W4N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAK | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAK | CAQ | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAJ | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CAQ | sing | 1.38Å | 1.40Å | Aromatic |
| CAQ | CAM | sing | 1.51Å | 1.40Å | |
| CAM | CAR | sing | 1.53Å | 1.53Å | |
| CAR | OAC | sing | 1.43Å | 1.45Å | |
| CAR | CAP | sing | 1.51Å | 1.41Å | |
| CAP | CAG | doub | 1.29Å | 1.40Å | |
| CAP | CAT | sing | 1.50Å | 1.41Å | |
| CAG | CAU | sing | 1.50Å | 1.40Å | |
| CAU | CAO | sing | 1.51Å | 1.41Å | |
| CAU | OAF | sing | 1.43Å | 1.42Å | |
| CAU | CAN | sing | 1.53Å | 1.51Å | |
| CAO | OAB | sing | 1.34Å | 1.25Å | |
| CAO | OAA | doub | 1.21Å | 1.24Å | |
| CAN | CAS | sing | 1.53Å | 1.53Å | |
| CAS | OAD | sing | 1.43Å | 1.46Å | |
| CAS | CAT | sing | 1.53Å | 1.53Å | |
| CAT | OAE | sing | 1.43Å | 1.43Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | HAM1 | sing | 1.09Å | 1.10Å | |
| CAM | HAM2 | sing | 1.09Å | 1.10Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| OAC | HAC | sing | 0.97Å | 0.95Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAT | HAT | sing | 1.09Å | 1.10Å | |
| OAF | HAF | sing | 0.97Å | 0.95Å | |
| CAN | HAN1 | sing | 1.09Å | 1.10Å | |
| CAN | HAN2 | sing | 1.09Å | 1.10Å | |
| OAB | HAB | sing | 0.97Å | 0.95Å | |
| CAS | HAS | sing | 1.09Å | 1.10Å | |
| OAD | HAD | sing | 0.97Å | 0.95Å | |
| OAE | HAE | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAI | CAK | CAQ | 120.3° | 120.0° |
| CAK | CAI | CAH | 119.6° | 120.0° |
| CAI | CAK | HAK | 119.9° | 120.0° |
| CAK | CAI | HAI | 120.2° | 120.0° |
| CAK | CAQ | CAL | 119.6° | 120.0° |
| CAK | CAQ | CAM | 120.2° | 120.0° |
| CAQ | CAK | HAK | 119.8° | 120.0° |
| CAI | CAH | CAJ | 120.6° | 120.0° |
| CAH | CAI | HAI | 120.2° | 120.1° |
| CAI | CAH | HAH | 119.7° | 120.0° |
| CAH | CAJ | CAL | 119.8° | 120.0° |
| CAJ | CAH | HAH | 119.7° | 120.0° |
| CAH | CAJ | HAJ | 120.1° | 120.0° |
| CAJ | CAL | CAQ | 120.1° | 120.0° |
| CAL | CAJ | HAJ | 120.1° | 120.0° |
| CAJ | CAL | HAL | 120.0° | 120.0° |
| CAL | CAQ | CAM | 120.2° | 120.0° |
| CAQ | CAL | HAL | 119.9° | 120.0° |
| CAQ | CAM | CAR | 110.2° | 109.5° |
| CAQ | CAM | HAM1 | 109.3° | 109.5° |
| CAQ | CAM | HAM2 | 109.3° | 109.4° |
| CAM | CAR | OAC | 109.6° | 109.5° |
| CAM | CAR | CAP | 109.3° | 109.4° |
| CAR | CAM | HAM1 | 109.3° | 109.5° |
| CAR | CAM | HAM2 | 109.3° | 109.5° |
| CAM | CAR | HAR | 107.4° | 109.5° |
| OAC | CAR | CAP | 113.2° | 109.4° |
| OAC | CAR | HAR | 108.4° | 109.5° |
| CAR | OAC | HAC | 109.5° | 114.0° |
| CAR | CAP | CAG | 116.7° | 117.9° |
| CAR | CAP | CAT | 121.8° | 117.9° |
| CAP | CAR | HAR | 108.9° | 109.4° |
| CAG | CAP | CAT | 121.5° | 124.1° |
| CAP | CAG | CAU | 125.2° | 124.1° |
| CAP | CAG | HAG | 117.4° | 118.0° |
| CAP | CAT | CAS | 111.3° | 110.1° |
| CAP | CAT | OAE | 111.5° | 109.4° |
| CAP | CAT | HAT | 109.9° | 109.3° |
| CAG | CAU | CAO | 107.6° | 109.4° |
| CAG | CAU | OAF | 108.8° | 109.4° |
| CAG | CAU | CAN | 113.0° | 110.1° |
| CAU | CAG | HAG | 117.4° | 118.0° |
| CAO | CAU | OAF | 108.3° | 109.3° |
| CAO | CAU | CAN | 110.0° | 109.4° |
| CAU | CAO | OAB | 119.1° | 120.0° |
| CAU | CAO | OAA | 116.6° | 120.0° |
| OAF | CAU | CAN | 109.0° | 109.3° |
| CAU | OAF | HAF | 109.5° | 114.0° |
| CAU | CAN | CAS | 107.9° | 108.5° |
| CAU | CAN | HAN1 | 109.9° | 109.6° |
| CAU | CAN | HAN2 | 109.9° | 109.7° |
| OAB | CAO | OAA | 124.2° | 120.0° |
| CAO | OAB | HAB | 109.5° | 117.0° |
| CAN | CAS | OAD | 110.1° | 109.7° |
| CAN | CAS | CAT | 109.8° | 108.3° |
| CAS | CAN | HAN1 | 109.9° | 109.6° |
| CAS | CAN | HAN2 | 109.8° | 109.7° |
| CAN | CAS | HAS | 109.4° | 109.7° |
| OAD | CAS | CAT | 107.6° | 109.6° |
| OAD | CAS | HAS | 110.5° | 109.6° |
| CAS | OAD | HAD | 109.5° | 114.0° |
| CAS | CAT | OAE | 106.4° | 109.3° |
| CAS | CAT | HAT | 108.2° | 109.6° |
| CAT | CAS | HAS | 109.5° | 110.0° |
| OAE | CAT | HAT | 109.5° | 109.2° |
| CAT | OAE | HAE | 109.5° | 114.0° |
| HAM1 | CAM | HAM2 | 109.4° | 109.5° |
| HAN1 | CAN | HAN2 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAI | CAK | CAQ | HAK | 180.0° | 179.7° |
| CAK | CAI | CAH | HAI | 180.0° | 179.9° |
| CAK | CAI | CAH | CAJ | 0.2° | 0.1° |
| CAI | CAK | CAQ | CAL | 0.1° | 0.1° |
| CAI | CAK | CAQ | CAM | 179.5° | 180.0° |
| CAK | CAI | CAH | HAH | 179.8° | 180.0° |
| CAQ | CAK | CAI | CAH | 0.3° | 0.0° |
| CAK | CAQ | CAL | CAJ | 0.1° | 0.1° |
| CAK | CAQ | CAL | CAM | 179.6° | 179.9° |
| CAK | CAQ | CAM | CAR | 101.1° | 90.0° |
| CAQ | CAK | CAI | HAI | 179.7° | 180.0° |
| CAK | CAQ | CAL | HAL | 179.9° | 180.0° |
| CAK | CAQ | CAM | HAM1 | 19.0° | 150.0° |
| CAK | CAQ | CAM | HAM2 | 138.8° | 30.0° |
| CAI | CAH | CAJ | HAH | 180.0° | 179.9° |
| CAI | CAH | CAJ | CAL | 0.1° | 0.1° |
| CAH | CAI | CAK | HAK | 179.7° | 179.8° |
| CAI | CAH | CAJ | HAJ | 180.0° | 180.0° |
| CAH | CAJ | CAL | HAJ | 180.0° | 179.9° |
| CAH | CAJ | CAL | CAQ | 0.1° | 0.0° |
| CAJ | CAH | CAI | HAI | 179.8° | 180.0° |
| CAH | CAJ | CAL | HAL | 179.9° | 179.9° |
| CAJ | CAL | CAQ | HAL | 180.0° | 179.9° |
| CAJ | CAL | CAQ | CAM | 179.7° | 180.0° |
| CAL | CAJ | CAH | HAH | 179.9° | 179.9° |
| CAL | CAQ | CAM | CAR | 79.3° | 90.1° |
| CAL | CAQ | CAK | HAK | 179.9° | 179.7° |
| CAQ | CAL | CAJ | HAJ | 179.9° | 179.9° |
| CAL | CAQ | CAM | HAM1 | 160.6° | 29.9° |
| CAL | CAQ | CAM | HAM2 | 40.9° | 149.9° |
| CAQ | CAM | CAR | HAM1 | 120.1° | 120.0° |
| CAQ | CAM | CAR | HAM2 | 120.1° | 120.0° |
| CAQ | CAM | CAR | OAC | 156.1° | 65.0° |
| CAQ | CAM | CAR | CAP | 79.4° | 175.0° |
| CAM | CAQ | CAK | HAK | 0.5° | 0.2° |
| CAM | CAQ | CAL | HAL | 0.3° | 0.1° |
| CAQ | CAM | HAM1 | HAM2 | 119.6° | 120.0° |
| CAQ | CAM | CAR | HAR | 38.6° | 55.0° |
| CAM | CAR | OAC | CAP | 122.2° | 120.0° |
| CAM | CAR | OAC | HAR | 116.9° | 120.1° |
| CAM | CAR | CAP | HAR | 117.0° | 120.0° |
| CAM | CAR | CAP | CAG | 95.7° | 3.5° |
| CAM | CAR | CAP | CAT | 82.6° | 176.3° |
| CAR | CAM | HAM1 | HAM2 | 119.7° | 120.0° |
| CAM | CAR | OAC | HAC | 180.0° | 64.3° |
| OAC | CAR | CAP | HAR | 120.6° | 119.9° |
| OAC | CAR | CAP | CAG | 141.9° | 123.5° |
| OAC | CAR | CAP | CAT | 39.8° | 56.2° |
| OAC | CAR | CAM | HAM1 | 83.8° | 175.0° |
| OAC | CAR | CAM | HAM2 | 35.9° | 54.9° |
| CAR | CAP | CAG | CAT | 178.3° | 179.8° |
| CAR | CAP | CAG | CAU | 178.9° | 179.5° |
| CAR | CAP | CAT | CAS | 162.1° | 162.7° |
| CAR | CAP | CAT | OAE | 43.5° | 42.7° |
| CAP | CAR | CAM | HAM1 | 40.8° | 55.0° |
| CAP | CAR | CAM | HAM2 | 160.5° | 65.0° |
| CAP | CAR | OAC | HAC | 57.8° | 55.7° |
| CAR | CAP | CAG | HAG | 1.1° | 0.4° |
| CAR | CAP | CAT | HAT | 78.1° | 76.9° |
| CAP | CAG | CAU | HAG | 180.0° | 180.0° |
| CAP | CAG | CAU | CAO | 135.3° | 137.3° |
| CAP | CAG | CAU | OAF | 107.5° | 103.0° |
| CAP | CAG | CAU | CAN | 13.7° | 17.1° |
| CAG | CAP | CAT | CAS | 19.7° | 17.5° |
| CAG | CAP | CAT | OAE | 138.2° | 137.6° |
| CAG | CAP | CAR | HAR | 21.3° | 116.5° |
| CAG | CAP | CAT | HAT | 100.2° | 102.8° |
| CAT | CAP | CAG | CAU | 0.6° | 0.7° |
| CAP | CAT | CAS | CAN | 51.1° | 49.8° |
| CAP | CAT | CAS | OAD | 170.9° | 169.3° |
| CAP | CAT | CAS | OAE | 121.6° | 120.1° |
| CAP | CAT | CAS | HAT | 120.8° | 120.2° |
| CAP | CAT | OAE | HAT | 121.8° | 119.6° |
| CAT | CAP | CAR | HAR | 160.4° | 63.7° |
| CAT | CAP | CAG | HAG | 179.4° | 179.3° |
| CAP | CAT | CAS | HAS | 69.0° | 70.1° |
| CAP | CAT | OAE | HAE | 180.0° | 65.9° |
| CAG | CAU | CAO | OAF | 117.5° | 119.7° |
| CAG | CAU | CAO | CAN | 123.5° | 120.7° |
| CAG | CAU | OAF | CAN | 123.6° | 120.6° |
| CAG | CAU | CAO | OAB | 106.2° | 85.0° |
| CAG | CAU | CAO | OAA | 72.3° | 95.0° |
| CAG | CAU | CAN | CAS | 43.9° | 49.5° |
| CAG | CAU | OAF | HAF | 96.2° | 60.0° |
| CAG | CAU | CAN | HAN1 | 163.7° | 169.1° |
| CAG | CAU | CAN | HAN2 | 75.8° | 70.3° |
| CAO | CAU | OAF | CAN | 119.7° | 119.6° |
| CAU | CAO | OAB | OAA | 178.4° | 179.9° |
| CAO | CAU | CAN | CAS | 164.2° | 169.7° |
| CAO | CAU | CAG | HAG | 44.7° | 42.7° |
| CAO | CAU | OAF | HAF | 20.5° | 59.8° |
| CAO | CAU | CAN | HAN1 | 76.0° | 70.7° |
| CAO | CAU | CAN | HAN2 | 44.5° | 49.9° |
| CAU | CAO | OAB | HAB | 178.4° | 180.0° |
| OAF | CAU | CAO | OAB | 136.3° | 34.8° |
| OAF | CAU | CAO | OAA | 45.2° | 145.3° |
| OAF | CAU | CAN | CAS | 77.1° | 70.7° |
| OAF | CAU | CAG | HAG | 72.5° | 77.0° |
| OAF | CAU | CAN | HAN1 | 42.6° | 49.0° |
| OAF | CAU | CAN | HAN2 | 163.1° | 169.6° |
| CAN | CAU | CAO | OAB | 17.3° | 154.4° |
| CAN | CAU | CAO | OAA | 164.2° | 25.7° |
| CAU | CAN | CAS | HAN1 | 119.8° | 119.6° |
| CAU | CAN | CAS | HAN2 | 119.8° | 119.8° |
| CAU | CAN | CAS | OAD | 178.1° | 172.9° |
| CAU | CAN | CAS | CAT | 63.6° | 67.6° |
| CAN | CAU | CAG | HAG | 166.4° | 162.9° |
| CAN | CAU | OAF | HAF | 140.2° | 179.4° |
| CAU | CAN | HAN1 | HAN2 | 120.7° | 120.5° |
| CAU | CAN | CAS | HAS | 56.6° | 52.4° |
| OAA | CAO | OAB | HAB | 0.0° | 0.1° |
| CAN | CAS | OAD | CAT | 119.6° | 118.7° |
| CAN | CAS | OAD | HAS | 120.9° | 120.5° |
| CAN | CAS | CAT | HAS | 120.1° | 119.8° |
| CAN | CAS | CAT | OAE | 172.7° | 169.9° |
| CAN | CAS | CAT | HAT | 69.7° | 70.5° |
| CAS | CAN | HAN1 | HAN2 | 120.7° | 120.5° |
| CAN | CAS | OAD | HAD | 180.0° | 60.0° |
| OAD | CAS | CAT | HAS | 120.1° | 120.6° |
| OAD | CAS | CAT | OAE | 67.5° | 70.6° |
| OAD | CAS | CAT | HAT | 50.1° | 49.1° |
| OAD | CAS | CAN | HAN1 | 58.4° | 53.2° |
| OAD | CAS | CAN | HAN2 | 62.1° | 67.4° |
| CAS | CAT | OAE | HAT | 116.7° | 119.8° |
| CAT | CAS | CAN | HAN1 | 176.7° | 172.8° |
| CAT | CAS | CAN | HAN2 | 56.2° | 52.2° |
| CAT | CAS | OAD | HAD | 60.4° | 178.7° |
| CAS | CAT | OAE | HAE | 58.6° | 173.6° |
| OAE | CAT | CAS | HAS | 52.6° | 50.0° |
| HAK | CAK | CAI | HAI | 0.3° | 0.3° |
| HAI | CAI | CAH | HAH | 0.2° | 0.1° |
| HAH | CAH | CAJ | HAJ | 0.0° | 0.1° |
| HAJ | CAJ | CAL | HAL | 0.2° | 0.0° |
| HAM1 | CAM | CAR | HAR | 158.7° | 64.9° |
| HAM2 | CAM | CAR | HAR | 81.5° | 175.0° |
| HAR | CAR | OAC | HAC | 63.2° | 175.6° |
| HAT | CAT | CAS | HAS | 170.2° | 169.7° |
| HAT | CAT | OAE | HAE | 58.2° | 53.7° |
| HAN1 | CAN | CAS | HAS | 63.2° | 67.2° |
| HAN2 | CAN | CAS | HAS | 176.3° | 172.2° |
| HAS | CAS | OAD | HAD | 59.0° | 60.4° |
