N8N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAJ | CAO | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAP | doub | 1.39Å | 1.39Å | Aromatic |
| CAO | CL | sing | 1.74Å | 1.73Å | |
| CAO | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAG | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| CAE | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAH | CAP | sing | 1.39Å | 1.40Å | Aromatic |
| CAP | NAS | sing | 1.40Å | 1.34Å | |
| NAS | CAN | sing | 1.33Å | 1.35Å | |
| NAS | CAR | sing | 1.47Å | 1.49Å | |
| CAN | OAA | doub | 1.21Å | 1.23Å | |
| CAN | CAK | sing | 1.52Å | 1.55Å | |
| CAK | SAM | sing | 1.84Å | 1.83Å | |
| SAM | CAR | sing | 1.84Å | 1.83Å | |
| CAR | CAQ | sing | 1.51Å | 1.54Å | |
| CAQ | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAQ | NAL | doub | 1.32Å | 1.36Å | Aromatic |
| CAI | CAD | doub | 1.39Å | 1.39Å | Aromatic |
| CAD | CAC | sing | 1.39Å | 1.39Å | Aromatic |
| CAC | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | NAL | sing | 1.32Å | 1.32Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | sing | 1.09Å | 1.10Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAO | CAJ | CAP | 120.6° | 119.9° |
| CAJ | CAO | CL | 119.3° | 119.9° |
| CAJ | CAO | CAG | 120.2° | 120.0° |
| CAO | CAJ | HAJ | 119.7° | 120.0° |
| CAJ | CAP | CAH | 119.1° | 119.9° |
| CAJ | CAP | NAS | 120.3° | 120.1° |
| CAP | CAJ | HAJ | 119.7° | 120.1° |
| CL | CAO | CAG | 120.5° | 120.0° |
| CAO | CAG | CAE | 119.6° | 120.1° |
| CAO | CAG | HAG | 120.2° | 119.9° |
| CAG | CAE | CAH | 119.8° | 120.1° |
| CAE | CAG | HAG | 120.2° | 119.9° |
| CAG | CAE | HAE | 120.1° | 119.9° |
| CAE | CAH | CAP | 120.5° | 120.0° |
| CAH | CAE | HAE | 120.1° | 120.0° |
| CAE | CAH | HAH | 119.8° | 120.0° |
| CAH | CAP | NAS | 120.3° | 120.0° |
| CAP | CAH | HAH | 119.7° | 120.0° |
| CAP | NAS | CAN | 127.7° | 121.0° |
| CAP | NAS | CAR | 114.9° | 121.0° |
| CAN | NAS | CAR | 116.6° | 117.9° |
| NAS | CAN | OAA | 124.3° | 121.8° |
| NAS | CAN | CAK | 115.7° | 116.4° |
| NAS | CAR | SAM | 104.9° | 103.2° |
| NAS | CAR | CAQ | 107.6° | 110.6° |
| NAS | CAR | HAR | 111.5° | 110.8° |
| OAA | CAN | CAK | 119.9° | 121.8° |
| CAN | CAK | SAM | 103.5° | 102.2° |
| CAN | CAK | HAK1 | 110.9° | 110.9° |
| CAN | CAK | HAK2 | 110.9° | 110.8° |
| CAK | SAM | CAR | 95.1° | 94.2° |
| SAM | CAK | HAK1 | 110.9° | 110.9° |
| SAM | CAK | HAK2 | 110.9° | 110.8° |
| SAM | CAR | CAQ | 114.4° | 110.7° |
| SAM | CAR | HAR | 107.4° | 110.6° |
| CAR | CAQ | CAI | 118.0° | 119.6° |
| CAR | CAQ | NAL | 121.6° | 119.6° |
| CAQ | CAR | HAR | 110.9° | 110.7° |
| CAI | CAQ | NAL | 120.4° | 120.8° |
| CAQ | CAI | CAD | 120.6° | 119.2° |
| CAQ | CAI | HAI | 119.7° | 120.5° |
| CAQ | NAL | CAF | 120.6° | 121.8° |
| CAI | CAD | CAC | 117.1° | 118.4° |
| CAD | CAI | HAI | 119.7° | 120.4° |
| CAI | CAD | HAD | 121.5° | 120.8° |
| CAD | CAC | CAF | 120.3° | 119.2° |
| CAC | CAD | HAD | 121.5° | 120.8° |
| CAD | CAC | HAC | 119.9° | 120.4° |
| CAC | CAF | NAL | 121.2° | 120.7° |
| CAF | CAC | HAC | 119.8° | 120.4° |
| CAC | CAF | HAF | 119.4° | 119.6° |
| NAL | CAF | HAF | 119.4° | 119.6° |
| HAK1 | CAK | HAK2 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAO | CAJ | CAP | HAJ | 180.0° | 179.8° |
| CAJ | CAO | CL | CAG | 179.2° | 180.0° |
| CAJ | CAO | CAG | CAE | 0.9° | 0.0° |
| CAO | CAJ | CAP | CAH | 3.7° | 0.0° |
| CAO | CAJ | CAP | NAS | 177.1° | 180.0° |
| CAJ | CAO | CAG | HAG | 179.1° | 179.9° |
| CAP | CAJ | CAO | CL | 178.8° | 180.0° |
| CAP | CAJ | CAO | CAG | 2.0° | 0.0° |
| CAJ | CAP | CAH | CAE | 4.4° | 0.1° |
| CAJ | CAP | CAH | NAS | 173.4° | 180.0° |
| CAJ | CAP | NAS | CAN | 48.1° | 113.6° |
| CAJ | CAP | NAS | CAR | 121.4° | 66.6° |
| CAJ | CAP | CAH | HAH | 175.6° | 179.9° |
| CL | CAO | CAG | CAE | 179.8° | 180.0° |
| CL | CAO | CAJ | HAJ | 1.2° | 0.2° |
| CL | CAO | CAG | HAG | 0.2° | 0.0° |
| CAO | CAG | CAE | HAG | 180.0° | 180.0° |
| CAO | CAG | CAE | CAH | 1.6° | 0.0° |
| CAG | CAO | CAJ | HAJ | 178.0° | 179.8° |
| CAO | CAG | CAE | HAE | 178.4° | 180.0° |
| CAG | CAE | CAH | HAE | 180.0° | 180.0° |
| CAG | CAE | CAH | CAP | 3.4° | 0.1° |
| CAG | CAE | CAH | HAH | 176.6° | 179.9° |
| CAE | CAH | CAP | HAH | 180.0° | 180.0° |
| CAE | CAH | CAP | NAS | 177.8° | 179.9° |
| CAH | CAE | CAG | HAG | 178.4° | 180.0° |
| CAH | CAP | NAS | CAN | 138.6° | 66.4° |
| CAH | CAP | NAS | CAR | 51.9° | 113.4° |
| CAH | CAP | CAJ | HAJ | 176.3° | 179.8° |
| CAP | CAH | CAE | HAE | 176.6° | 179.9° |
| CAP | NAS | CAN | CAR | 169.3° | 179.8° |
| CAP | NAS | CAN | OAA | 8.0° | 0.3° |
| CAP | NAS | CAN | CAK | 174.8° | 179.7° |
| CAP | NAS | CAR | SAM | 172.1° | 163.3° |
| CAP | NAS | CAR | CAQ | 65.7° | 44.9° |
| NAS | CAP | CAJ | HAJ | 2.9° | 0.2° |
| NAS | CAP | CAH | HAH | 2.2° | 0.0° |
| CAP | NAS | CAR | HAR | 56.1° | 78.3° |
| NAS | CAN | OAA | CAK | 177.1° | 180.0° |
| NAS | CAN | CAK | SAM | 9.1° | 16.2° |
| CAN | NAS | CAR | SAM | 17.2° | 16.5° |
| CAN | NAS | CAR | CAQ | 104.9° | 134.9° |
| CAN | NAS | CAR | HAR | 133.2° | 101.9° |
| NAS | CAN | CAK | HAK1 | 128.2° | 102.1° |
| NAS | CAN | CAK | HAK2 | 109.9° | 134.3° |
| CAR | NAS | CAN | OAA | 177.3° | 179.9° |
| CAR | NAS | CAN | CAK | 5.5° | 0.1° |
| NAS | CAR | SAM | CAK | 19.0° | 21.7° |
| NAS | CAR | SAM | CAQ | 117.7° | 118.4° |
| NAS | CAR | SAM | HAR | 118.8° | 118.5° |
| NAS | CAR | CAQ | HAR | 122.3° | 123.2° |
| NAS | CAR | CAQ | CAI | 105.4° | 143.6° |
| NAS | CAR | CAQ | NAL | 73.5° | 36.1° |
| OAA | CAN | CAK | SAM | 168.2° | 163.8° |
| OAA | CAN | CAK | HAK1 | 49.2° | 77.9° |
| OAA | CAN | CAK | HAK2 | 72.7° | 45.7° |
| CAN | CAK | SAM | HAK1 | 119.1° | 118.2° |
| CAN | CAK | SAM | HAK2 | 119.1° | 118.1° |
| CAN | CAK | SAM | CAR | 16.1° | 21.4° |
| CAN | CAK | HAK1 | HAK2 | 122.8° | 123.6° |
| CAK | SAM | CAR | CAQ | 98.6° | 140.1° |
| CAK | SAM | CAR | HAR | 137.8° | 96.8° |
| SAM | CAK | HAK1 | HAK2 | 122.7° | 123.6° |
| SAM | CAR | CAQ | HAR | 121.7° | 123.0° |
| SAM | CAR | CAQ | CAI | 138.5° | 29.8° |
| SAM | CAR | CAQ | NAL | 42.6° | 149.9° |
| CAR | SAM | CAK | HAK1 | 135.2° | 96.8° |
| CAR | SAM | CAK | HAK2 | 102.9° | 139.5° |
| CAR | CAQ | CAI | NAL | 178.9° | 179.7° |
| CAR | CAQ | CAI | CAD | 178.4° | 180.0° |
| CAR | CAQ | NAL | CAF | 179.4° | 179.8° |
| CAR | CAQ | CAI | HAI | 1.6° | 0.1° |
| CAQ | CAI | CAD | HAI | 180.0° | 180.0° |
| CAQ | CAI | CAD | CAC | 1.2° | 0.0° |
| CAI | CAQ | NAL | CAF | 0.5° | 0.6° |
| CAI | CAQ | CAR | HAR | 16.9° | 93.3° |
| CAQ | CAI | CAD | HAD | 178.8° | 179.9° |
| NAL | CAQ | CAI | CAD | 0.5° | 0.3° |
| CAQ | NAL | CAF | CAC | 0.9° | 0.6° |
| NAL | CAQ | CAR | HAR | 164.3° | 87.1° |
| NAL | CAQ | CAI | HAI | 179.5° | 179.7° |
| CAQ | NAL | CAF | HAF | 179.0° | 179.7° |
| CAI | CAD | CAC | HAD | 180.0° | 180.0° |
| CAI | CAD | CAC | CAF | 0.8° | 0.0° |
| CAI | CAD | CAC | HAC | 179.2° | 180.0° |
| CAD | CAC | CAF | HAC | 180.0° | 179.9° |
| CAD | CAC | CAF | NAL | 0.2° | 0.3° |
| CAC | CAD | CAI | HAI | 178.8° | 180.0° |
| CAD | CAC | CAF | HAF | 179.7° | 180.0° |
| CAC | CAF | NAL | HAF | 180.0° | 179.7° |
| CAF | CAC | CAD | HAD | 179.2° | 180.0° |
| NAL | CAF | CAC | HAC | 179.8° | 179.8° |
| HAG | CAG | CAE | HAE | 1.6° | 0.0° |
| HAE | CAE | CAH | HAH | 3.4° | 0.1° |
| HAI | CAI | CAD | HAD | 1.2° | 0.0° |
| HAD | CAD | CAC | HAC | 0.8° | 0.0° |
| HAC | CAC | CAF | HAF | 0.3° | 0.1° |
