WNX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAV | CAT | doub | 1.21Å | 1.18Å | |
| CAW | OAU | sing | 1.45Å | 1.40Å | |
| CAT | OAU | sing | 1.34Å | 1.40Å | |
| CAT | CAS | sing | 1.51Å | 1.52Å | |
| CAS | CAI | sing | 1.53Å | 1.52Å | |
| CAI | NAH | sing | 1.47Å | 1.44Å | |
| CAI | CAJ | sing | 1.50Å | 1.55Å | |
| NAN | CAJ | doub | 1.30Å | 1.35Å | Aromatic |
| NAN | NAO | sing | 1.28Å | 1.38Å | Aromatic |
| NAH | CAG | doub | 1.29Å | 1.42Å | |
| CAJ | NAK | sing | 1.36Å | 1.31Å | Aromatic |
| NBC | CBA | sing | 1.38Å | 1.36Å | Aromatic |
| NBC | CBD | sing | 1.37Å | 1.32Å | Aromatic |
| CBB | CBA | doub | 1.39Å | 1.42Å | Aromatic |
| CBB | CAQ | sing | 1.39Å | 1.39Å | Aromatic |
| NAO | CAP | doub | 1.31Å | 1.35Å | Aromatic |
| CAG | CAQ | sing | 1.48Å | 1.52Å | |
| CAG | CAD | sing | 1.47Å | 1.52Å | |
| CBA | CAZ | sing | 1.41Å | 1.37Å | Aromatic |
| NAK | CAP | sing | 1.36Å | 1.39Å | Aromatic |
| NAK | CAE | sing | 1.40Å | 1.41Å | |
| CBD | CBE | doub | 1.34Å | 1.39Å | Aromatic |
| CAQ | CAX | doub | 1.40Å | 1.40Å | Aromatic |
| CAP | CAR | sing | 1.51Å | 1.54Å | |
| CAD | CAE | doub | 1.40Å | 1.37Å | Aromatic |
| CAD | CAC | sing | 1.40Å | 1.41Å | Aromatic |
| CAE | CAF | sing | 1.39Å | 1.44Å | Aromatic |
| CAC | CAB | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAA | doub | 1.38Å | 1.40Å | Aromatic |
| CAZ | CBE | sing | 1.46Å | 1.42Å | Aromatic |
| CAZ | CAY | doub | 1.40Å | 1.42Å | Aromatic |
| CAX | CAY | sing | 1.36Å | 1.40Å | Aromatic |
| CAB | CAA | sing | 1.39Å | 1.41Å | Aromatic |
| CAB | OAL | sing | 1.36Å | 1.40Å | |
| OAL | CAM | sing | 1.43Å | 1.40Å | |
| CAA | H1 | sing | 1.08Å | 1.08Å | |
| CAC | H2 | sing | 1.08Å | 1.08Å | |
| CAF | H3 | sing | 1.08Å | 1.08Å | |
| CAI | H4 | sing | 1.09Å | 1.10Å | |
| CAM | H5 | sing | 1.09Å | 1.10Å | |
| CAM | H6 | sing | 1.09Å | 1.10Å | |
| CAM | H7 | sing | 1.09Å | 1.10Å | |
| CAR | H8 | sing | 1.09Å | 1.10Å | |
| CAR | H9 | sing | 1.09Å | 1.10Å | |
| CAR | H10 | sing | 1.09Å | 1.10Å | |
| CAS | H11 | sing | 1.09Å | 1.10Å | |
| CAS | H12 | sing | 1.09Å | 1.10Å | |
| CAW | H13 | sing | 1.09Å | 1.10Å | |
| CAW | H14 | sing | 1.09Å | 1.10Å | |
| CAW | H15 | sing | 1.09Å | 1.10Å | |
| CAX | H16 | sing | 1.08Å | 1.08Å | |
| CAY | H17 | sing | 1.08Å | 1.08Å | |
| CBB | H18 | sing | 1.08Å | 1.08Å | |
| CBD | H19 | sing | 1.08Å | 1.08Å | |
| CBE | H20 | sing | 1.08Å | 1.08Å | |
| NBC | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAV | CAT | OAU | 120.5° | 120.0° |
| OAV | CAT | CAS | 120.9° | 120.0° |
| CAW | OAU | CAT | 114.9° | 117.0° |
| OAU | CAW | H13 | 109.5° | 109.4° |
| OAU | CAW | H14 | 109.5° | 109.5° |
| OAU | CAW | H15 | 109.5° | 109.5° |
| OAU | CAT | CAS | 118.6° | 120.0° |
| CAT | CAS | CAI | 106.6° | 109.5° |
| CAT | CAS | H11 | 110.2° | 109.5° |
| CAT | CAS | H12 | 110.2° | 109.5° |
| CAS | CAI | NAH | 106.9° | 109.8° |
| CAS | CAI | CAJ | 114.7° | 109.5° |
| CAS | CAI | H4 | 109.2° | 109.8° |
| CAI | CAS | H11 | 110.2° | 109.5° |
| CAI | CAS | H12 | 110.2° | 109.5° |
| NAH | CAI | CAJ | 106.7° | 108.0° |
| CAI | NAH | CAG | 123.9° | 122.0° |
| NAH | CAI | H4 | 110.4° | 109.9° |
| CAI | CAJ | NAN | 126.4° | 127.5° |
| CAI | CAJ | NAK | 120.3° | 125.2° |
| CAJ | CAI | H4 | 108.9° | 109.8° |
| CAJ | NAN | NAO | 103.9° | 109.8° |
| NAN | CAJ | NAK | 113.3° | 107.3° |
| NAN | NAO | CAP | 109.5° | 109.9° |
| NAH | CAG | CAQ | 119.3° | 116.1° |
| NAH | CAG | CAD | 118.1° | 127.9° |
| CAJ | NAK | CAP | 105.9° | 106.1° |
| CAJ | NAK | CAE | 123.9° | 126.1° |
| CBA | NBC | CBD | 109.3° | 109.9° |
| NBC | CBA | CBB | 130.9° | 133.4° |
| NBC | CBA | CAZ | 109.4° | 107.2° |
| CBA | NBC | H21 | 125.3° | 125.0° |
| NBC | CBD | CBE | 108.9° | 109.9° |
| NBC | CBD | H19 | 125.6° | 125.0° |
| CBD | NBC | H21 | 125.3° | 125.1° |
| CBA | CBB | CAQ | 119.4° | 119.7° |
| CBB | CBA | CAZ | 119.8° | 119.4° |
| CBA | CBB | H18 | 120.2° | 120.2° |
| CBB | CAQ | CAG | 118.5° | 119.8° |
| CBB | CAQ | CAX | 121.3° | 120.4° |
| CAQ | CBB | H18 | 120.3° | 120.1° |
| NAO | CAP | NAK | 107.5° | 106.9° |
| NAO | CAP | CAR | 122.6° | 126.6° |
| CAQ | CAG | CAD | 122.4° | 116.1° |
| CAG | CAQ | CAX | 120.2° | 119.8° |
| CAG | CAD | CAE | 119.7° | 123.1° |
| CAG | CAD | CAC | 118.8° | 118.0° |
| CBA | CAZ | CBE | 105.7° | 106.0° |
| CBA | CAZ | CAY | 120.4° | 120.2° |
| CAP | NAK | CAE | 130.2° | 127.8° |
| NAK | CAP | CAR | 130.0° | 126.5° |
| NAK | CAE | CAD | 128.4° | 121.7° |
| NAK | CAE | CAF | 112.5° | 118.3° |
| CBD | CBE | CAZ | 106.7° | 107.1° |
| CBE | CBD | H19 | 125.5° | 125.1° |
| CBD | CBE | H20 | 126.6° | 126.4° |
| CAQ | CAX | CAY | 119.2° | 120.4° |
| CAQ | CAX | H16 | 120.4° | 119.8° |
| CAP | CAR | H8 | 109.5° | 109.5° |
| CAP | CAR | H9 | 109.4° | 109.5° |
| CAP | CAR | H10 | 109.5° | 109.5° |
| CAE | CAD | CAC | 121.4° | 118.9° |
| CAD | CAE | CAF | 119.0° | 120.0° |
| CAD | CAC | CAB | 120.0° | 120.5° |
| CAD | CAC | H2 | 120.0° | 119.7° |
| CAE | CAF | CAA | 119.3° | 120.6° |
| CAE | CAF | H3 | 120.4° | 119.7° |
| CAC | CAB | CAA | 119.5° | 120.1° |
| CAC | CAB | OAL | 116.6° | 119.9° |
| CAB | CAC | H2 | 120.0° | 119.8° |
| CAF | CAA | CAB | 120.8° | 119.9° |
| CAF | CAA | H1 | 119.6° | 120.1° |
| CAA | CAF | H3 | 120.4° | 119.7° |
| CBE | CAZ | CAY | 133.9° | 133.8° |
| CAZ | CBE | H20 | 126.7° | 126.5° |
| CAZ | CAY | CAX | 119.9° | 119.9° |
| CAZ | CAY | H17 | 120.1° | 120.0° |
| CAY | CAX | H16 | 120.4° | 119.8° |
| CAX | CAY | H17 | 120.1° | 120.0° |
| CAA | CAB | OAL | 123.9° | 119.9° |
| CAB | CAA | H1 | 119.6° | 120.0° |
| CAB | OAL | CAM | 116.5° | 117.0° |
| OAL | CAM | H5 | 109.5° | 109.5° |
| OAL | CAM | H6 | 109.4° | 109.5° |
| OAL | CAM | H7 | 109.5° | 109.5° |
| H5 | CAM | H6 | 109.5° | 109.5° |
| H5 | CAM | H7 | 109.4° | 109.5° |
| H6 | CAM | H7 | 109.5° | 109.5° |
| H8 | CAR | H9 | 109.5° | 109.4° |
| H8 | CAR | H10 | 109.4° | 109.5° |
| H9 | CAR | H10 | 109.5° | 109.5° |
| H11 | CAS | H12 | 109.5° | 109.5° |
| H13 | CAW | H14 | 109.5° | 109.4° |
| H13 | CAW | H15 | 109.5° | 109.5° |
| H14 | CAW | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAV | CAT | OAU | CAW | 6.3° | 0.0° |
| OAV | CAT | OAU | CAS | 179.8° | 180.0° |
| OAV | CAT | CAS | CAI | 148.8° | 0.0° |
| OAV | CAT | CAS | H11 | 91.6° | 120.0° |
| OAV | CAT | CAS | H12 | 29.3° | 120.0° |
| CAW | OAU | CAT | CAS | 173.9° | 180.0° |
| OAU | CAW | H13 | H14 | 120.0° | 120.0° |
| OAU | CAW | H13 | H15 | 120.0° | 120.0° |
| OAU | CAW | H14 | H15 | 120.0° | 120.0° |
| OAU | CAT | CAS | CAI | 31.0° | 180.0° |
| OAU | CAT | CAS | H11 | 88.6° | 60.0° |
| OAU | CAT | CAS | H12 | 150.5° | 60.0° |
| CAT | OAU | CAW | H13 | 180.0° | 180.0° |
| CAT | OAU | CAW | H14 | 60.0° | 60.0° |
| CAT | OAU | CAW | H15 | 60.0° | 60.0° |
| CAT | CAS | CAI | H11 | 119.6° | 120.0° |
| CAT | CAS | CAI | H12 | 119.6° | 120.0° |
| CAT | CAS | CAI | NAH | 60.8° | 65.0° |
| CAT | CAS | CAI | CAJ | 178.8° | 176.6° |
| CAT | CAS | CAI | H4 | 58.6° | 55.9° |
| CAT | CAS | H11 | H12 | 121.4° | 120.0° |
| CAS | CAI | NAH | CAJ | 123.2° | 119.3° |
| CAS | CAI | NAH | H4 | 118.7° | 120.9° |
| CAS | CAI | CAJ | H4 | 122.7° | 120.6° |
| CAS | CAI | CAJ | NAN | 7.3° | 119.3° |
| CAS | CAI | NAH | CAG | 171.4° | 58.2° |
| CAS | CAI | CAJ | NAK | 175.3° | 61.6° |
| CAI | CAS | H11 | H12 | 121.3° | 120.0° |
| NAH | CAI | CAJ | H4 | 119.1° | 119.9° |
| NAH | CAI | CAJ | NAN | 110.8° | 121.2° |
| NAH | CAI | CAJ | NAK | 66.6° | 57.9° |
| CAI | NAH | CAG | CAQ | 178.6° | 178.6° |
| CAI | NAH | CAG | CAD | 3.3° | 1.4° |
| NAH | CAI | CAS | H11 | 179.7° | 55.0° |
| NAH | CAI | CAS | H12 | 58.8° | 174.9° |
| CAI | CAJ | NAN | NAK | 177.6° | 179.2° |
| CAI | CAJ | NAN | NAO | 178.4° | 178.1° |
| CAJ | CAI | NAH | CAG | 65.5° | 61.1° |
| CAI | CAJ | NAK | CAP | 178.3° | 177.4° |
| CAI | CAJ | NAK | CAE | 1.1° | 4.9° |
| CAJ | CAI | CAS | H11 | 61.6° | 63.4° |
| CAJ | CAI | CAS | H12 | 59.2° | 56.5° |
| CAJ | NAN | NAO | CAP | 0.8° | 0.1° |
| NAN | CAJ | NAK | CAP | 0.5° | 1.9° |
| NAN | CAJ | NAK | CAE | 178.9° | 175.9° |
| NAN | CAJ | CAI | H4 | 130.0° | 1.3° |
| NAO | NAN | CAJ | NAK | 0.8° | 1.2° |
| NAN | NAO | CAP | NAK | 0.6° | 1.3° |
| NAN | NAO | CAP | CAR | 179.7° | 178.7° |
| NAH | CAG | CAQ | CBB | 29.4° | 153.8° |
| NAH | CAG | CAQ | CAD | 175.1° | 180.0° |
| NAH | CAG | CAQ | CAX | 149.4° | 26.0° |
| NAH | CAG | CAD | CAE | 45.7° | 42.0° |
| NAH | CAG | CAD | CAC | 134.7° | 139.7° |
| CAG | NAH | CAI | H4 | 52.7° | 179.1° |
| CAJ | NAK | CAP | NAO | 0.1° | 1.9° |
| CAJ | NAK | CAP | CAE | 179.3° | 177.7° |
| CAJ | NAK | CAP | CAR | 179.7° | 178.1° |
| CAJ | NAK | CAE | CAD | 42.2° | 36.1° |
| CAJ | NAK | CAE | CAF | 133.4° | 141.9° |
| NAK | CAJ | CAI | H4 | 52.5° | 177.8° |
| CBA | NBC | CBD | H21 | 180.0° | 179.9° |
| NBC | CBA | CBB | CAZ | 180.0° | 179.7° |
| NBC | CBA | CBB | CAQ | 179.8° | 179.8° |
| CBA | NBC | CBD | CBE | 0.1° | 0.0° |
| NBC | CBA | CAZ | CBE | 0.1° | 0.0° |
| NBC | CBA | CAZ | CAY | 179.9° | 180.0° |
| NBC | CBA | CBB | H18 | 0.3° | 0.3° |
| CBA | NBC | CBD | H19 | 179.9° | 179.9° |
| CBD | NBC | CBA | CBB | 179.9° | 179.7° |
| CBD | NBC | CBA | CAZ | 0.1° | 0.0° |
| NBC | CBD | CBE | H19 | 180.0° | 180.0° |
| NBC | CBD | CBE | CAZ | 0.1° | 0.0° |
| NBC | CBD | CBE | H20 | 179.9° | 180.0° |
| CBA | CBB | CAQ | H18 | 180.0° | 179.6° |
| CBA | CBB | CAQ | CAG | 179.2° | 179.7° |
| CBA | CBB | CAQ | CAX | 0.4° | 0.4° |
| CBB | CBA | CAZ | CBE | 179.9° | 179.8° |
| CBB | CBA | CAZ | CAY | 0.1° | 0.2° |
| CBB | CBA | NBC | H21 | 0.1° | 0.2° |
| CBB | CAQ | CAG | CAX | 178.8° | 179.8° |
| CBB | CAQ | CAG | CAD | 145.7° | 26.1° |
| CAQ | CBB | CBA | CAZ | 0.3° | 0.5° |
| CBB | CAQ | CAX | CAY | 0.3° | 0.2° |
| CBB | CAQ | CAX | H16 | 179.7° | 179.8° |
| NAO | CAP | NAK | CAR | 179.7° | 180.0° |
| NAO | CAP | NAK | CAE | 179.4° | 175.8° |
| NAO | CAP | CAR | H8 | 0.0° | 83.9° |
| NAO | CAP | CAR | H9 | 120.0° | 36.1° |
| NAO | CAP | CAR | H10 | 120.0° | 156.1° |
| CAQ | CAG | CAD | CAE | 139.2° | 137.9° |
| CAQ | CAG | CAD | CAC | 40.4° | 40.3° |
| CAG | CAQ | CAX | CAY | 179.1° | 180.0° |
| CAG | CAQ | CAX | H16 | 0.9° | 0.0° |
| CAG | CAQ | CBB | H18 | 0.8° | 0.2° |
| CAG | CAD | CAE | NAK | 2.9° | 5.2° |
| CAD | CAG | CAQ | CAX | 35.5° | 154.0° |
| CAG | CAD | CAE | CAC | 179.6° | 178.2° |
| CAG | CAD | CAE | CAF | 178.2° | 176.8° |
| CAG | CAD | CAC | CAB | 179.5° | 177.2° |
| CAG | CAD | CAC | H2 | 0.5° | 2.8° |
| CBA | CAZ | CBE | CBD | 0.0° | 0.0° |
| CBA | CAZ | CBE | CAY | 179.8° | 180.0° |
| CBA | CAZ | CAY | CAX | 0.1° | 0.0° |
| CBA | CAZ | CAY | H17 | 179.9° | 180.0° |
| CAZ | CBA | CBB | H18 | 179.7° | 180.0° |
| CBA | CAZ | CBE | H20 | 180.0° | 180.0° |
| CAZ | CBA | NBC | H21 | 179.9° | 179.9° |
| CAP | NAK | CAE | CAD | 137.1° | 146.7° |
| CAP | NAK | CAE | CAF | 47.4° | 35.3° |
| NAK | CAP | CAR | H8 | 179.6° | 96.2° |
| NAK | CAP | CAR | H9 | 60.4° | 143.9° |
| NAK | CAP | CAR | H10 | 59.6° | 23.9° |
| CAE | NAK | CAP | CAR | 0.9° | 4.2° |
| NAK | CAE | CAD | CAF | 175.3° | 178.0° |
| NAK | CAE | CAD | CAC | 177.5° | 176.6° |
| NAK | CAE | CAF | CAA | 178.6° | 177.5° |
| NAK | CAE | CAF | H3 | 1.4° | 3.1° |
| CBD | CBE | CAZ | H20 | 180.0° | 180.0° |
| CBD | CBE | CAZ | CAY | 179.8° | 180.0° |
| CBE | CBD | NBC | H21 | 179.9° | 179.9° |
| CAQ | CAX | CAY | CAZ | 0.2° | 0.0° |
| CAQ | CAX | CAY | H16 | 180.0° | 180.0° |
| CAQ | CAX | CAY | H17 | 179.8° | 180.0° |
| CAX | CAQ | CBB | H18 | 179.6° | 180.0° |
| CAP | CAR | H8 | H9 | 120.0° | 120.0° |
| CAP | CAR | H8 | H10 | 120.0° | 120.0° |
| CAP | CAR | H9 | H10 | 120.0° | 120.0° |
| CAE | CAD | CAC | CAB | 0.9° | 1.2° |
| CAD | CAE | CAF | CAA | 2.6° | 0.5° |
| CAE | CAD | CAC | H2 | 179.1° | 178.9° |
| CAD | CAE | CAF | H3 | 177.4° | 178.9° |
| CAC | CAD | CAE | CAF | 2.2° | 1.4° |
| CAD | CAC | CAB | H2 | 180.0° | 180.0° |
| CAD | CAC | CAB | CAA | 0.2° | 0.0° |
| CAD | CAC | CAB | OAL | 179.5° | 180.0° |
| CAE | CAF | CAA | H3 | 180.0° | 179.4° |
| CAE | CAF | CAA | CAB | 1.6° | 0.7° |
| CAE | CAF | CAA | H1 | 178.5° | 179.7° |
| CAC | CAB | CAA | CAF | 0.2° | 0.9° |
| CAC | CAB | CAA | OAL | 179.7° | 180.0° |
| CAC | CAB | OAL | CAM | 173.4° | 180.0° |
| CAC | CAB | CAA | H1 | 179.8° | 179.5° |
| CAF | CAA | CAB | H1 | 180.0° | 179.6° |
| CAF | CAA | CAB | OAL | 179.9° | 179.1° |
| CBE | CAZ | CAY | CAX | 179.8° | 180.0° |
| CBE | CAZ | CAY | H17 | 0.2° | 0.0° |
| CAZ | CBE | CBD | H19 | 179.9° | 180.0° |
| CAZ | CAY | CAX | H17 | 180.0° | 180.0° |
| CAZ | CAY | CAX | H16 | 179.8° | 180.0° |
| CAY | CAZ | CBE | H20 | 0.2° | 0.0° |
| CAA | CAB | OAL | CAM | 6.2° | 0.0° |
| CAA | CAB | CAC | H2 | 179.8° | 180.0° |
| CAB | CAA | CAF | H3 | 178.4° | 180.0° |
| OAL | CAB | CAA | H1 | 0.2° | 0.5° |
| OAL | CAB | CAC | H2 | 0.5° | 0.0° |
| CAB | OAL | CAM | H5 | 180.0° | 60.0° |
| CAB | OAL | CAM | H6 | 60.0° | 60.0° |
| CAB | OAL | CAM | H7 | 60.0° | 180.0° |
| OAL | CAM | H5 | H6 | 120.0° | 120.0° |
| OAL | CAM | H5 | H7 | 120.0° | 120.1° |
| OAL | CAM | H6 | H7 | 120.0° | 120.0° |
| H1 | CAA | CAF | H3 | 1.6° | 0.3° |
| H4 | CAI | CAS | H11 | 60.9° | 175.9° |
| H4 | CAI | CAS | H12 | 178.2° | 64.1° |
| H5 | CAM | H6 | H7 | 119.9° | 120.0° |
| H8 | CAR | H9 | H10 | 120.0° | 120.0° |
| H13 | CAW | H14 | H15 | 120.0° | 120.1° |
| H16 | CAX | CAY | H17 | 0.2° | 0.0° |
| H19 | CBD | CBE | H20 | 0.1° | 0.0° |
| H19 | CBD | NBC | H21 | 0.1° | 0.0° |
