4QV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAK | CAJ | sing | 1.39Å | 1.33Å | |
| NAK | CAB | sing | 1.35Å | 1.32Å | |
| OAA | CAB | doub | 1.22Å | 1.23Å | |
| CAI | CAJ | doub | 1.39Å | 1.35Å | Aromatic |
| CAI | CAG | sing | 1.39Å | 1.40Å | Aromatic |
| CAJ | CAD | sing | 1.40Å | 1.35Å | Aromatic |
| CAB | NAC | sing | 1.35Å | 1.33Å | |
| OAH | CAG | sing | 1.36Å | 1.37Å | |
| CAG | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| CAD | NAC | sing | 1.40Å | 1.35Å | |
| CAD | CAE | doub | 1.39Å | 1.35Å | Aromatic |
| NAC | CAL | sing | 1.39Å | 1.35Å | |
| CAF | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| NAP | CAL | doub | 1.31Å | 1.34Å | Aromatic |
| NAP | CAO | sing | 1.36Å | 1.33Å | Aromatic |
| CAL | NAM | sing | 1.37Å | 1.34Å | Aromatic |
| CAO | CAQ | doub | 1.40Å | 1.34Å | Aromatic |
| CAO | CAN | sing | 1.41Å | 1.35Å | Aromatic |
| NAM | CAN | sing | 1.38Å | 1.33Å | Aromatic |
| CAQ | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | CAT | doub | 1.39Å | 1.33Å | Aromatic |
| CAR | CAS | doub | 1.39Å | 1.39Å | Aromatic |
| CAT | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| NAK | H1 | sing | 0.97Å | 1.00Å | |
| CAI | H2 | sing | 1.08Å | 1.08Å | |
| OAH | H3 | sing | 0.97Å | 0.95Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| CAE | H5 | sing | 1.08Å | 1.08Å | |
| NAM | H6 | sing | 0.97Å | 1.00Å | |
| CAT | H7 | sing | 1.08Å | 1.08Å | |
| CAS | H8 | sing | 1.08Å | 1.08Å | |
| CAR | H9 | sing | 1.08Å | 1.08Å | |
| CAQ | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAJ | NAK | CAB | 107.7° | 108.4° |
| NAK | CAJ | CAI | 130.7° | 133.3° |
| NAK | CAJ | CAD | 107.6° | 106.8° |
| CAJ | NAK | H1 | 126.1° | 125.7° |
| NAK | CAB | OAA | 125.1° | 125.2° |
| NAK | CAB | NAC | 110.0° | 109.7° |
| CAB | NAK | H1 | 126.1° | 125.8° |
| OAA | CAB | NAC | 124.9° | 125.2° |
| CAJ | CAI | CAG | 120.8° | 119.8° |
| CAI | CAJ | CAD | 121.7° | 119.9° |
| CAJ | CAI | H2 | 119.6° | 120.1° |
| CAI | CAG | OAH | 122.0° | 119.9° |
| CAI | CAG | CAF | 117.6° | 120.2° |
| CAG | CAI | H2 | 119.6° | 120.1° |
| CAJ | CAD | NAC | 108.1° | 106.7° |
| CAJ | CAD | CAE | 119.5° | 120.0° |
| CAB | NAC | CAD | 106.6° | 108.3° |
| CAB | NAC | CAL | 124.5° | 125.8° |
| OAH | CAG | CAF | 120.5° | 119.9° |
| CAG | OAH | H3 | 109.5° | 114.0° |
| CAG | CAF | CAE | 119.2° | 120.2° |
| CAG | CAF | H4 | 120.4° | 119.9° |
| NAC | CAD | CAE | 132.3° | 133.3° |
| CAD | NAC | CAL | 128.9° | 125.9° |
| CAD | CAE | CAF | 121.2° | 119.9° |
| CAD | CAE | H5 | 119.4° | 120.1° |
| NAC | CAL | NAP | 125.3° | 125.0° |
| NAC | CAL | NAM | 125.6° | 125.1° |
| CAE | CAF | H4 | 120.4° | 119.9° |
| CAF | CAE | H5 | 119.4° | 120.0° |
| CAL | NAP | CAO | 107.0° | 109.6° |
| NAP | CAL | NAM | 109.1° | 109.9° |
| NAP | CAO | CAQ | 130.8° | 133.4° |
| NAP | CAO | CAN | 108.4° | 107.1° |
| CAL | NAM | CAN | 107.5° | 107.3° |
| CAL | NAM | H6 | 126.2° | 126.4° |
| CAQ | CAO | CAN | 120.8° | 119.5° |
| CAO | CAQ | CAR | 120.2° | 119.8° |
| CAO | CAQ | H10 | 119.9° | 120.1° |
| CAO | CAN | NAM | 108.0° | 106.1° |
| CAO | CAN | CAT | 121.6° | 120.0° |
| NAM | CAN | CAT | 130.3° | 133.9° |
| CAN | NAM | H6 | 126.3° | 126.4° |
| CAQ | CAR | CAS | 118.6° | 120.5° |
| CAQ | CAR | H9 | 120.7° | 119.8° |
| CAR | CAQ | H10 | 119.9° | 120.1° |
| CAN | CAT | CAS | 119.8° | 119.9° |
| CAN | CAT | H7 | 120.1° | 120.1° |
| CAR | CAS | CAT | 118.9° | 120.5° |
| CAR | CAS | H8 | 120.6° | 119.8° |
| CAS | CAR | H9 | 120.7° | 119.8° |
| CAS | CAT | H7 | 120.1° | 120.1° |
| CAT | CAS | H8 | 120.5° | 119.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAJ | NAK | CAB | H1 | 180.0° | 179.9° |
| CAJ | NAK | CAB | OAA | 179.9° | 180.0° |
| NAK | CAJ | CAI | CAD | 180.0° | 180.0° |
| NAK | CAJ | CAI | CAG | 179.8° | 180.0° |
| CAJ | NAK | CAB | NAC | 0.6° | 0.2° |
| NAK | CAJ | CAD | NAC | 0.5° | 0.2° |
| NAK | CAJ | CAD | CAE | 180.0° | 180.0° |
| NAK | CAJ | CAI | H2 | 0.1° | 0.0° |
| NAK | CAB | OAA | NAC | 179.2° | 179.7° |
| CAB | NAK | CAJ | CAI | 180.0° | 180.0° |
| CAB | NAK | CAJ | CAD | 0.1° | 0.0° |
| NAK | CAB | NAC | CAD | 0.9° | 0.4° |
| NAK | CAB | NAC | CAL | 179.4° | 179.8° |
| OAA | CAB | NAC | CAD | 179.8° | 179.9° |
| OAA | CAB | NAC | CAL | 1.3° | 0.0° |
| OAA | CAB | NAK | H1 | 0.0° | 0.1° |
| CAJ | CAI | CAG | H2 | 180.0° | 180.0° |
| CAJ | CAI | CAG | OAH | 179.6° | 180.0° |
| CAJ | CAI | CAG | CAF | 0.2° | 0.0° |
| CAI | CAJ | CAD | NAC | 179.5° | 179.8° |
| CAI | CAJ | CAD | CAE | 0.1° | 0.0° |
| CAI | CAJ | NAK | H1 | 0.1° | 0.1° |
| CAG | CAI | CAJ | CAD | 0.1° | 0.0° |
| CAI | CAG | OAH | CAF | 179.8° | 180.0° |
| CAI | CAG | CAF | CAE | 0.1° | 0.0° |
| CAI | CAG | OAH | H3 | 180.0° | 90.0° |
| CAI | CAG | CAF | H4 | 179.9° | 180.0° |
| CAJ | CAD | NAC | CAB | 0.8° | 0.4° |
| CAJ | CAD | NAC | CAE | 179.5° | 179.7° |
| CAJ | CAD | NAC | CAL | 179.2° | 179.8° |
| CAJ | CAD | CAE | CAF | 0.2° | 0.0° |
| CAD | CAJ | NAK | H1 | 179.9° | 179.9° |
| CAD | CAJ | CAI | H2 | 179.9° | 180.0° |
| CAJ | CAD | CAE | H5 | 179.8° | 180.0° |
| CAB | NAC | CAD | CAL | 178.4° | 179.8° |
| CAB | NAC | CAD | CAE | 179.7° | 179.9° |
| CAB | NAC | CAL | NAP | 11.8° | 179.7° |
| CAB | NAC | CAL | NAM | 167.2° | 0.0° |
| NAC | CAB | NAK | H1 | 179.3° | 179.8° |
| OAH | CAG | CAF | CAE | 179.7° | 180.0° |
| OAH | CAG | CAI | H2 | 0.4° | 0.0° |
| OAH | CAG | CAF | H4 | 0.3° | 0.0° |
| CAG | CAF | CAE | CAD | 0.1° | 0.0° |
| CAG | CAF | CAE | H4 | 180.0° | 180.0° |
| CAF | CAG | CAI | H2 | 179.8° | 180.0° |
| CAF | CAG | OAH | H3 | 0.1° | 90.0° |
| CAG | CAF | CAE | H5 | 179.9° | 180.0° |
| NAC | CAD | CAE | CAF | 179.3° | 179.7° |
| CAD | NAC | CAL | NAP | 170.1° | 0.1° |
| CAD | NAC | CAL | NAM | 10.9° | 179.9° |
| NAC | CAD | CAE | H5 | 0.7° | 0.3° |
| CAE | CAD | NAC | CAL | 1.3° | 0.0° |
| CAD | CAE | CAF | H5 | 180.0° | 180.0° |
| CAD | CAE | CAF | H4 | 179.9° | 180.0° |
| NAC | CAL | NAP | NAM | 179.2° | 179.8° |
| NAC | CAL | NAP | CAO | 179.2° | 179.8° |
| NAC | CAL | NAM | CAN | 179.5° | 180.0° |
| NAC | CAL | NAM | H6 | 0.6° | 0.1° |
| CAL | NAP | CAO | CAQ | 179.7° | 179.8° |
| CAL | NAP | CAO | CAN | 0.2° | 0.4° |
| NAP | CAL | NAM | CAN | 0.3° | 0.2° |
| NAP | CAL | NAM | H6 | 179.7° | 179.7° |
| CAO | NAP | CAL | NAM | 0.1° | 0.4° |
| NAP | CAO | CAQ | CAN | 179.9° | 179.8° |
| NAP | CAO | CAN | NAM | 0.4° | 0.3° |
| NAP | CAO | CAQ | CAR | 180.0° | 179.7° |
| NAP | CAO | CAN | CAT | 180.0° | 179.8° |
| NAP | CAO | CAQ | H10 | 0.0° | 0.2° |
| CAL | NAM | CAN | CAO | 0.4° | 0.0° |
| CAL | NAM | CAN | H6 | 180.0° | 179.9° |
| CAL | NAM | CAN | CAT | 180.0° | 180.0° |
| CAQ | CAO | CAN | NAM | 179.5° | 179.9° |
| CAO | CAQ | CAR | H10 | 180.0° | 179.9° |
| CAQ | CAO | CAN | CAT | 0.1° | 0.0° |
| CAO | CAQ | CAR | CAS | 0.0° | 0.0° |
| CAO | CAQ | CAR | H9 | 180.0° | 180.0° |
| CAO | CAN | NAM | CAT | 179.6° | 179.9° |
| CAN | CAO | CAQ | CAR | 0.1° | 0.1° |
| CAO | CAN | CAT | CAS | 0.1° | 0.0° |
| CAO | CAN | NAM | H6 | 179.6° | 180.0° |
| CAO | CAN | CAT | H7 | 179.9° | 180.0° |
| CAN | CAO | CAQ | H10 | 179.9° | 180.0° |
| NAM | CAN | CAT | CAS | 179.4° | 180.0° |
| NAM | CAN | CAT | H7 | 0.6° | 0.1° |
| CAQ | CAR | CAS | H9 | 180.0° | 180.0° |
| CAQ | CAR | CAS | CAT | 0.0° | 0.0° |
| CAQ | CAR | CAS | H8 | 180.0° | 179.9° |
| CAN | CAT | CAS | CAR | 0.0° | 0.1° |
| CAN | CAT | CAS | H7 | 180.0° | 179.9° |
| CAT | CAN | NAM | H6 | 0.0° | 0.1° |
| CAN | CAT | CAS | H8 | 180.0° | 179.9° |
| CAR | CAS | CAT | H8 | 180.0° | 179.9° |
| CAR | CAS | CAT | H7 | 180.0° | 180.0° |
| CAS | CAR | CAQ | H10 | 179.9° | 180.0° |
| CAT | CAS | CAR | H9 | 180.0° | 180.0° |
| H4 | CAF | CAE | H5 | 0.1° | 0.0° |
| H7 | CAT | CAS | H8 | 0.0° | 0.1° |
| H8 | CAS | CAR | H9 | 0.0° | 0.1° |
| H9 | CAR | CAQ | H10 | 0.1° | 0.0° |
