAT | OAZ | doub | 1.21Å | 1.23Å | |
| CAT | NAU | sing | 1.34Å | 1.33Å | |
| NAU | CAV | sing | 1.34Å | 1.33Å | |
| NAU | HAU | sing | 0.97Å | 1.02Å | |
| CAV | OAX | doub | 1.22Å | 1.23Å | |
| CAV | CAJ | sing | 1.48Å | 1.39Å | |
| CAJ | CAK | sing | 1.47Å | 1.40Å | |
| CAK | CAM | sing | 1.47Å | 1.39Å | Aromatic |
| CAK | CAL | doub | 1.36Å | 1.33Å | Aromatic |
| CAM | CAP | sing | 1.39Å | 1.39Å | Aromatic |
| CAM | CAN | doub | 1.40Å | 1.39Å | Aromatic |
| CAP | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| CAP | HAP | sing | 1.08Å | 1.10Å | |
| CAQ | CAR | sing | 1.39Å | 1.39Å | Aromatic |
| CAQ | HAQ | sing | 1.08Å | 1.10Å | |
| CAR | CAS | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | HAR | sing | 1.08Å | 1.10Å | |
| CAS | CAN | sing | 1.39Å | 1.39Å | Aromatic |
| CAS | HAS | sing | 1.08Å | 1.10Å | |
| CAN | NAO | sing | 1.38Å | 1.33Å | Aromatic |
| NAO | CAL | sing | 1.36Å | 1.34Å | Aromatic |
| NAO | HAO | sing | 0.97Å | 1.02Å | |
| CAL | HAL | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CBB | NBC | HBC1 | 140.8° | 106.7° |
| CBB | NBC | HBC2 | 140.8° | 106.7° |
| NBC | CBB | CBA | 109.7° | 109.5° |
| NBC | CBB | HBB1 | 112.1° | 109.5° |
| NBC | CBB | HBB2 | 112.1° | 109.4° |
| HBC1 | NBC | HBC2 | 62.2° | 106.7° |
| CBA | CBB | HBB1 | 112.1° | 109.5° |
| CBA | CBB | HBB2 | 112.1° | 109.5° |
| CBB | CBA | CAY | 112.0° | 109.4° |
| CBB | CBA | HBA1 | 111.3° | 109.5° |
| CBB | CBA | HBA2 | 111.3° | 109.5° |
| HBB1 | CBB | HBB2 | 98.3° | 109.5° |
| CAY | CBA | HBA1 | 111.3° | 109.4° |
| CAY | CBA | HBA2 | 111.3° | 109.5° |
| CBA | CAY | NAH | 114.6° | 109.5° |
| CBA | CAY | HAY1 | 110.3° | 109.4° |
| CBA | CAY | HAY2 | 110.4° | 109.5° |
| HBA1 | CBA | HBA2 | 99.1° | 109.5° |
| NAH | CAY | HAY1 | 110.3° | 109.4° |
| NAH | CAY | HAY2 | 110.3° | 109.6° |
| CAY | NAH | CAW | 124.2° | 125.0° |
| CAY | NAH | CAE | 123.1° | 124.8° |
| HAY1 | CAY | HAY2 | 99.9° | 109.4° |
| CAW | NAH | CAE | 112.0° | 110.3° |
| NAH | CAW | CAG | 107.9° | 109.7° |
| NAH | CAW | HAW | 126.1° | 125.1° |
| NAH | CAE | CAF | 134.3° | 133.2° |
| NAH | CAE | CAD | 104.8° | 107.5° |
| CAG | CAW | HAW | 126.1° | 125.1° |
| CAW | CAG | CAD | 107.4° | 106.5° |
| CAW | CAG | CAI | 120.6° | 126.7° |
| CAF | CAE | CAD | 120.9° | 119.4° |
| CAE | CAF | CAA | 119.6° | 119.9° |
| CAE | CAF | HAF | 120.2° | 120.1° |
| CAE | CAD | CAC | 119.2° | 120.1° |
| CAE | CAD | CAG | 107.9° | 106.0° |
| CAA | CAF | HAF | 120.2° | 119.9° |
| CAF | CAA | CAB | 119.9° | 120.6° |
| CAF | CAA | HAA | 120.0° | 119.7° |
| CAB | CAA | HAA | 120.1° | 119.6° |
| CAA | CAB | CAC | 120.0° | 120.3° |
| CAA | CAB | HAB | 120.0° | 119.8° |
| CAC | CAB | HAB | 120.0° | 119.8° |
| CAB | CAC | CAD | 120.4° | 119.7° |
| CAB | CAC | HAC | 119.8° | 120.2° |
| CAD | CAC | HAC | 119.8° | 120.2° |
| CAC | CAD | CAG | 132.8° | 133.9° |
| CAD | CAG | CAI | 131.3° | 126.8° |
| CAG | CAI | CAT | 123.3° | 127.0° |
| CAG | CAI | CAJ | 129.4° | 126.9° |
| CAT | CAI | CAJ | 107.1° | 106.1° |
| CAI | CAT | OAZ | 127.5° | 125.7° |
| CAI | CAT | NAU | 106.2° | 108.6° |
| CAI | CAJ | CAV | 107.8° | 106.1° |
| CAI | CAJ | CAK | 128.7° | 127.0° |
| OAZ | CAT | NAU | 126.2° | 125.6° |
| CAT | NAU | CAV | 113.2° | 110.5° |
| CAT | NAU | HAU | 123.4° | 124.7° |
| CAV | NAU | HAU | 123.4° | 124.7° |
| NAU | CAV | OAX | 126.5° | 125.7° |
| NAU | CAV | CAJ | 105.7° | 108.6° |
| OAX | CAV | CAJ | 127.7° | 125.7° |
| CAV | CAJ | CAK | 123.6° | 126.9° |
| CAJ | CAK | CAM | 133.6° | 126.8° |
| CAJ | CAK | CAL | 118.4° | 126.7° |
| CAM | CAK | CAL | 107.1° | 106.5° |
| CAK | CAM | CAP | 133.3° | 133.9° |
| CAK | CAM | CAN | 107.6° | 106.0° |
| CAK | CAL | NAO | 108.6° | 109.7° |
| CAK | CAL | HAL | 125.7° | 125.2° |
| CAP | CAM | CAN | 119.1° | 120.1° |
| CAM | CAP | CAQ | 120.2° | 119.7° |
| CAM | CAP | HAP | 119.9° | 120.2° |
| CAM | CAN | CAS | 121.2° | 119.4° |
| CAM | CAN | NAO | 105.5° | 107.5° |
| CAQ | CAP | HAP | 119.9° | 120.1° |
| CAP | CAQ | CAR | 120.3° | 120.3° |
| CAP | CAQ | HAQ | 119.8° | 119.8° |
| CAR | CAQ | HAQ | 119.8° | 119.9° |
| CAQ | CAR | CAS | 119.8° | 120.6° |
| CAQ | CAR | HAR | 120.1° | 119.7° |
| CAS | CAR | HAR | 120.1° | 119.7° |
| CAR | CAS | CAN | 119.5° | 120.0° |
| CAR | CAS | HAS | 120.3° | 120.0° |
| CAN | CAS | HAS | 120.3° | 120.0° |
| CAS | CAN | NAO | 133.3° | 133.1° |
| CAN | NAO | CAL | 111.1° | 110.3° |
| CAN | NAO | HAO | 124.4° | 124.9° |
| CAL | NAO | HAO | 124.5° | 124.9° |
| NAO | CAL | HAL | 125.7° | 125.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CBB | NBC | HBC1 | HBC2 | 137.7° | 113.8° |
| NBC | CBB | CBA | HBB1 | 125.3° | 120.0° |
| NBC | CBB | CBA | HBB2 | 125.2° | 119.9° |
| NBC | CBB | HBB1 | HBB2 | 118.0° | 120.0° |
| NBC | CBB | CBA | CAY | 169.4° | 180.0° |
| NBC | CBB | CBA | HBA1 | 44.2° | 60.0° |
| NBC | CBB | CBA | HBA2 | 65.4° | 60.0° |
| HBC1 | NBC | CBB | CBA | 105.7° | 66.2° |
| HBC1 | NBC | CBB | HBB1 | 129.1° | 53.8° |
| HBC1 | NBC | CBB | HBB2 | 19.6° | 173.8° |
| HBC2 | NBC | CBB | CBA | 144.8° | 180.0° |
| HBC2 | NBC | CBB | HBB1 | 19.5° | 59.9° |
| HBC2 | NBC | CBB | HBB2 | 90.0° | 60.1° |
| CBA | CBB | HBB1 | HBB2 | 118.0° | 120.0° |
| CBB | CBA | CAY | HBA1 | 125.2° | 119.9° |
| CBB | CBA | CAY | HBA2 | 125.3° | 120.0° |
| CBB | CBA | HBA1 | HBA2 | 117.2° | 120.0° |
| CBB | CBA | CAY | NAH | 75.0° | 179.9° |
| CBB | CBA | CAY | HAY1 | 50.3° | 60.0° |
| CBB | CBA | CAY | HAY2 | 159.8° | 59.9° |
| HBB1 | CBB | CBA | CAY | 65.3° | 60.0° |
| HBB1 | CBB | CBA | HBA1 | 169.4° | 179.9° |
| HBB1 | CBB | CBA | HBA2 | 59.9° | 60.0° |
| HBB2 | CBB | CBA | CAY | 44.2° | 60.0° |
| HBB2 | CBB | CBA | HBA1 | 81.1° | 59.9° |
| HBB2 | CBB | CBA | HBA2 | 169.4° | 180.0° |
| CAY | CBA | HBA1 | HBA2 | 117.2° | 120.1° |
| CBA | CAY | NAH | HAY1 | 125.2° | 119.9° |
| CBA | CAY | NAH | HAY2 | 125.3° | 120.1° |
| CBA | CAY | HAY1 | HAY2 | 116.2° | 120.0° |
| CBA | CAY | NAH | CAW | 88.4° | 90.0° |
| CBA | CAY | NAH | CAE | 101.5° | 90.3° |
| HBA1 | CBA | CAY | NAH | 159.8° | 60.1° |
| HBA1 | CBA | CAY | HAY1 | 75.0° | 180.0° |
| HBA1 | CBA | CAY | HAY2 | 34.5° | 60.0° |
| HBA2 | CBA | CAY | NAH | 50.3° | 59.9° |
| HBA2 | CBA | CAY | HAY1 | 175.5° | 60.0° |
| HBA2 | CBA | CAY | HAY2 | 75.0° | 179.9° |
| NAH | CAY | HAY1 | HAY2 | 116.2° | 120.1° |
| CAY | NAH | CAW | CAE | 171.1° | 179.7° |
| CAY | NAH | CAW | CAG | 170.6° | 179.9° |
| CAY | NAH | CAW | HAW | 9.5° | 0.1° |
| CAY | NAH | CAE | CAF | 6.8° | 0.6° |
| CAY | NAH | CAE | CAD | 170.5° | 179.9° |
| HAY1 | CAY | NAH | CAW | 36.9° | 29.9° |
| HAY1 | CAY | NAH | CAE | 133.2° | 149.8° |
| HAY2 | CAY | NAH | CAW | 146.4° | 149.9° |
| HAY2 | CAY | NAH | CAE | 23.7° | 29.8° |
| NAH | CAW | CAG | HAW | 180.0° | 180.0° |
| CAW | NAH | CAE | CAF | 178.0° | 179.7° |
| CAW | NAH | CAE | CAD | 0.6° | 0.4° |
| NAH | CAW | CAG | CAD | 0.2° | 0.0° |
| NAH | CAW | CAG | CAI | 170.8° | 179.9° |
| CAE | NAH | CAW | CAG | 0.5° | 0.2° |
| CAE | NAH | CAW | HAW | 179.5° | 179.8° |
| NAH | CAE | CAF | CAD | 177.0° | 179.2° |
| NAH | CAE | CAF | CAA | 176.3° | 179.6° |
| NAH | CAE | CAF | HAF | 3.7° | 0.5° |
| NAH | CAE | CAD | CAC | 177.4° | 179.9° |
| NAH | CAE | CAD | CAG | 0.5° | 0.4° |
| CAW | CAG | CAD | CAE | 0.2° | 0.3° |
| CAW | CAG | CAD | CAC | 177.3° | 180.0° |
| CAW | CAG | CAD | CAI | 169.7° | 179.9° |
| CAW | CAG | CAI | CAT | 133.8° | 90.2° |
| CAW | CAG | CAI | CAJ | 39.6° | 90.1° |
| HAW | CAW | CAG | CAD | 179.8° | 180.0° |
| HAW | CAW | CAG | CAI | 9.2° | 0.1° |
| CAE | CAF | CAA | HAF | 180.0° | 179.9° |
| CAE | CAF | CAA | CAB | 0.4° | 0.2° |
| CAE | CAF | CAA | HAA | 179.6° | 179.8° |
| CAF | CAE | CAD | CAC | 0.4° | 0.4° |
| CAF | CAE | CAD | CAG | 178.3° | 179.8° |
| CAD | CAE | CAF | CAA | 0.7° | 0.4° |
| CAD | CAE | CAF | HAF | 179.3° | 179.7° |
| CAE | CAD | CAC | CAB | 0.3° | 0.3° |
| CAE | CAD | CAC | CAG | 177.3° | 179.7° |
| CAE | CAD | CAC | HAC | 179.7° | 179.8° |
| CAE | CAD | CAG | CAI | 169.9° | 179.9° |
| CAF | CAA | CAB | HAA | 180.0° | 180.0° |
| CAF | CAA | CAB | CAC | 0.2° | 0.0° |
| CAF | CAA | CAB | HAB | 179.8° | 180.0° |
| HAF | CAF | CAA | CAB | 179.6° | 179.9° |
| HAF | CAF | CAA | HAA | 0.4° | 0.1° |
| CAA | CAB | CAC | HAB | 180.0° | 180.0° |
| CAA | CAB | CAC | CAD | 0.6° | 0.0° |
| CAA | CAB | CAC | HAC | 179.5° | 180.0° |
| HAA | CAA | CAB | CAC | 179.8° | 180.0° |
| HAA | CAA | CAB | HAB | 0.2° | 0.1° |
| CAB | CAC | CAD | HAC | 180.0° | 180.0° |
| CAB | CAC | CAD | CAG | 177.1° | 180.0° |
| HAB | CAB | CAC | CAD | 179.5° | 179.9° |
| HAB | CAB | CAC | HAC | 0.5° | 0.0° |
| CAC | CAD | CAG | CAI | 7.6° | 0.1° |
| HAC | CAC | CAD | CAG | 2.9° | 0.1° |
| CAD | CAG | CAI | CAT | 34.8° | 89.6° |
| CAD | CAG | CAI | CAJ | 151.9° | 90.0° |
| CAG | CAI | CAT | CAJ | 174.6° | 179.7° |
| CAG | CAI | CAT | OAZ | 4.3° | 0.3° |
| CAG | CAI | CAT | NAU | 174.2° | 179.9° |
| CAG | CAI | CAJ | CAV | 173.5° | 180.0° |
| CAG | CAI | CAJ | CAK | 7.8° | 0.1° |
| CAI | CAT | OAZ | NAU | 178.2° | 179.5° |
| CAI | CAT | NAU | CAV | 0.1° | 0.4° |
| CAI | CAT | NAU | HAU | 179.9° | 179.9° |
| CAT | CAI | CAJ | CAV | 0.7° | 0.2° |
| CAT | CAI | CAJ | CAK | 178.0° | 179.8° |
| CAJ | CAI | CAT | OAZ | 178.9° | 180.0° |
| CAJ | CAI | CAT | NAU | 0.5° | 0.4° |
| CAI | CAJ | CAV | NAU | 0.6° | 0.0° |
| CAI | CAJ | CAV | OAX | 177.7° | 179.9° |
| CAI | CAJ | CAV | CAK | 178.7° | 179.9° |
| CAI | CAJ | CAK | CAM | 23.0° | 90.2° |
| CAI | CAJ | CAK | CAL | 144.5° | 90.0° |
| OAZ | CAT | NAU | CAV | 178.6° | 180.0° |
| OAZ | CAT | NAU | HAU | 1.5° | 0.3° |
| CAT | NAU | CAV | HAU | 180.0° | 179.7° |
| CAT | NAU | CAV | OAX | 178.0° | 179.7° |
| CAT | NAU | CAV | CAJ | 0.3° | 0.3° |
| NAU | CAV | OAX | CAJ | 178.0° | 179.9° |
| NAU | CAV | CAJ | CAK | 178.1° | 179.9° |
| HAU | NAU | CAV | OAX | 2.0° | 0.0° |
| HAU | NAU | CAV | CAJ | 179.7° | 180.0° |
| OAX | CAV | CAJ | CAK | 3.6° | 0.1° |
| CAV | CAJ | CAK | CAM | 155.4° | 89.7° |
| CAV | CAJ | CAK | CAL | 37.1° | 90.1° |
| CAJ | CAK | CAM | CAL | 168.5° | 179.8° |
| CAJ | CAK | CAM | CAP | 11.8° | 0.8° |
| CAJ | CAK | CAM | CAN | 167.9° | 179.8° |
| CAJ | CAK | CAL | NAO | 170.2° | 180.0° |
| CAJ | CAK | CAL | HAL | 9.8° | 0.1° |
| CAK | CAM | CAP | CAN | 179.7° | 178.9° |
| CAK | CAM | CAP | CAQ | 179.1° | 179.6° |
| CAK | CAM | CAP | HAP | 0.9° | 0.8° |
| CAK | CAM | CAN | CAS | 179.1° | 179.8° |
| CAK | CAM | CAN | NAO | 0.6° | 0.4° |
| CAM | CAK | CAL | NAO | 0.4° | 0.2° |
| CAM | CAK | CAL | HAL | 179.6° | 179.7° |
| CAL | CAK | CAM | CAP | 179.7° | 179.4° |
| CAL | CAK | CAM | CAN | 0.6° | 0.4° |
| CAK | CAL | NAO | CAN | 0.0° | 0.0° |
| CAK | CAL | NAO | HAL | 180.0° | 180.0° |
| CAK | CAL | NAO | HAO | 180.0° | 179.9° |
| CAM | CAP | CAQ | HAP | 180.0° | 179.6° |
| CAM | CAP | CAQ | CAR | 0.1° | 0.4° |
| CAM | CAP | CAQ | HAQ | 180.0° | 179.7° |
| CAP | CAM | CAN | CAS | 0.7° | 0.6° |
| CAP | CAM | CAN | NAO | 179.6° | 179.6° |
| CAN | CAM | CAP | CAQ | 0.5° | 0.7° |
| CAN | CAM | CAP | HAP | 179.4° | 179.7° |
| CAM | CAN | CAS | CAR | 0.3° | 0.3° |
| CAM | CAN | CAS | NAO | 179.6° | 179.7° |
| CAM | CAN | CAS | HAS | 179.6° | 179.7° |
| CAM | CAN | NAO | CAL | 0.4° | 0.3° |
| CAM | CAN | NAO | HAO | 179.6° | 179.7° |
| CAP | CAQ | CAR | HAQ | 180.0° | 180.0° |
| CAP | CAQ | CAR | CAS | 0.3° | 0.0° |
| CAP | CAQ | CAR | HAR | 179.8° | 179.9° |
| HAP | CAP | CAQ | CAR | 179.9° | 180.0° |
| HAP | CAP | CAQ | HAQ | 0.1° | 0.1° |
| CAQ | CAR | CAS | HAR | 180.0° | 180.0° |
| CAQ | CAR | CAS | CAN | 0.1° | 0.0° |
| CAQ | CAR | CAS | HAS | 179.9° | 180.0° |
| HAQ | CAQ | CAR | CAS | 179.7° | 180.0° |
| HAQ | CAQ | CAR | HAR | 0.3° | 0.0° |
| CAR | CAS | CAN | HAS | 180.0° | 180.0° |
| CAR | CAS | CAN | NAO | 180.0° | 180.0° |
| HAR | CAR | CAS | CAN | 179.9° | 180.0° |
| HAR | CAR | CAS | HAS | 0.1° | 0.0° |
| CAS | CAN | NAO | CAL | 179.3° | 180.0° |
| CAS | CAN | NAO | HAO | 0.7° | 0.0° |
| HAS | CAS | CAN | NAO | 0.0° | 0.0° |
| CAN | NAO | CAL | HAO | 180.0° | 179.9° |
| CAN | NAO | CAL | HAL | 180.0° | 180.0° |
| HAO | NAO | CAL | HAL | 0.0° | 0.0° |
