BFB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAE | CAU | doub | 1.23Å | 1.21Å | |
| CAU | CAZ | sing | 1.52Å | 1.49Å | |
| CAU | NAA | sing | 1.38Å | 1.33Å | |
| NAA | HAA1 | sing | 1.01Å | 1.00Å | |
| NAA | HAA2 | sing | 1.02Å | 1.00Å | |
| CAZ | CAO | sing | 1.54Å | 1.52Å | |
| CAZ | NAS | sing | 1.46Å | 1.48Å | |
| CAZ | HAZ | sing | 1.10Å | 1.10Å | |
| CAO | CAM | sing | 1.54Å | 1.52Å | |
| CAO | HAO1 | sing | 1.10Å | 1.10Å | |
| CAO | HAO2 | sing | 1.10Å | 1.10Å | |
| CAM | CAN | sing | 1.53Å | 1.53Å | |
| CAM | HAM1 | sing | 1.10Å | 1.10Å | |
| CAM | HAM2 | sing | 1.10Å | 1.10Å | |
| CAN | NAR | sing | 1.44Å | 1.46Å | |
| CAN | HAN1 | sing | 1.10Å | 1.10Å | |
| CAN | HAN2 | sing | 1.09Å | 1.10Å | |
| NAR | CAV | sing | 1.38Å | 1.34Å | |
| NAR | HNAR | sing | 1.02Å | 1.00Å | |
| CAV | NAC | doub | 1.30Å | 1.33Å | |
| CAV | CAP | sing | 1.51Å | 1.50Å | |
| CAP | HAP1 | sing | 1.09Å | 1.10Å | |
| CAP | HAP2 | sing | 1.09Å | 1.10Å | |
| CAP | HAP3 | sing | 1.09Å | 1.10Å | |
| NAC | HNAC | sing | 1.03Å | 1.00Å | |
| NAS | CAW | sing | 1.38Å | 1.34Å | |
| NAS | HNAS | sing | 1.01Å | 1.00Å | |
| CAW | OAF | doub | 1.23Å | 1.22Å | |
| CAW | CAX | sing | 1.49Å | 1.51Å | |
| CAX | CAL | doub | 1.38Å | 1.41Å | Aromatic |
| CAX | CAK | sing | 1.38Å | 1.40Å | Aromatic |
| CAK | CAI | doub | 1.39Å | 1.40Å | Aromatic |
| CAK | HAK | sing | 1.09Å | 1.08Å | |
| CAL | CAJ | sing | 1.39Å | 1.40Å | Aromatic |
| CAL | HAL | sing | 1.09Å | 1.08Å | |
| CAJ | CAH | doub | 1.40Å | 1.39Å | Aromatic |
| CAJ | HAJ | sing | 1.09Å | 1.08Å | |
| CAH | CAI | sing | 1.39Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.09Å | 1.08Å | |
| CAI | HAI | sing | 1.09Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAE | CAU | CAZ | 116.9° | 123.5° |
| OAE | CAU | NAA | 123.4° | 123.4° |
| CAZ | CAU | NAA | 119.7° | 113.1° |
| CAU | CAZ | CAO | 110.5° | 112.3° |
| CAU | CAZ | NAS | 114.5° | 105.8° |
| CAU | CAZ | HAZ | 104.3° | 110.4° |
| CAU | NAA | HAA1 | 109.8° | 118.7° |
| CAU | NAA | HAA2 | 125.1° | 122.5° |
| HAA1 | NAA | HAA2 | 125.1° | 118.8° |
| CAO | CAZ | NAS | 106.3° | 109.3° |
| CAO | CAZ | HAZ | 112.8° | 109.7° |
| CAZ | CAO | CAM | 117.4° | 112.0° |
| CAZ | CAO | HAO1 | 106.9° | 109.1° |
| CAZ | CAO | HAO2 | 105.1° | 110.6° |
| NAS | CAZ | HAZ | 108.6° | 109.3° |
| CAZ | NAS | CAW | 124.7° | 121.8° |
| CAZ | NAS | HNAS | 117.6° | 116.1° |
| CAM | CAO | HAO1 | 106.9° | 109.0° |
| CAM | CAO | HAO2 | 105.1° | 109.3° |
| CAO | CAM | CAN | 117.3° | 112.6° |
| CAO | CAM | HAM1 | 106.9° | 109.4° |
| CAO | CAM | HAM2 | 105.2° | 109.5° |
| HAO1 | CAO | HAO2 | 115.9° | 106.8° |
| CAN | CAM | HAM1 | 107.0° | 109.8° |
| CAN | CAM | HAM2 | 105.1° | 108.2° |
| CAM | CAN | NAR | 101.1° | 110.8° |
| CAM | CAN | HAN1 | 112.4° | 109.4° |
| CAM | CAN | HAN2 | 114.1° | 110.7° |
| HAM1 | CAM | HAM2 | 115.8° | 107.1° |
| NAR | CAN | HAN1 | 112.4° | 108.7° |
| NAR | CAN | HAN2 | 114.1° | 109.7° |
| CAN | NAR | CAV | 144.3° | 124.2° |
| CAN | NAR | HNAR | 107.8° | 116.3° |
| HAN1 | CAN | HAN2 | 103.2° | 107.5° |
| CAV | NAR | HNAR | 107.9° | 119.4° |
| NAR | CAV | NAC | 131.8° | 125.1° |
| NAR | CAV | CAP | 103.6° | 116.8° |
| NAC | CAV | CAP | 124.6° | 118.1° |
| CAV | NAC | HNAC | 113.6° | 110.5° |
| CAV | CAP | HAP1 | 109.5° | 109.1° |
| CAV | CAP | HAP2 | 109.5° | 111.3° |
| CAV | CAP | HAP3 | 109.5° | 109.6° |
| HAP1 | CAP | HAP2 | 109.5° | 109.0° |
| HAP1 | CAP | HAP3 | 109.4° | 109.0° |
| HAP2 | CAP | HAP3 | 109.5° | 108.8° |
| CAW | NAS | HNAS | 117.6° | 122.0° |
| NAS | CAW | OAF | 121.4° | 125.6° |
| NAS | CAW | CAX | 119.2° | 115.2° |
| OAF | CAW | CAX | 119.4° | 119.2° |
| CAW | CAX | CAL | 120.6° | 118.8° |
| CAW | CAX | CAK | 121.2° | 118.9° |
| CAL | CAX | CAK | 118.2° | 122.3° |
| CAX | CAL | CAJ | 120.6° | 118.9° |
| CAX | CAL | HAL | 119.7° | 121.8° |
| CAX | CAK | CAI | 121.2° | 118.9° |
| CAX | CAK | HAK | 119.4° | 121.7° |
| CAI | CAK | HAK | 119.4° | 119.4° |
| CAK | CAI | CAH | 119.6° | 120.0° |
| CAK | CAI | HAI | 120.2° | 120.0° |
| CAJ | CAL | HAL | 119.7° | 119.4° |
| CAL | CAJ | CAH | 120.1° | 120.0° |
| CAL | CAJ | HAJ | 120.0° | 120.0° |
| CAH | CAJ | HAJ | 119.9° | 120.0° |
| CAJ | CAH | CAI | 120.3° | 120.0° |
| CAJ | CAH | HAH | 119.9° | 120.0° |
| CAI | CAH | HAH | 119.9° | 120.0° |
| CAH | CAI | HAI | 120.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAE | CAU | CAZ | NAA | 179.5° | 178.7° |
| OAE | CAU | NAA | HAA1 | 0.3° | 0.9° |
| OAE | CAU | NAA | HAA2 | 179.7° | 178.9° |
| OAE | CAU | CAZ | CAO | 100.4° | 87.3° |
| OAE | CAU | CAZ | NAS | 139.7° | 31.8° |
| OAE | CAU | CAZ | HAZ | 21.1° | 150.0° |
| CAZ | CAU | NAA | HAA1 | 179.7° | 179.6° |
| CAZ | CAU | NAA | HAA2 | 0.2° | 0.2° |
| CAU | CAZ | CAO | NAS | 124.8° | 117.1° |
| CAU | CAZ | CAO | HAZ | 116.3° | 123.1° |
| CAU | CAZ | NAS | HAZ | 116.1° | 118.8° |
| CAU | CAZ | CAO | CAM | 29.9° | 179.3° |
| CAU | CAZ | CAO | HAO1 | 149.9° | 60.0° |
| CAU | CAZ | CAO | HAO2 | 86.4° | 57.1° |
| CAU | CAZ | NAS | CAW | 52.9° | 88.8° |
| CAU | CAZ | NAS | HNAS | 127.2° | 95.2° |
| CAU | NAA | HAA1 | HAA2 | 180.0° | 179.8° |
| NAA | CAU | CAZ | CAO | 79.1° | 91.4° |
| NAA | CAU | CAZ | NAS | 40.8° | 149.5° |
| NAA | CAU | CAZ | HAZ | 159.4° | 31.3° |
| CAO | CAZ | NAS | HAZ | 121.6° | 120.1° |
| CAZ | CAO | CAM | HAO1 | 120.0° | 120.8° |
| CAZ | CAO | CAM | HAO2 | 116.3° | 122.9° |
| CAZ | CAO | HAO1 | HAO2 | 116.7° | 119.5° |
| CAZ | CAO | CAM | CAN | 78.4° | 179.2° |
| CAZ | CAO | CAM | HAM1 | 41.6° | 58.3° |
| CAZ | CAO | CAM | HAM2 | 165.2° | 58.8° |
| CAO | CAZ | NAS | CAW | 175.1° | 150.1° |
| CAO | CAZ | NAS | HNAS | 4.9° | 25.8° |
| NAS | CAZ | CAO | CAM | 154.7° | 62.2° |
| NAS | CAZ | CAO | HAO1 | 85.3° | 177.0° |
| NAS | CAZ | CAO | HAO2 | 38.3° | 59.9° |
| CAZ | NAS | CAW | HNAS | 180.0° | 175.7° |
| CAZ | NAS | CAW | OAF | 0.6° | 0.0° |
| CAZ | NAS | CAW | CAX | 179.3° | 178.9° |
| HAZ | CAZ | CAO | CAM | 86.4° | 57.6° |
| HAZ | CAZ | CAO | HAO1 | 33.6° | 63.1° |
| HAZ | CAZ | CAO | HAO2 | 157.3° | 179.8° |
| HAZ | CAZ | NAS | CAW | 63.2° | 30.0° |
| HAZ | CAZ | NAS | HNAS | 116.8° | 145.9° |
| CAM | CAO | HAO1 | HAO2 | 116.8° | 117.9° |
| CAO | CAM | CAN | HAM1 | 120.0° | 122.3° |
| CAO | CAM | CAN | HAM2 | 116.4° | 121.2° |
| CAO | CAM | HAM1 | HAM2 | 116.8° | 118.6° |
| CAO | CAM | CAN | NAR | 128.3° | 179.8° |
| CAO | CAM | CAN | HAN1 | 8.3° | 60.0° |
| CAO | CAM | CAN | HAN2 | 108.7° | 58.3° |
| HAO1 | CAO | CAM | CAN | 41.5° | 60.0° |
| HAO1 | CAO | CAM | HAM1 | 161.5° | 62.5° |
| HAO1 | CAO | CAM | HAM2 | 74.8° | 179.6° |
| HAO2 | CAO | CAM | CAN | 165.2° | 56.3° |
| HAO2 | CAO | CAM | HAM1 | 74.8° | 178.8° |
| HAO2 | CAO | CAM | HAM2 | 48.9° | 64.1° |
| CAN | CAM | HAM1 | HAM2 | 116.8° | 117.2° |
| CAM | CAN | NAR | HAN1 | 120.0° | 120.2° |
| CAM | CAN | NAR | HAN2 | 122.9° | 122.5° |
| CAM | CAN | HAN1 | HAN2 | 123.4° | 120.3° |
| CAM | CAN | NAR | CAV | 149.7° | 179.8° |
| CAM | CAN | NAR | HNAR | 30.3° | 0.2° |
| HAM1 | CAM | CAN | NAR | 111.7° | 57.9° |
| HAM1 | CAM | CAN | HAN1 | 128.3° | 177.7° |
| HAM1 | CAM | CAN | HAN2 | 11.2° | 64.0° |
| HAM2 | CAM | CAN | NAR | 12.0° | 58.6° |
| HAM2 | CAM | CAN | HAN1 | 108.0° | 61.2° |
| HAM2 | CAM | CAN | HAN2 | 134.9° | 179.5° |
| NAR | CAN | HAN1 | HAN2 | 123.4° | 118.6° |
| CAN | NAR | CAV | HNAR | 180.0° | 180.0° |
| CAN | NAR | CAV | NAC | 4.4° | 0.6° |
| CAN | NAR | CAV | CAP | 179.1° | 179.9° |
| HAN1 | CAN | NAR | CAV | 90.3° | 60.0° |
| HAN1 | CAN | NAR | HNAR | 89.7° | 120.1° |
| HAN2 | CAN | NAR | CAV | 26.8° | 57.3° |
| HAN2 | CAN | NAR | HNAR | 153.2° | 122.7° |
| NAR | CAV | NAC | CAP | 175.9° | 179.4° |
| NAR | CAV | CAP | HAP1 | 169.9° | 111.6° |
| NAR | CAV | CAP | HAP2 | 49.9° | 8.7° |
| NAR | CAV | CAP | HAP3 | 70.1° | 129.1° |
| NAR | CAV | NAC | HNAC | 0.0° | 0.6° |
| HNAR | NAR | CAV | NAC | 175.7° | 179.4° |
| HNAR | NAR | CAV | CAP | 0.9° | 0.0° |
| NAC | CAV | CAP | HAP1 | 7.0° | 67.8° |
| NAC | CAV | CAP | HAP2 | 127.0° | 171.9° |
| NAC | CAV | CAP | HAP3 | 113.0° | 51.5° |
| CAV | CAP | HAP1 | HAP2 | 120.0° | 121.7° |
| CAV | CAP | HAP1 | HAP3 | 120.0° | 119.7° |
| CAV | CAP | HAP2 | HAP3 | 120.0° | 120.9° |
| CAP | CAV | NAC | HNAC | 175.9° | 180.0° |
| HAP1 | CAP | HAP2 | HAP3 | 120.0° | 118.8° |
| NAS | CAW | OAF | CAX | 180.0° | 178.8° |
| NAS | CAW | CAX | CAL | 166.3° | 153.1° |
| NAS | CAW | CAX | CAK | 13.9° | 27.0° |
| HNAS | NAS | CAW | OAF | 179.3° | 175.7° |
| HNAS | NAS | CAW | CAX | 0.7° | 3.2° |
| OAF | CAW | CAX | CAL | 13.7° | 25.9° |
| OAF | CAW | CAX | CAK | 166.1° | 154.1° |
| CAW | CAX | CAL | CAK | 179.8° | 180.0° |
| CAW | CAX | CAK | CAI | 179.9° | 180.0° |
| CAW | CAX | CAK | HAK | 0.1° | 0.0° |
| CAW | CAX | CAL | CAJ | 179.9° | 180.0° |
| CAW | CAX | CAL | HAL | 0.1° | 0.1° |
| CAL | CAX | CAK | CAI | 0.1° | 0.0° |
| CAL | CAX | CAK | HAK | 179.9° | 180.0° |
| CAX | CAL | CAJ | HAL | 180.0° | 179.9° |
| CAX | CAL | CAJ | CAH | 0.0° | 0.1° |
| CAX | CAL | CAJ | HAJ | 180.0° | 179.9° |
| CAX | CAK | CAI | HAK | 180.0° | 180.0° |
| CAK | CAX | CAL | CAJ | 0.1° | 0.1° |
| CAK | CAX | CAL | HAL | 179.9° | 180.0° |
| CAX | CAK | CAI | CAH | 0.0° | 0.1° |
| CAX | CAK | CAI | HAI | 180.0° | 180.0° |
| CAK | CAI | CAH | CAJ | 0.1° | 0.1° |
| CAK | CAI | CAH | HAI | 180.0° | 179.9° |
| CAK | CAI | CAH | HAH | 179.9° | 180.0° |
| HAK | CAK | CAI | CAH | 180.0° | 179.9° |
| HAK | CAK | CAI | HAI | 0.0° | 0.0° |
| CAL | CAJ | CAH | HAJ | 180.0° | 179.9° |
| CAL | CAJ | CAH | CAI | 0.1° | 0.1° |
| CAL | CAJ | CAH | HAH | 179.9° | 180.0° |
| HAL | CAL | CAJ | CAH | 180.0° | 180.0° |
| HAL | CAL | CAJ | HAJ | 0.0° | 0.0° |
| CAJ | CAH | CAI | HAH | 180.0° | 179.9° |
| CAJ | CAH | CAI | HAI | 179.9° | 180.0° |
| HAJ | CAJ | CAH | CAI | 179.9° | 179.9° |
| HAJ | CAJ | CAH | HAH | 0.1° | 0.1° |
| HAH | CAH | CAI | HAI | 0.1° | 0.1° |
