9BF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAL | CAK | doub | 1.21Å | 1.23Å | |
| CAJ | CAK | sing | 1.51Å | 1.52Å | |
| CAJ | CAI | sing | 1.53Å | 1.51Å | |
| CAK | CAM | sing | 1.51Å | 1.54Å | |
| CAI | CAG | sing | 1.51Å | 1.54Å | |
| CAN | CAG | doub | 1.34Å | 1.35Å | Aromatic |
| CAN | NAH | sing | 1.37Å | 1.33Å | Aromatic |
| CAG | CAE | sing | 1.46Å | 1.36Å | Aromatic |
| CAE | CAF | doub | 1.40Å | 1.35Å | Aromatic |
| CAE | CAD | sing | 1.41Å | 1.35Å | Aromatic |
| NAH | CAD | sing | 1.38Å | 1.36Å | Aromatic |
| CAF | CAA | sing | 1.37Å | 1.40Å | Aromatic |
| CAD | CAC | doub | 1.39Å | 1.35Å | Aromatic |
| CAA | CAB | doub | 1.39Å | 1.41Å | Aromatic |
| CAC | CAB | sing | 1.38Å | 1.40Å | Aromatic |
| CAM | H1 | sing | 1.09Å | 1.10Å | |
| CAM | H2 | sing | 1.09Å | 1.10Å | |
| CAM | H3 | sing | 1.09Å | 1.10Å | |
| CAJ | H4 | sing | 1.09Å | 1.10Å | |
| CAJ | H5 | sing | 1.09Å | 1.10Å | |
| CAI | H6 | sing | 1.09Å | 1.10Å | |
| CAI | H7 | sing | 1.09Å | 1.10Å | |
| CAF | H8 | sing | 1.08Å | 1.08Å | |
| CAA | H9 | sing | 1.08Å | 1.08Å | |
| CAB | H10 | sing | 1.08Å | 1.08Å | |
| CAC | H11 | sing | 1.08Å | 1.08Å | |
| NAH | H12 | sing | 0.97Å | 1.00Å | |
| CAN | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAL | CAK | CAJ | 118.4° | 120.0° |
| OAL | CAK | CAM | 122.0° | 120.0° |
| CAK | CAJ | CAI | 114.2° | 109.5° |
| CAJ | CAK | CAM | 117.5° | 120.0° |
| CAK | CAJ | H4 | 108.3° | 109.4° |
| CAK | CAJ | H5 | 108.2° | 109.5° |
| CAJ | CAI | CAG | 114.6° | 109.5° |
| CAI | CAJ | H4 | 108.3° | 109.4° |
| CAI | CAJ | H5 | 108.3° | 109.5° |
| CAJ | CAI | H6 | 108.1° | 109.4° |
| CAJ | CAI | H7 | 108.2° | 109.5° |
| CAK | CAM | H1 | 109.5° | 109.5° |
| CAK | CAM | H2 | 109.4° | 109.5° |
| CAK | CAM | H3 | 109.4° | 109.5° |
| CAI | CAG | CAN | 126.6° | 126.5° |
| CAI | CAG | CAE | 123.1° | 126.5° |
| CAG | CAI | H6 | 108.2° | 109.5° |
| CAG | CAI | H7 | 108.2° | 109.4° |
| CAG | CAN | NAH | 105.5° | 110.0° |
| CAN | CAG | CAE | 110.1° | 107.0° |
| CAG | CAN | H13 | 127.3° | 125.0° |
| CAN | NAH | CAD | 110.5° | 109.9° |
| CAN | NAH | H12 | 124.7° | 125.1° |
| NAH | CAN | H13 | 127.3° | 125.0° |
| CAG | CAE | CAF | 132.3° | 134.0° |
| CAG | CAE | CAD | 106.6° | 106.1° |
| CAF | CAE | CAD | 120.6° | 119.9° |
| CAE | CAF | CAA | 120.7° | 119.8° |
| CAE | CAF | H8 | 119.6° | 120.1° |
| CAE | CAD | NAH | 106.6° | 107.1° |
| CAE | CAD | CAC | 121.1° | 119.4° |
| NAH | CAD | CAC | 131.8° | 133.5° |
| CAD | NAH | H12 | 124.8° | 125.0° |
| CAF | CAA | CAB | 118.4° | 120.5° |
| CAA | CAF | H8 | 119.7° | 120.1° |
| CAF | CAA | H9 | 120.8° | 119.7° |
| CAD | CAC | CAB | 120.7° | 119.8° |
| CAD | CAC | H11 | 119.6° | 120.1° |
| CAA | CAB | CAC | 118.1° | 120.6° |
| CAB | CAA | H9 | 120.8° | 119.7° |
| CAA | CAB | H10 | 120.9° | 119.7° |
| CAC | CAB | H10 | 120.9° | 119.7° |
| CAB | CAC | H11 | 119.6° | 120.1° |
| H1 | CAM | H2 | 109.5° | 109.5° |
| H1 | CAM | H3 | 109.4° | 109.4° |
| H2 | CAM | H3 | 109.5° | 109.4° |
| H4 | CAJ | H5 | 109.4° | 109.5° |
| H6 | CAI | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAL | CAK | CAJ | CAM | 164.0° | 179.9° |
| OAL | CAK | CAJ | CAI | 127.5° | 0.1° |
| OAL | CAK | CAM | H1 | 0.0° | 89.9° |
| OAL | CAK | CAM | H2 | 120.0° | 150.0° |
| OAL | CAK | CAM | H3 | 120.0° | 30.1° |
| OAL | CAK | CAJ | H4 | 6.7° | 120.0° |
| OAL | CAK | CAJ | H5 | 111.8° | 119.9° |
| CAK | CAJ | CAI | H4 | 120.7° | 119.9° |
| CAK | CAJ | CAI | H5 | 120.7° | 120.0° |
| CAK | CAJ | CAI | CAG | 59.2° | 180.0° |
| CAJ | CAK | CAM | H1 | 163.4° | 90.0° |
| CAJ | CAK | CAM | H2 | 43.3° | 30.1° |
| CAJ | CAK | CAM | H3 | 76.7° | 150.0° |
| CAK | CAJ | H4 | H5 | 117.8° | 120.0° |
| CAK | CAJ | CAI | H6 | 179.9° | 60.0° |
| CAK | CAJ | CAI | H7 | 61.6° | 60.0° |
| CAI | CAJ | CAK | CAM | 36.5° | 179.9° |
| CAJ | CAI | CAG | H6 | 120.7° | 120.0° |
| CAJ | CAI | CAG | H7 | 120.8° | 120.0° |
| CAJ | CAI | CAG | CAN | 19.2° | 95.3° |
| CAJ | CAI | CAG | CAE | 164.7° | 85.0° |
| CAI | CAJ | H4 | H5 | 117.8° | 120.0° |
| CAJ | CAI | H6 | H7 | 117.7° | 120.0° |
| CAK | CAM | H1 | H2 | 120.0° | 120.1° |
| CAK | CAM | H1 | H3 | 120.0° | 120.0° |
| CAK | CAM | H2 | H3 | 120.0° | 120.0° |
| CAM | CAK | CAJ | H4 | 157.2° | 60.1° |
| CAM | CAK | CAJ | H5 | 84.2° | 59.9° |
| CAI | CAG | CAN | CAE | 176.5° | 179.8° |
| CAI | CAG | CAN | NAH | 177.1° | 179.8° |
| CAI | CAG | CAE | CAF | 6.7° | 0.0° |
| CAI | CAG | CAE | CAD | 177.9° | 180.0° |
| CAG | CAI | CAJ | H4 | 61.6° | 60.0° |
| CAG | CAI | CAJ | H5 | 179.9° | 60.0° |
| CAG | CAI | H6 | H7 | 117.6° | 120.0° |
| CAI | CAG | CAN | H13 | 2.9° | 0.0° |
| CAG | CAN | NAH | H13 | 180.0° | 179.9° |
| CAN | CAG | CAE | CAF | 176.7° | 179.7° |
| CAN | CAG | CAE | CAD | 5.4° | 0.3° |
| CAG | CAN | NAH | CAD | 4.6° | 0.4° |
| CAN | CAG | CAI | H6 | 101.5° | 144.7° |
| CAN | CAG | CAI | H7 | 140.0° | 24.7° |
| CAG | CAN | NAH | H12 | 175.4° | 179.8° |
| NAH | CAN | CAG | CAE | 0.6° | 0.4° |
| CAN | NAH | CAD | CAE | 7.9° | 0.2° |
| CAN | NAH | CAD | H12 | 180.0° | 179.8° |
| CAN | NAH | CAD | CAC | 179.2° | 179.7° |
| CAG | CAE | CAF | CAD | 170.3° | 180.0° |
| CAG | CAE | CAD | NAH | 7.9° | 0.0° |
| CAG | CAE | CAF | CAA | 177.8° | 180.0° |
| CAG | CAE | CAD | CAC | 179.7° | 180.0° |
| CAE | CAG | CAI | H6 | 74.6° | 35.0° |
| CAE | CAG | CAI | H7 | 43.9° | 155.0° |
| CAG | CAE | CAF | H8 | 2.3° | 0.1° |
| CAE | CAG | CAN | H13 | 179.5° | 179.7° |
| CAF | CAE | CAD | NAH | 179.6° | 180.0° |
| CAE | CAF | CAA | H8 | 180.0° | 179.9° |
| CAF | CAE | CAD | CAC | 7.2° | 0.0° |
| CAE | CAF | CAA | CAB | 4.6° | 0.0° |
| CAE | CAF | CAA | H9 | 175.4° | 180.0° |
| CAE | CAD | NAH | CAC | 171.3° | 179.9° |
| CAD | CAE | CAF | CAA | 7.5° | 0.0° |
| CAE | CAD | CAC | CAB | 4.0° | 0.0° |
| CAD | CAE | CAF | H8 | 172.6° | 179.9° |
| CAE | CAD | CAC | H11 | 175.9° | 179.9° |
| CAE | CAD | NAH | H12 | 172.1° | 180.0° |
| NAH | CAD | CAC | CAB | 174.2° | 180.0° |
| NAH | CAD | CAC | H11 | 5.7° | 0.1° |
| CAD | NAH | CAN | H13 | 175.4° | 179.7° |
| CAF | CAA | CAB | H9 | 180.0° | 180.0° |
| CAF | CAA | CAB | CAC | 1.5° | 0.0° |
| CAF | CAA | CAB | H10 | 178.5° | 180.0° |
| CAD | CAC | CAB | CAA | 1.3° | 0.0° |
| CAD | CAC | CAB | H11 | 180.0° | 179.9° |
| CAD | CAC | CAB | H10 | 178.8° | 180.0° |
| CAC | CAD | NAH | H12 | 0.8° | 0.1° |
| CAA | CAB | CAC | H10 | 180.0° | 180.0° |
| CAB | CAA | CAF | H8 | 175.4° | 179.9° |
| CAA | CAB | CAC | H11 | 178.7° | 180.0° |
| CAC | CAB | CAA | H9 | 178.5° | 180.0° |
| H1 | CAM | H2 | H3 | 120.0° | 119.9° |
| H4 | CAJ | CAI | H6 | 59.2° | 180.0° |
| H4 | CAJ | CAI | H7 | 177.7° | 60.0° |
| H5 | CAJ | CAI | H6 | 59.4° | 60.0° |
| H5 | CAJ | CAI | H7 | 59.1° | 180.0° |
| H8 | CAF | CAA | H9 | 4.6° | 0.1° |
| H9 | CAA | CAB | H10 | 1.5° | 0.0° |
| H10 | CAB | CAC | H11 | 1.3° | 0.0° |
| H12 | NAH | CAN | H13 | 4.6° | 0.1° |
