XFZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAQ | CAO | sing | 1.37Å | 1.34Å | |
| CAO | NAN | doub | 1.32Å | 1.35Å | |
| CAO | NAP | sing | 1.37Å | 1.34Å | |
| NAN | NAM | sing | 1.29Å | 1.10Å | |
| NAM | CAL | doub | 1.31Å | 1.34Å | |
| CAL | CAK | sing | 1.47Å | 1.39Å | |
| CAK | CAJ | doub | 1.40Å | 1.39Å | Aromatic |
| CAK | CAR | sing | 1.39Å | 1.38Å | Aromatic |
| CAJ | CAI | sing | 1.38Å | 1.41Å | Aromatic |
| CAR | CAG | doub | 1.39Å | 1.39Å | Aromatic |
| CAI | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAH | sing | 1.40Å | 1.40Å | Aromatic |
| CAG | CAF | sing | 1.47Å | 1.38Å | |
| NAE | CAF | doub | 1.31Å | 1.34Å | |
| NAE | NAD | sing | 1.29Å | 1.47Å | |
| NAD | CAB | doub | 1.32Å | 1.38Å | |
| CAB | NAA | sing | 1.37Å | 1.35Å | |
| CAB | NAC | sing | 1.37Å | 1.35Å | |
| NAA | H1 | sing | 0.97Å | 1.00Å | |
| NAC | H2 | sing | 0.97Å | 1.00Å | |
| NAC | H3 | sing | 0.97Å | 1.00Å | |
| CAF | H5 | sing | 1.08Å | 1.08Å | |
| CAR | H6 | sing | 1.08Å | 1.08Å | |
| CAH | H7 | sing | 1.08Å | 1.08Å | |
| CAI | H8 | sing | 1.08Å | 1.08Å | |
| CAJ | H9 | sing | 1.08Å | 1.08Å | |
| CAL | H10 | sing | 1.08Å | 1.08Å | |
| NAQ | H12 | sing | 0.97Å | 1.00Å | |
| NAP | H13 | sing | 0.97Å | 1.00Å | |
| NAP | H14 | sing | 0.97Å | 1.00Å | |
| NAA | H15 | sing | 0.97Å | 1.00Å | |
| NAQ | H4 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAQ | CAO | NAN | 120.8° | 120.0° |
| NAQ | CAO | NAP | 118.8° | 120.0° |
| CAO | NAQ | H12 | 120.0° | 120.0° |
| CAO | NAQ | H4 | 120.0° | 120.1° |
| NAN | CAO | NAP | 120.3° | 120.0° |
| CAO | NAN | NAM | 113.8° | 120.0° |
| CAO | NAP | H13 | 120.0° | 120.0° |
| CAO | NAP | H14 | 120.0° | 120.0° |
| NAN | NAM | CAL | 122.3° | 120.0° |
| NAM | CAL | CAK | 116.6° | 120.0° |
| NAM | CAL | H10 | 121.7° | 119.9° |
| CAL | CAK | CAJ | 121.6° | 120.1° |
| CAL | CAK | CAR | 119.5° | 120.1° |
| CAK | CAL | H10 | 121.7° | 120.1° |
| CAJ | CAK | CAR | 118.7° | 119.8° |
| CAK | CAJ | CAI | 122.1° | 120.1° |
| CAK | CAJ | H9 | 119.0° | 119.9° |
| CAK | CAR | CAG | 120.2° | 119.7° |
| CAK | CAR | H6 | 119.9° | 120.2° |
| CAJ | CAI | CAH | 118.6° | 120.4° |
| CAJ | CAI | H8 | 120.7° | 119.8° |
| CAI | CAJ | H9 | 119.0° | 120.0° |
| CAR | CAG | CAH | 121.1° | 119.8° |
| CAR | CAG | CAF | 114.8° | 120.1° |
| CAG | CAR | H6 | 119.9° | 120.2° |
| CAI | CAH | CAG | 119.3° | 120.1° |
| CAI | CAH | H7 | 120.3° | 119.9° |
| CAH | CAI | H8 | 120.7° | 119.8° |
| CAH | CAG | CAF | 124.1° | 120.1° |
| CAG | CAH | H7 | 120.4° | 119.9° |
| CAG | CAF | NAE | 118.1° | 120.0° |
| CAG | CAF | H5 | 120.9° | 120.1° |
| CAF | NAE | NAD | 125.7° | 120.1° |
| NAE | CAF | H5 | 121.0° | 119.9° |
| NAE | NAD | CAB | 128.6° | 120.0° |
| NAD | CAB | NAA | 125.8° | 120.0° |
| NAD | CAB | NAC | 117.0° | 120.0° |
| NAA | CAB | NAC | 117.1° | 120.0° |
| CAB | NAA | H1 | 120.0° | 120.0° |
| CAB | NAA | H15 | 120.0° | 120.0° |
| CAB | NAC | H2 | 120.0° | 120.0° |
| CAB | NAC | H3 | 120.0° | 120.0° |
| H1 | NAA | H15 | 120.0° | 120.0° |
| H2 | NAC | H3 | 120.0° | 120.0° |
| H12 | NAQ | H4 | 120.0° | 120.0° |
| H13 | NAP | H14 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAQ | CAO | NAN | NAP | 179.3° | 180.0° |
| NAQ | CAO | NAN | NAM | 179.9° | 180.0° |
| CAO | NAQ | H12 | H4 | 180.0° | 180.0° |
| NAQ | CAO | NAP | H13 | 179.3° | 180.0° |
| NAQ | CAO | NAP | H14 | 0.7° | 0.0° |
| CAO | NAN | NAM | CAL | 179.7° | 180.0° |
| NAN | CAO | NAQ | H12 | 179.3° | 0.0° |
| NAN | CAO | NAP | H13 | 0.0° | 0.1° |
| NAN | CAO | NAP | H14 | 180.0° | 180.0° |
| NAN | CAO | NAQ | H4 | 0.7° | 180.0° |
| NAP | CAO | NAN | NAM | 0.8° | 0.0° |
| NAP | CAO | NAQ | H12 | 0.0° | 180.0° |
| CAO | NAP | H13 | H14 | 180.0° | 180.0° |
| NAP | CAO | NAQ | H4 | 180.0° | 0.0° |
| NAN | NAM | CAL | CAK | 177.5° | 180.0° |
| NAN | NAM | CAL | H10 | 2.5° | 0.0° |
| NAM | CAL | CAK | H10 | 180.0° | 180.0° |
| NAM | CAL | CAK | CAJ | 129.3° | 0.0° |
| NAM | CAL | CAK | CAR | 47.3° | 179.2° |
| CAL | CAK | CAJ | CAR | 176.6° | 179.2° |
| CAL | CAK | CAJ | CAI | 178.7° | 180.0° |
| CAL | CAK | CAR | CAG | 178.7° | 179.7° |
| CAL | CAK | CAR | H6 | 1.3° | 0.2° |
| CAL | CAK | CAJ | H9 | 1.3° | 0.5° |
| CAK | CAJ | CAI | H9 | 180.0° | 179.5° |
| CAJ | CAK | CAR | CAG | 2.0° | 0.5° |
| CAK | CAJ | CAI | CAH | 1.0° | 0.5° |
| CAJ | CAK | CAR | H6 | 178.1° | 179.4° |
| CAK | CAJ | CAI | H8 | 179.0° | 179.4° |
| CAJ | CAK | CAL | H10 | 50.7° | 180.0° |
| CAR | CAK | CAJ | CAI | 2.1° | 0.8° |
| CAK | CAR | CAG | H6 | 180.0° | 180.0° |
| CAK | CAR | CAG | CAH | 0.9° | 0.0° |
| CAK | CAR | CAG | CAF | 179.2° | 179.8° |
| CAR | CAK | CAJ | H9 | 178.0° | 179.7° |
| CAR | CAK | CAL | H10 | 132.7° | 0.8° |
| CAJ | CAI | CAH | H8 | 180.0° | 179.9° |
| CAJ | CAI | CAH | CAG | 0.1° | 0.0° |
| CAJ | CAI | CAH | H7 | 179.9° | 180.0° |
| CAR | CAG | CAH | CAI | 0.2° | 0.3° |
| CAR | CAG | CAH | CAF | 179.9° | 179.8° |
| CAR | CAG | CAF | NAE | 59.8° | 179.7° |
| CAR | CAG | CAF | H5 | 120.1° | 0.2° |
| CAR | CAG | CAH | H7 | 179.8° | 179.8° |
| CAI | CAH | CAG | H7 | 180.0° | 180.0° |
| CAI | CAH | CAG | CAF | 179.7° | 180.0° |
| CAH | CAI | CAJ | H9 | 179.0° | 180.0° |
| CAH | CAG | CAF | NAE | 120.1° | 0.0° |
| CAH | CAG | CAF | H5 | 59.9° | 180.0° |
| CAH | CAG | CAR | H6 | 179.1° | 180.0° |
| CAG | CAH | CAI | H8 | 179.9° | 180.0° |
| CAG | CAF | NAE | H5 | 180.0° | 179.9° |
| CAG | CAF | NAE | NAD | 177.0° | 180.0° |
| CAF | CAG | CAR | H6 | 0.8° | 0.3° |
| CAF | CAG | CAH | H7 | 0.3° | 0.0° |
| CAF | NAE | NAD | CAB | 2.9° | 180.0° |
| NAE | NAD | CAB | NAA | 0.0° | 0.0° |
| NAE | NAD | CAB | NAC | 179.9° | 180.0° |
| NAD | NAE | CAF | H5 | 3.0° | 0.0° |
| NAD | CAB | NAA | NAC | 179.9° | 180.0° |
| NAD | CAB | NAA | H1 | 179.9° | 179.9° |
| NAD | CAB | NAC | H2 | 179.9° | 179.9° |
| NAD | CAB | NAC | H3 | 0.1° | 0.0° |
| NAD | CAB | NAA | H15 | 0.1° | 0.3° |
| CAB | NAA | H1 | H15 | 180.0° | 179.7° |
| NAA | CAB | NAC | H2 | 0.0° | 0.0° |
| NAA | CAB | NAC | H3 | 180.0° | 180.0° |
| NAC | CAB | NAA | H1 | 0.0° | 0.0° |
| CAB | NAC | H2 | H3 | 180.0° | 180.0° |
| NAC | CAB | NAA | H15 | 180.0° | 179.7° |
| H7 | CAH | CAI | H8 | 0.1° | 0.1° |
| H8 | CAI | CAJ | H9 | 1.0° | 0.1° |
