9KF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAN | sing | 1.53Å | 1.51Å | |
| CAN | OAO | sing | 1.45Å | 1.38Å | |
| OAO | CAP | sing | 1.34Å | 1.38Å | |
| CAB | CAU | sing | 1.53Å | 1.51Å | |
| CAP | OAC | doub | 1.21Å | 1.18Å | |
| CAP | CAU | sing | 1.51Å | 1.52Å | |
| CAU | CAT | sing | 1.51Å | 1.52Å | |
| CAL | CAT | doub | 1.38Å | 1.38Å | Aromatic |
| CAL | CAH | sing | 1.38Å | 1.38Å | Aromatic |
| CAT | CAM | sing | 1.38Å | 1.38Å | Aromatic |
| CAH | CAK | doub | 1.38Å | 1.37Å | Aromatic |
| CAM | CAS | doub | 1.40Å | 1.39Å | Aromatic |
| CAK | CAS | sing | 1.40Å | 1.38Å | Aromatic |
| CAS | CAQ | sing | 1.48Å | 1.53Å | |
| CAQ | OAD | doub | 1.22Å | 1.40Å | |
| CAQ | CAR | sing | 1.48Å | 1.53Å | |
| CAR | CAJ | doub | 1.40Å | 1.39Å | Aromatic |
| CAR | CAI | sing | 1.40Å | 1.39Å | Aromatic |
| CAJ | CAG | sing | 1.38Å | 1.38Å | Aromatic |
| CAI | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAE | doub | 1.38Å | 1.38Å | Aromatic |
| CAF | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAE | H7 | sing | 1.08Å | 1.08Å | |
| CAF | H8 | sing | 1.08Å | 1.08Å | |
| CAG | H9 | sing | 1.08Å | 1.08Å | |
| CAH | H10 | sing | 1.08Å | 1.08Å | |
| CAI | H11 | sing | 1.08Å | 1.08Å | |
| CAJ | H12 | sing | 1.08Å | 1.08Å | |
| CAK | H13 | sing | 1.08Å | 1.08Å | |
| CAL | H14 | sing | 1.08Å | 1.08Å | |
| CAM | H15 | sing | 1.08Å | 1.08Å | |
| CAN | H16 | sing | 1.09Å | 1.10Å | |
| CAN | H17 | sing | 1.09Å | 1.10Å | |
| CAU | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAN | OAO | 108.0° | 109.5° |
| CAN | CAA | H1 | 109.5° | 109.5° |
| CAN | CAA | H2 | 109.5° | 109.5° |
| CAN | CAA | H3 | 109.5° | 109.5° |
| CAA | CAN | H16 | 109.9° | 109.5° |
| CAA | CAN | H17 | 109.8° | 109.5° |
| CAN | OAO | CAP | 109.5° | 117.0° |
| OAO | CAN | H16 | 109.8° | 109.4° |
| OAO | CAN | H17 | 109.9° | 109.5° |
| OAO | CAP | OAC | 118.4° | 120.0° |
| OAO | CAP | CAU | 120.1° | 120.0° |
| CAB | CAU | CAP | 110.0° | 109.5° |
| CAB | CAU | CAT | 106.4° | 109.5° |
| CAU | CAB | H4 | 109.5° | 109.5° |
| CAU | CAB | H5 | 109.5° | 109.4° |
| CAU | CAB | H6 | 109.4° | 109.5° |
| CAB | CAU | H19 | 109.7° | 109.5° |
| OAC | CAP | CAU | 121.5° | 120.0° |
| CAP | CAU | CAT | 111.5° | 109.5° |
| CAP | CAU | H19 | 109.6° | 109.5° |
| CAU | CAT | CAL | 116.5° | 119.9° |
| CAU | CAT | CAM | 122.9° | 119.9° |
| CAT | CAU | H19 | 109.6° | 109.4° |
| CAT | CAL | CAH | 120.4° | 120.3° |
| CAL | CAT | CAM | 120.6° | 120.2° |
| CAT | CAL | H14 | 119.8° | 119.9° |
| CAL | CAH | CAK | 119.3° | 120.1° |
| CAL | CAH | H10 | 120.4° | 120.0° |
| CAH | CAL | H14 | 119.8° | 119.8° |
| CAT | CAM | CAS | 118.9° | 119.8° |
| CAT | CAM | H15 | 120.6° | 120.1° |
| CAH | CAK | CAS | 121.0° | 119.8° |
| CAK | CAH | H10 | 120.4° | 119.9° |
| CAH | CAK | H13 | 119.5° | 120.0° |
| CAM | CAS | CAK | 119.9° | 119.7° |
| CAM | CAS | CAQ | 125.1° | 120.2° |
| CAS | CAM | H15 | 120.5° | 120.1° |
| CAK | CAS | CAQ | 114.9° | 120.1° |
| CAS | CAK | H13 | 119.5° | 120.1° |
| CAS | CAQ | OAD | 106.8° | 120.0° |
| CAS | CAQ | CAR | 119.6° | 120.0° |
| OAD | CAQ | CAR | 108.4° | 120.0° |
| CAQ | CAR | CAJ | 116.0° | 120.1° |
| CAQ | CAR | CAI | 124.6° | 120.1° |
| CAJ | CAR | CAI | 119.5° | 119.7° |
| CAR | CAJ | CAG | 120.4° | 119.9° |
| CAR | CAJ | H12 | 119.8° | 120.1° |
| CAR | CAI | CAF | 120.2° | 119.8° |
| CAR | CAI | H11 | 119.9° | 120.1° |
| CAJ | CAG | CAE | 119.9° | 120.2° |
| CAJ | CAG | H9 | 120.0° | 119.9° |
| CAG | CAJ | H12 | 119.8° | 120.1° |
| CAI | CAF | CAE | 120.1° | 120.2° |
| CAI | CAF | H8 | 120.0° | 119.9° |
| CAF | CAI | H11 | 119.9° | 120.1° |
| CAG | CAE | CAF | 120.0° | 120.3° |
| CAG | CAE | H7 | 120.0° | 119.9° |
| CAE | CAG | H9 | 120.0° | 119.9° |
| CAF | CAE | H7 | 120.0° | 119.9° |
| CAE | CAF | H8 | 119.9° | 119.9° |
| H1 | CAA | H2 | 109.4° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAB | H5 | 109.4° | 109.5° |
| H4 | CAB | H6 | 109.5° | 109.5° |
| H5 | CAB | H6 | 109.5° | 109.4° |
| H16 | CAN | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAN | OAO | H16 | 119.8° | 120.0° |
| CAA | CAN | OAO | H17 | 119.7° | 120.0° |
| CAA | CAN | OAO | CAP | 116.8° | 180.0° |
| CAN | CAA | H1 | H2 | 120.0° | 120.0° |
| CAN | CAA | H1 | H3 | 120.0° | 120.0° |
| CAN | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAN | H16 | H17 | 120.7° | 120.0° |
| CAN | OAO | CAP | OAC | 75.0° | 0.0° |
| CAN | OAO | CAP | CAU | 103.8° | 180.0° |
| OAO | CAN | CAA | H1 | 180.0° | 60.0° |
| OAO | CAN | CAA | H2 | 60.0° | 180.0° |
| OAO | CAN | CAA | H3 | 60.0° | 60.0° |
| OAO | CAN | H16 | H17 | 120.7° | 120.0° |
| OAO | CAP | CAU | CAB | 78.0° | 60.0° |
| OAO | CAP | OAC | CAU | 178.7° | 180.0° |
| OAO | CAP | CAU | CAT | 39.7° | 180.0° |
| CAP | OAO | CAN | H16 | 3.0° | 60.0° |
| CAP | OAO | CAN | H17 | 123.4° | 59.9° |
| OAO | CAP | CAU | H19 | 161.2° | 60.0° |
| CAB | CAU | CAP | OAC | 100.7° | 120.0° |
| CAB | CAU | CAP | CAT | 117.7° | 120.0° |
| CAB | CAU | CAP | H19 | 120.7° | 120.0° |
| CAB | CAU | CAT | H19 | 118.5° | 120.0° |
| CAB | CAU | CAT | CAL | 30.1° | 60.0° |
| CAB | CAU | CAT | CAM | 150.1° | 119.5° |
| CAU | CAB | H4 | H5 | 120.0° | 120.0° |
| CAU | CAB | H4 | H6 | 120.0° | 120.0° |
| CAU | CAB | H5 | H6 | 120.0° | 120.0° |
| OAC | CAP | CAU | CAT | 141.6° | 0.0° |
| OAC | CAP | CAU | H19 | 20.1° | 120.0° |
| CAP | CAU | CAT | H19 | 121.5° | 120.0° |
| CAP | CAU | CAT | CAL | 150.0° | 60.0° |
| CAP | CAU | CAT | CAM | 30.2° | 120.5° |
| CAP | CAU | CAB | H4 | 180.0° | 60.0° |
| CAP | CAU | CAB | H5 | 60.0° | 60.0° |
| CAP | CAU | CAB | H6 | 60.0° | 180.0° |
| CAU | CAT | CAL | CAM | 179.8° | 179.5° |
| CAU | CAT | CAL | CAH | 179.8° | 180.0° |
| CAU | CAT | CAM | CAS | 178.9° | 179.7° |
| CAT | CAU | CAB | H4 | 59.2° | 180.0° |
| CAT | CAU | CAB | H5 | 179.1° | 60.0° |
| CAT | CAU | CAB | H6 | 60.9° | 60.0° |
| CAU | CAT | CAL | H14 | 0.2° | 0.0° |
| CAU | CAT | CAM | H15 | 1.1° | 0.2° |
| CAT | CAL | CAH | H14 | 180.0° | 180.0° |
| CAT | CAL | CAH | CAK | 0.4° | 0.0° |
| CAL | CAT | CAM | CAS | 0.8° | 0.8° |
| CAT | CAL | CAH | H10 | 179.6° | 179.7° |
| CAL | CAT | CAM | H15 | 179.2° | 179.7° |
| CAL | CAT | CAU | H19 | 88.5° | 180.0° |
| CAH | CAL | CAT | CAM | 0.0° | 0.5° |
| CAL | CAH | CAK | H10 | 180.0° | 179.8° |
| CAL | CAH | CAK | CAS | 0.1° | 0.2° |
| CAL | CAH | CAK | H13 | 179.8° | 179.8° |
| CAT | CAM | CAS | H15 | 180.0° | 179.5° |
| CAT | CAM | CAS | CAK | 1.3° | 0.5° |
| CAT | CAM | CAS | CAQ | 178.6° | 179.6° |
| CAM | CAT | CAL | H14 | 180.0° | 179.5° |
| CAM | CAT | CAU | H19 | 91.3° | 0.5° |
| CAH | CAK | CAS | CAM | 1.0° | 0.0° |
| CAH | CAK | CAS | H13 | 180.0° | 179.9° |
| CAH | CAK | CAS | CAQ | 178.5° | 179.9° |
| CAK | CAH | CAL | H14 | 179.6° | 180.0° |
| CAM | CAS | CAK | CAQ | 177.5° | 179.9° |
| CAM | CAS | CAQ | OAD | 160.7° | 172.4° |
| CAM | CAS | CAQ | CAR | 37.2° | 7.6° |
| CAM | CAS | CAK | H13 | 179.0° | 179.9° |
| CAK | CAS | CAQ | OAD | 21.9° | 7.5° |
| CAK | CAS | CAQ | CAR | 145.4° | 172.5° |
| CAS | CAK | CAH | H10 | 179.8° | 180.0° |
| CAK | CAS | CAM | H15 | 178.7° | 180.0° |
| CAS | CAQ | OAD | CAR | 130.2° | 180.0° |
| CAS | CAQ | CAR | CAJ | 179.9° | 146.2° |
| CAS | CAQ | CAR | CAI | 0.3° | 34.1° |
| CAQ | CAS | CAK | H13 | 1.4° | 0.0° |
| CAQ | CAS | CAM | H15 | 1.4° | 0.1° |
| OAD | CAQ | CAR | CAJ | 57.1° | 33.8° |
| OAD | CAQ | CAR | CAI | 123.0° | 145.9° |
| CAQ | CAR | CAJ | CAI | 179.8° | 179.7° |
| CAQ | CAR | CAJ | CAG | 179.9° | 180.0° |
| CAQ | CAR | CAI | CAF | 179.6° | 180.0° |
| CAQ | CAR | CAI | H11 | 0.4° | 0.0° |
| CAQ | CAR | CAJ | H12 | 0.1° | 0.0° |
| CAR | CAJ | CAG | H12 | 180.0° | 180.0° |
| CAJ | CAR | CAI | CAF | 0.2° | 0.3° |
| CAR | CAJ | CAG | CAE | 0.2° | 0.1° |
| CAR | CAJ | CAG | H9 | 179.8° | 180.0° |
| CAJ | CAR | CAI | H11 | 179.8° | 179.7° |
| CAI | CAR | CAJ | CAG | 0.1° | 0.3° |
| CAR | CAI | CAF | H11 | 180.0° | 180.0° |
| CAR | CAI | CAF | CAE | 0.4° | 0.0° |
| CAR | CAI | CAF | H8 | 179.6° | 179.9° |
| CAI | CAR | CAJ | H12 | 179.9° | 179.7° |
| CAJ | CAG | CAE | H9 | 180.0° | 179.9° |
| CAJ | CAG | CAE | CAF | 0.0° | 0.2° |
| CAJ | CAG | CAE | H7 | 180.0° | 180.0° |
| CAI | CAF | CAE | CAG | 0.3° | 0.3° |
| CAI | CAF | CAE | H8 | 180.0° | 179.9° |
| CAI | CAF | CAE | H7 | 179.7° | 180.0° |
| CAG | CAE | CAF | H7 | 180.0° | 179.8° |
| CAG | CAE | CAF | H8 | 179.8° | 179.8° |
| CAE | CAG | CAJ | H12 | 179.8° | 180.0° |
| CAF | CAE | CAG | H9 | 179.9° | 179.7° |
| CAE | CAF | CAI | H11 | 179.6° | 180.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAN | H16 | 60.2° | 180.0° |
| H1 | CAA | CAN | H17 | 60.2° | 60.0° |
| H2 | CAA | CAN | H16 | 59.7° | 60.0° |
| H2 | CAA | CAN | H17 | 179.8° | 60.0° |
| H3 | CAA | CAN | H16 | 179.7° | 60.0° |
| H3 | CAA | CAN | H17 | 59.8° | 180.0° |
| H4 | CAB | H5 | H6 | 120.0° | 120.0° |
| H4 | CAB | CAU | H19 | 59.3° | 60.0° |
| H5 | CAB | CAU | H19 | 60.6° | 180.0° |
| H6 | CAB | CAU | H19 | 179.4° | 60.0° |
| H7 | CAE | CAF | H8 | 0.2° | 0.1° |
| H7 | CAE | CAG | H9 | 0.1° | 0.1° |
| H8 | CAF | CAI | H11 | 0.4° | 0.1° |
| H9 | CAG | CAJ | H12 | 0.3° | 0.0° |
| H10 | CAH | CAK | H13 | 0.2° | 0.1° |
| H10 | CAH | CAL | H14 | 0.4° | 0.2° |
