2NX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | OAK | sing | 1.43Å | 1.42Å | |
| OAK | PAO | sing | 1.61Å | 1.58Å | |
| OAD | PAO | doub | 1.48Å | 1.47Å | |
| PAO | NAJ | sing | 1.64Å | 1.67Å | |
| PAO | OAL | sing | 1.61Å | 1.59Å | |
| NAJ | CAM | sing | 1.35Å | 1.34Å | |
| OAL | CAB | sing | 1.43Å | 1.43Å | |
| CAI | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAN | sing | 1.40Å | 1.39Å | Aromatic |
| CAM | OAC | doub | 1.22Å | 1.23Å | |
| CAM | CAN | sing | 1.48Å | 1.39Å | |
| CAG | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | CAH | doub | 1.40Å | 1.39Å | Aromatic |
| CAE | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAF | 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 | |
| NAJ | H7 | sing | 0.97Å | 1.00Å | |
| CAH | H8 | sing | 1.08Å | 1.08Å | |
| CAF | H9 | sing | 1.08Å | 1.08Å | |
| CAE | H10 | sing | 1.08Å | 1.08Å | |
| CAG | H11 | sing | 1.08Å | 1.08Å | |
| CAI | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | OAK | PAO | 120.0° | 123.0° |
| OAK | CAA | H1 | 109.5° | 109.5° |
| OAK | CAA | H2 | 109.5° | 109.5° |
| OAK | CAA | H3 | 109.5° | 109.5° |
| OAK | PAO | OAD | 108.1° | 109.4° |
| OAK | PAO | NAJ | 111.0° | 109.5° |
| OAK | PAO | OAL | 101.7° | 109.5° |
| OAD | PAO | NAJ | 117.7° | 109.5° |
| OAD | PAO | OAL | 108.1° | 109.5° |
| NAJ | PAO | OAL | 109.1° | 109.5° |
| PAO | NAJ | CAM | 114.6° | 120.0° |
| PAO | NAJ | H7 | 122.7° | 120.0° |
| PAO | OAL | CAB | 119.7° | 123.0° |
| NAJ | CAM | OAC | 122.8° | 120.0° |
| NAJ | CAM | CAN | 117.8° | 120.0° |
| CAM | NAJ | H7 | 122.7° | 120.0° |
| OAL | CAB | H4 | 109.5° | 109.5° |
| OAL | CAB | H5 | 109.5° | 109.5° |
| OAL | CAB | H6 | 109.5° | 109.5° |
| CAG | CAI | CAN | 120.2° | 119.8° |
| CAI | CAG | CAE | 119.9° | 120.2° |
| CAI | CAG | H11 | 120.0° | 119.9° |
| CAG | CAI | H12 | 119.9° | 120.1° |
| CAI | CAN | CAM | 120.4° | 120.2° |
| CAI | CAN | CAH | 119.8° | 119.7° |
| CAN | CAI | H12 | 119.9° | 120.1° |
| OAC | CAM | CAN | 119.2° | 120.0° |
| CAM | CAN | CAH | 119.7° | 120.1° |
| CAG | CAE | CAF | 119.9° | 120.3° |
| CAG | CAE | H10 | 120.0° | 119.8° |
| CAE | CAG | H11 | 120.1° | 119.9° |
| CAN | CAH | CAF | 120.1° | 119.8° |
| CAN | CAH | H8 | 120.0° | 120.1° |
| CAE | CAF | CAH | 120.1° | 120.1° |
| CAE | CAF | H9 | 120.0° | 120.0° |
| CAF | CAE | H10 | 120.0° | 119.9° |
| CAF | CAH | H8 | 119.9° | 120.0° |
| CAH | CAF | H9 | 120.0° | 119.9° |
| H1 | CAA | H2 | 109.4° | 109.5° |
| H1 | CAA | H3 | 109.4° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.4° |
| H4 | CAB | H5 | 109.5° | 109.5° |
| H4 | CAB | H6 | 109.4° | 109.5° |
| H5 | CAB | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | OAK | PAO | OAD | 47.6° | 45.0° |
| CAA | OAK | PAO | NAJ | 82.9° | 75.0° |
| CAA | OAK | PAO | OAL | 161.3° | 165.0° |
| OAK | CAA | H1 | H2 | 120.0° | 120.0° |
| OAK | CAA | H1 | H3 | 120.0° | 120.0° |
| OAK | CAA | H2 | H3 | 120.0° | 120.0° |
| OAK | PAO | OAD | NAJ | 126.6° | 120.0° |
| OAK | PAO | OAD | OAL | 109.3° | 120.0° |
| OAK | PAO | NAJ | OAL | 111.2° | 120.0° |
| OAK | PAO | NAJ | CAM | 163.4° | 60.0° |
| OAK | PAO | OAL | CAB | 27.2° | 170.0° |
| PAO | OAK | CAA | H1 | 180.0° | 180.0° |
| PAO | OAK | CAA | H2 | 60.0° | 60.0° |
| PAO | OAK | CAA | H3 | 60.0° | 60.0° |
| OAK | PAO | NAJ | H7 | 16.6° | 120.0° |
| OAD | PAO | NAJ | OAL | 123.6° | 120.1° |
| OAD | PAO | NAJ | CAM | 71.4° | 180.0° |
| OAD | PAO | OAL | CAB | 140.8° | 50.0° |
| OAD | PAO | NAJ | H7 | 108.6° | 0.0° |
| PAO | NAJ | CAM | H7 | 180.0° | 180.0° |
| NAJ | PAO | OAL | CAB | 90.1° | 70.0° |
| PAO | NAJ | CAM | OAC | 0.0° | 0.0° |
| PAO | NAJ | CAM | CAN | 176.2° | 180.0° |
| OAL | PAO | NAJ | CAM | 52.2° | 60.0° |
| PAO | OAL | CAB | H4 | 180.0° | 60.0° |
| PAO | OAL | CAB | H5 | 60.0° | 60.0° |
| PAO | OAL | CAB | H6 | 60.0° | 180.0° |
| OAL | PAO | NAJ | H7 | 127.8° | 120.0° |
| NAJ | CAM | CAN | CAI | 41.8° | 0.3° |
| NAJ | CAM | OAC | CAN | 176.1° | 180.0° |
| NAJ | CAM | CAN | CAH | 141.5° | 180.0° |
| OAL | CAB | H4 | H5 | 120.0° | 120.0° |
| OAL | CAB | H4 | H6 | 120.0° | 120.0° |
| OAL | CAB | H5 | H6 | 120.0° | 120.0° |
| CAG | CAI | CAN | H12 | 180.0° | 179.5° |
| CAG | CAI | CAN | CAM | 178.6° | 179.8° |
| CAI | CAG | CAE | H11 | 180.0° | 179.8° |
| CAG | CAI | CAN | CAH | 2.0° | 0.5° |
| CAI | CAG | CAE | CAF | 0.3° | 0.2° |
| CAI | CAG | CAE | H10 | 179.7° | 179.8° |
| CAI | CAN | CAM | OAC | 134.5° | 179.7° |
| CAI | CAN | CAM | CAH | 176.6° | 179.7° |
| CAN | CAI | CAG | CAE | 1.2° | 0.5° |
| CAI | CAN | CAH | CAF | 1.8° | 0.2° |
| CAI | CAN | CAH | H8 | 178.1° | 179.7° |
| CAN | CAI | CAG | H11 | 178.8° | 179.7° |
| OAC | CAM | CAN | CAH | 42.2° | 0.0° |
| OAC | CAM | NAJ | H7 | 180.0° | 180.0° |
| CAM | CAN | CAH | CAF | 178.5° | 179.9° |
| CAN | CAM | NAJ | H7 | 3.8° | 0.0° |
| CAM | CAN | CAH | H8 | 1.5° | 0.0° |
| CAM | CAN | CAI | H12 | 1.4° | 0.2° |
| CAG | CAE | CAF | H10 | 180.0° | 180.0° |
| CAG | CAE | CAF | CAH | 0.2° | 0.1° |
| CAG | CAE | CAF | H9 | 179.8° | 180.0° |
| CAE | CAG | CAI | H12 | 178.8° | 180.0° |
| CAN | CAH | CAF | CAE | 0.9° | 0.1° |
| CAN | CAH | CAF | H8 | 180.0° | 179.9° |
| CAN | CAH | CAF | H9 | 179.1° | 180.0° |
| CAH | CAN | CAI | H12 | 178.0° | 180.0° |
| CAE | CAF | CAH | H9 | 180.0° | 179.9° |
| CAE | CAF | CAH | H8 | 179.1° | 180.0° |
| CAF | CAE | CAG | H11 | 179.7° | 180.0° |
| CAH | CAF | CAE | H10 | 179.9° | 179.9° |
| H1 | CAA | H2 | H3 | 119.9° | 120.0° |
| H4 | CAB | H5 | H6 | 119.9° | 120.0° |
| H8 | CAH | CAF | H9 | 1.0° | 0.1° |
| H9 | CAF | CAE | H10 | 0.2° | 0.0° |
| H10 | CAE | CAG | H11 | 0.3° | 0.0° |
| H11 | CAG | CAI | H12 | 1.2° | 0.2° |
