5FZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAY | CAX | sing | 1.53Å | 1.54Å | |
| CAX | CAD | sing | 1.51Å | 1.50Å | |
| CAD | NAC | doub | 1.30Å | 1.32Å | Aromatic |
| CAD | CAE | sing | 1.46Å | 1.35Å | Aromatic |
| NAC | OAB | sing | 1.41Å | 1.57Å | Aromatic |
| CAE | CAF | doub | 1.40Å | 1.35Å | Aromatic |
| CAE | CAA | sing | 1.41Å | 1.38Å | Aromatic |
| CAF | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| OAB | CAA | sing | 1.35Å | 1.33Å | Aromatic |
| CAA | CAI | doub | 1.39Å | 1.32Å | Aromatic |
| OAM | SAL | doub | 1.42Å | 1.53Å | |
| CAG | NAK | sing | 1.40Å | 1.32Å | |
| CAG | CAH | doub | 1.40Å | 1.40Å | Aromatic |
| NAK | SAL | sing | 1.66Å | 1.63Å | |
| CAI | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| SAL | OAN | doub | 1.42Å | 1.51Å | |
| SAL | CAO | sing | 1.76Å | 1.58Å | |
| CAH | OAJ | sing | 1.36Å | 1.37Å | |
| OAJ | CAW | sing | 1.43Å | 1.45Å | |
| CAO | CAT | doub | 1.38Å | 1.39Å | Aromatic |
| CAO | CAP | sing | 1.38Å | 1.40Å | Aromatic |
| CAT | CAS | sing | 1.38Å | 1.38Å | Aromatic |
| CAP | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| CAS | CAR | doub | 1.39Å | 1.40Å | Aromatic |
| CAQ | CAR | sing | 1.39Å | 1.39Å | Aromatic |
| CAR | OAU | sing | 1.36Å | 1.35Å | |
| OAU | CAV | sing | 1.43Å | 1.45Å | |
| CAW | H1 | sing | 1.09Å | 1.10Å | |
| CAW | H2 | sing | 1.09Å | 1.10Å | |
| CAW | H3 | sing | 1.09Å | 1.10Å | |
| CAI | H4 | sing | 1.08Å | 1.08Å | |
| CAX | H5 | sing | 1.09Å | 1.10Å | |
| CAX | H6 | sing | 1.09Å | 1.10Å | |
| CAY | H7 | sing | 1.09Å | 1.10Å | |
| CAY | H8 | sing | 1.09Å | 1.10Å | |
| CAY | H9 | sing | 1.09Å | 1.10Å | |
| CAF | H10 | sing | 1.08Å | 1.08Å | |
| NAK | H11 | sing | 0.97Å | 1.00Å | |
| CAP | H12 | sing | 1.08Å | 1.08Å | |
| CAQ | H13 | sing | 1.08Å | 1.08Å | |
| CAV | H14 | sing | 1.09Å | 1.10Å | |
| CAV | H15 | sing | 1.09Å | 1.10Å | |
| CAV | H16 | sing | 1.09Å | 1.10Å | |
| CAS | H17 | sing | 1.08Å | 1.08Å | |
| CAT | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAY | CAX | CAD | 108.8° | 109.5° |
| CAY | CAX | H5 | 109.6° | 109.5° |
| CAY | CAX | H6 | 109.6° | 109.5° |
| CAX | CAY | H7 | 109.5° | 109.4° |
| CAX | CAY | H8 | 109.5° | 109.5° |
| CAX | CAY | H9 | 109.5° | 109.5° |
| CAX | CAD | NAC | 122.1° | 126.2° |
| CAX | CAD | CAE | 126.4° | 126.3° |
| CAD | CAX | H5 | 109.6° | 109.4° |
| CAD | CAX | H6 | 109.6° | 109.5° |
| NAC | CAD | CAE | 111.4° | 107.5° |
| CAD | NAC | OAB | 104.8° | 109.7° |
| CAD | CAE | CAF | 130.7° | 133.6° |
| CAD | CAE | CAA | 109.4° | 106.5° |
| NAC | OAB | CAA | 104.2° | 109.3° |
| CAF | CAE | CAA | 119.9° | 120.0° |
| CAE | CAF | CAG | 119.2° | 119.7° |
| CAE | CAF | H10 | 120.4° | 120.1° |
| CAE | CAA | OAB | 110.1° | 107.0° |
| CAE | CAA | CAI | 122.5° | 119.7° |
| CAF | CAG | NAK | 122.9° | 119.9° |
| CAF | CAG | CAH | 120.2° | 120.1° |
| CAG | CAF | H10 | 120.4° | 120.1° |
| OAB | CAA | CAI | 127.4° | 133.2° |
| CAA | CAI | CAH | 119.7° | 120.0° |
| CAA | CAI | H4 | 120.1° | 120.0° |
| OAM | SAL | NAK | 115.8° | 106.4° |
| OAM | SAL | OAN | 108.4° | 123.1° |
| OAM | SAL | CAO | 111.6° | 106.4° |
| NAK | CAG | CAH | 116.9° | 119.9° |
| CAG | NAK | SAL | 121.1° | 120.0° |
| CAG | NAK | H11 | 106.5° | 120.0° |
| CAG | CAH | CAI | 118.4° | 120.5° |
| CAG | CAH | OAJ | 117.7° | 119.8° |
| NAK | SAL | OAN | 106.2° | 106.4° |
| NAK | SAL | CAO | 102.3° | 107.2° |
| SAL | NAK | H11 | 106.5° | 120.0° |
| CAI | CAH | OAJ | 123.9° | 119.8° |
| CAH | CAI | H4 | 120.1° | 120.0° |
| OAN | SAL | CAO | 112.6° | 106.4° |
| SAL | CAO | CAT | 119.4° | 120.0° |
| SAL | CAO | CAP | 117.9° | 119.9° |
| CAH | OAJ | CAW | 115.7° | 117.0° |
| OAJ | CAW | H1 | 109.5° | 109.5° |
| OAJ | CAW | H2 | 109.5° | 109.5° |
| OAJ | CAW | H3 | 109.5° | 109.4° |
| CAT | CAO | CAP | 122.7° | 120.1° |
| CAO | CAT | CAS | 117.5° | 120.0° |
| CAO | CAT | H18 | 121.2° | 119.9° |
| CAO | CAP | CAQ | 119.8° | 120.0° |
| CAO | CAP | H12 | 120.1° | 120.0° |
| CAT | CAS | CAR | 120.1° | 120.0° |
| CAT | CAS | H17 | 120.0° | 120.0° |
| CAS | CAT | H18 | 121.2° | 120.0° |
| CAP | CAQ | CAR | 117.5° | 119.9° |
| CAQ | CAP | H12 | 120.1° | 120.0° |
| CAP | CAQ | H13 | 121.3° | 120.0° |
| CAS | CAR | CAQ | 122.4° | 119.9° |
| CAS | CAR | OAU | 120.1° | 120.1° |
| CAR | CAS | H17 | 119.9° | 120.0° |
| CAQ | CAR | OAU | 117.5° | 120.0° |
| CAR | CAQ | H13 | 121.3° | 120.1° |
| CAR | OAU | CAV | 110.6° | 117.0° |
| OAU | CAV | H14 | 109.5° | 109.4° |
| OAU | CAV | H15 | 109.5° | 109.5° |
| OAU | CAV | H16 | 109.4° | 109.5° |
| H1 | CAW | H2 | 109.4° | 109.5° |
| H1 | CAW | H3 | 109.5° | 109.5° |
| H2 | CAW | H3 | 109.5° | 109.4° |
| H5 | CAX | H6 | 109.5° | 109.5° |
| H7 | CAY | H8 | 109.4° | 109.5° |
| H7 | CAY | H9 | 109.4° | 109.5° |
| H8 | CAY | H9 | 109.5° | 109.5° |
| H14 | CAV | H15 | 109.4° | 109.5° |
| H14 | CAV | H16 | 109.5° | 109.5° |
| H15 | CAV | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAY | CAX | CAD | H5 | 119.9° | 120.0° |
| CAY | CAX | CAD | H6 | 119.9° | 120.0° |
| CAY | CAX | CAD | NAC | 16.4° | 90.0° |
| CAY | CAX | CAD | CAE | 163.8° | 90.0° |
| CAY | CAX | H5 | H6 | 120.3° | 120.1° |
| CAX | CAY | H7 | H8 | 120.0° | 120.0° |
| CAX | CAY | H7 | H9 | 120.0° | 120.0° |
| CAX | CAY | H8 | H9 | 120.0° | 120.0° |
| CAX | CAD | NAC | CAE | 179.8° | 180.0° |
| CAX | CAD | NAC | OAB | 179.9° | 180.0° |
| CAX | CAD | CAE | CAF | 0.2° | 0.0° |
| CAX | CAD | CAE | CAA | 179.9° | 180.0° |
| CAD | CAX | H5 | H6 | 120.3° | 120.0° |
| CAD | CAX | CAY | H7 | 180.0° | 179.9° |
| CAD | CAX | CAY | H8 | 60.0° | 60.0° |
| CAD | CAX | CAY | H9 | 60.0° | 60.0° |
| NAC | CAD | CAE | CAF | 180.0° | 180.0° |
| NAC | CAD | CAE | CAA | 0.1° | 0.0° |
| CAD | NAC | OAB | CAA | 0.0° | 0.0° |
| NAC | CAD | CAX | H5 | 103.4° | 150.1° |
| NAC | CAD | CAX | H6 | 136.3° | 30.1° |
| CAE | CAD | NAC | OAB | 0.1° | 0.0° |
| CAD | CAE | CAF | CAA | 179.9° | 180.0° |
| CAD | CAE | CAF | CAG | 179.5° | 179.7° |
| CAD | CAE | CAA | OAB | 0.1° | 0.0° |
| CAD | CAE | CAA | CAI | 178.5° | 180.0° |
| CAE | CAD | CAX | H5 | 76.3° | 29.9° |
| CAE | CAD | CAX | H6 | 43.9° | 149.9° |
| CAD | CAE | CAF | H10 | 0.5° | 0.0° |
| NAC | OAB | CAA | CAE | 0.1° | 0.0° |
| NAC | OAB | CAA | CAI | 178.4° | 179.9° |
| CAE | CAF | CAG | H10 | 180.0° | 179.8° |
| CAF | CAE | CAA | OAB | 180.0° | 180.0° |
| CAF | CAE | CAA | CAI | 1.4° | 0.1° |
| CAE | CAF | CAG | NAK | 177.9° | 180.0° |
| CAE | CAF | CAG | CAH | 0.9° | 0.5° |
| CAA | CAE | CAF | CAG | 0.3° | 0.2° |
| CAE | CAA | OAB | CAI | 178.5° | 179.9° |
| CAE | CAA | CAI | CAH | 1.1° | 0.1° |
| CAE | CAA | CAI | H4 | 178.9° | 180.0° |
| CAA | CAE | CAF | H10 | 179.6° | 180.0° |
| CAF | CAG | NAK | CAH | 178.8° | 179.5° |
| CAF | CAG | NAK | SAL | 58.0° | 35.6° |
| CAF | CAG | CAH | CAI | 1.2° | 0.5° |
| CAF | CAG | CAH | OAJ | 179.6° | 179.7° |
| CAF | CAG | NAK | H11 | 179.6° | 144.5° |
| OAB | CAA | CAI | CAH | 179.5° | 180.0° |
| OAB | CAA | CAI | H4 | 0.6° | 0.0° |
| CAA | CAI | CAH | CAG | 0.2° | 0.2° |
| CAA | CAI | CAH | H4 | 180.0° | 180.0° |
| CAA | CAI | CAH | OAJ | 179.3° | 180.0° |
| OAM | SAL | NAK | CAG | 58.4° | 173.9° |
| OAM | SAL | NAK | OAN | 120.3° | 132.9° |
| OAM | SAL | NAK | CAO | 121.5° | 113.6° |
| OAM | SAL | OAN | CAO | 123.9° | 123.0° |
| OAM | SAL | CAO | CAT | 4.6° | 23.6° |
| OAM | SAL | CAO | CAP | 176.7° | 156.7° |
| OAM | SAL | NAK | H11 | 180.0° | 6.0° |
| CAG | NAK | SAL | H11 | 121.6° | 180.0° |
| NAK | CAG | CAH | CAI | 177.7° | 180.0° |
| CAG | NAK | SAL | OAN | 178.7° | 53.2° |
| CAG | NAK | SAL | CAO | 63.1° | 60.4° |
| NAK | CAG | CAH | OAJ | 1.5° | 0.3° |
| NAK | CAG | CAF | H10 | 2.1° | 0.2° |
| CAH | CAG | NAK | SAL | 123.2° | 145.0° |
| CAG | CAH | CAI | OAJ | 179.2° | 179.7° |
| CAG | CAH | OAJ | CAW | 168.5° | 179.7° |
| CAG | CAH | CAI | H4 | 179.8° | 179.7° |
| CAH | CAG | CAF | H10 | 179.1° | 179.7° |
| CAH | CAG | NAK | H11 | 1.5° | 35.0° |
| NAK | SAL | OAN | CAO | 111.1° | 114.1° |
| NAK | SAL | CAO | CAT | 119.7° | 90.0° |
| NAK | SAL | CAO | CAP | 59.0° | 89.7° |
| CAI | CAH | OAJ | CAW | 12.3° | 0.0° |
| OAN | SAL | CAO | CAT | 126.7° | 156.5° |
| OAN | SAL | CAO | CAP | 54.6° | 23.8° |
| OAN | SAL | NAK | H11 | 59.7° | 126.8° |
| SAL | CAO | CAT | CAP | 178.7° | 179.7° |
| SAL | CAO | CAT | CAS | 178.8° | 179.8° |
| SAL | CAO | CAP | CAQ | 179.2° | 179.9° |
| CAO | SAL | NAK | H11 | 58.5° | 119.6° |
| SAL | CAO | CAP | H12 | 0.8° | 0.0° |
| SAL | CAO | CAT | H18 | 1.2° | 0.0° |
| CAH | OAJ | CAW | H1 | 180.0° | 59.9° |
| CAH | OAJ | CAW | H2 | 60.0° | 180.0° |
| CAH | OAJ | CAW | H3 | 60.0° | 60.0° |
| OAJ | CAH | CAI | H4 | 0.7° | 0.0° |
| OAJ | CAW | H1 | H2 | 120.0° | 120.0° |
| OAJ | CAW | H1 | H3 | 120.0° | 120.0° |
| OAJ | CAW | H2 | H3 | 120.0° | 119.9° |
| CAO | CAT | CAS | H18 | 180.0° | 179.8° |
| CAT | CAO | CAP | CAQ | 2.1° | 0.2° |
| CAO | CAT | CAS | CAR | 1.8° | 0.5° |
| CAT | CAO | CAP | H12 | 177.8° | 179.7° |
| CAO | CAT | CAS | H17 | 178.2° | 179.7° |
| CAP | CAO | CAT | CAS | 2.5° | 0.5° |
| CAO | CAP | CAQ | H12 | 180.0° | 179.9° |
| CAO | CAP | CAQ | CAR | 1.0° | 0.0° |
| CAO | CAP | CAQ | H13 | 179.0° | 179.9° |
| CAP | CAO | CAT | H18 | 177.5° | 179.7° |
| CAT | CAS | CAR | H17 | 180.0° | 179.8° |
| CAT | CAS | CAR | CAQ | 0.8° | 0.2° |
| CAT | CAS | CAR | OAU | 179.4° | 179.7° |
| CAP | CAQ | CAR | CAS | 0.4° | 0.1° |
| CAP | CAQ | CAR | H13 | 180.0° | 179.9° |
| CAP | CAQ | CAR | OAU | 179.8° | 180.0° |
| CAS | CAR | CAQ | OAU | 179.8° | 180.0° |
| CAS | CAR | OAU | CAV | 46.3° | 0.0° |
| CAS | CAR | CAQ | H13 | 179.6° | 180.0° |
| CAR | CAS | CAT | H18 | 178.2° | 179.7° |
| CAQ | CAR | OAU | CAV | 133.5° | 180.0° |
| CAR | CAQ | CAP | H12 | 179.0° | 180.0° |
| CAQ | CAR | CAS | H17 | 179.2° | 180.0° |
| OAU | CAR | CAQ | H13 | 0.2° | 0.1° |
| CAR | OAU | CAV | H14 | 180.0° | 60.0° |
| CAR | OAU | CAV | H15 | 60.0° | 180.0° |
| CAR | OAU | CAV | H16 | 60.0° | 60.0° |
| OAU | CAR | CAS | H17 | 0.6° | 0.0° |
| OAU | CAV | H14 | H15 | 120.0° | 120.0° |
| OAU | CAV | H14 | H16 | 120.0° | 120.0° |
| OAU | CAV | H15 | H16 | 120.0° | 120.0° |
| H1 | CAW | H2 | H3 | 120.0° | 120.0° |
| H5 | CAX | CAY | H7 | 60.1° | 60.0° |
| H5 | CAX | CAY | H8 | 59.9° | 179.9° |
| H5 | CAX | CAY | H9 | 179.9° | 59.9° |
| H6 | CAX | CAY | H7 | 60.1° | 60.0° |
| H6 | CAX | CAY | H8 | 179.9° | 60.0° |
| H6 | CAX | CAY | H9 | 59.9° | 180.0° |
| H7 | CAY | H8 | H9 | 119.9° | 120.0° |
| H12 | CAP | CAQ | H13 | 1.0° | 0.1° |
| H14 | CAV | H15 | H16 | 120.0° | 120.0° |
| H17 | CAS | CAT | H18 | 1.8° | 0.0° |
