T1N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| SAK | CAA | sing | 1.81Å | 1.78Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAB | CAQ | sing | 1.53Å | 1.54Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| CAL | OAC | sing | 1.34Å | 1.25Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| OAD | CAL | doub | 1.21Å | 1.25Å | |
| CAG | CAE | doub | 1.36Å | 1.39Å | Aromatic |
| CAE | CAM | sing | 1.40Å | 1.39Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAN | CAF | doub | 1.39Å | 1.40Å | Aromatic |
| CAF | CAH | sing | 1.36Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAP | CAG | sing | 1.41Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | CAO | doub | 1.41Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAO | CAI | sing | 1.40Å | 1.39Å | Aromatic |
| CAI | CAM | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAN | CAJ | sing | 1.36Å | 1.39Å | Aromatic |
| CAJ | CAP | doub | 1.40Å | 1.39Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAM | SAK | sing | 1.76Å | 1.75Å | |
| CAQ | CAL | sing | 1.51Å | 1.54Å | |
| CAQ | CAN | sing | 1.51Å | 1.53Å | |
| CAP | CAO | sing | 1.42Å | 1.40Å | Aromatic |
| CAQ | HAQ | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| SAK | CAA | HAA | 109.5° | 109.5° |
| SAK | CAA | HAAA | 109.5° | 109.5° |
| SAK | CAA | HAAB | 109.5° | 109.4° |
| CAA | SAK | CAM | 107.9° | 103.0° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.4° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| CAQ | CAB | HAB | 109.5° | 109.5° |
| CAQ | CAB | HABA | 109.5° | 109.5° |
| CAQ | CAB | HABB | 109.5° | 109.4° |
| CAB | CAQ | CAL | 111.1° | 109.5° |
| CAB | CAQ | CAN | 112.2° | 109.5° |
| CAB | CAQ | HAQ | 106.0° | 109.5° |
| HAB | CAB | HABA | 109.4° | 109.5° |
| HAB | CAB | HABB | 109.5° | 109.5° |
| HABA | CAB | HABB | 109.5° | 109.5° |
| CAL | OAC | HOAC | 109.5° | 116.9° |
| OAC | CAL | OAD | 125.4° | 120.0° |
| OAC | CAL | CAQ | 117.9° | 120.0° |
| OAD | CAL | CAQ | 116.7° | 120.0° |
| CAG | CAE | CAM | 120.1° | 120.9° |
| CAG | CAE | HAE | 120.0° | 119.6° |
| CAE | CAG | CAP | 119.8° | 119.9° |
| CAE | CAG | HAG | 120.1° | 120.0° |
| CAM | CAE | HAE | 120.0° | 119.6° |
| CAE | CAM | CAI | 120.2° | 120.7° |
| CAE | CAM | SAK | 119.2° | 119.6° |
| CAN | CAF | CAH | 120.1° | 120.9° |
| CAN | CAF | HAF | 119.9° | 119.5° |
| CAF | CAN | CAJ | 120.1° | 121.0° |
| CAF | CAN | CAQ | 121.6° | 119.5° |
| CAH | CAF | HAF | 119.9° | 119.5° |
| CAF | CAH | CAO | 119.7° | 119.7° |
| CAF | CAH | HAH | 120.2° | 120.1° |
| CAP | CAG | HAG | 120.1° | 120.0° |
| CAG | CAP | CAJ | 119.8° | 121.1° |
| CAG | CAP | CAO | 120.3° | 119.6° |
| CAO | CAH | HAH | 120.2° | 120.2° |
| CAH | CAO | CAI | 119.9° | 121.2° |
| CAH | CAO | CAP | 120.3° | 119.4° |
| CAO | CAI | CAM | 119.9° | 119.5° |
| CAO | CAI | HAI | 120.1° | 120.3° |
| CAI | CAO | CAP | 119.8° | 119.4° |
| CAM | CAI | HAI | 120.1° | 120.2° |
| CAI | CAM | SAK | 120.6° | 119.7° |
| CAN | CAJ | CAP | 119.9° | 119.7° |
| CAN | CAJ | HAJ | 120.0° | 120.2° |
| CAJ | CAN | CAQ | 118.4° | 119.5° |
| CAP | CAJ | HAJ | 120.0° | 120.2° |
| CAJ | CAP | CAO | 119.9° | 119.3° |
| CAL | CAQ | CAN | 107.8° | 109.5° |
| CAL | CAQ | HAQ | 110.5° | 109.5° |
| CAN | CAQ | HAQ | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| SAK | CAA | HAA | HAAA | 120.0° | 120.0° |
| SAK | CAA | HAA | HAAB | 120.0° | 119.9° |
| SAK | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | SAK | CAM | CAE | 172.9° | 0.1° |
| CAA | SAK | CAM | CAI | 7.1° | 180.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | SAK | CAM | 180.0° | 60.0° |
| HAAA | CAA | SAK | CAM | 60.0° | 180.0° |
| HAAB | CAA | SAK | CAM | 60.0° | 59.9° |
| CAQ | CAB | HAB | HABA | 120.0° | 120.0° |
| CAQ | CAB | HAB | HABB | 120.0° | 120.0° |
| CAQ | CAB | HABA | HABB | 120.0° | 120.0° |
| CAB | CAQ | CAL | OAC | 49.5° | 60.0° |
| CAB | CAQ | CAL | OAD | 132.5° | 120.0° |
| CAB | CAQ | CAN | CAF | 29.7° | 60.0° |
| CAB | CAQ | CAN | CAJ | 151.4° | 120.1° |
| CAB | CAQ | CAL | CAN | 123.2° | 120.0° |
| CAB | CAQ | CAL | HAQ | 117.3° | 120.0° |
| CAB | CAQ | CAN | HAQ | 117.3° | 120.0° |
| HAB | CAB | HABA | HABB | 120.0° | 120.0° |
| HAB | CAB | CAQ | CAL | 180.0° | 60.0° |
| HAB | CAB | CAQ | CAN | 59.3° | 60.0° |
| HAB | CAB | CAQ | HAQ | 60.0° | NaN° |
| HABA | CAB | CAQ | CAL | 60.0° | 180.0° |
| HABA | CAB | CAQ | CAN | 179.3° | 60.0° |
| HABA | CAB | CAQ | HAQ | 60.0° | 60.0° |
| HABB | CAB | CAQ | CAL | 60.0° | 60.0° |
| HABB | CAB | CAQ | CAN | 60.7° | 180.0° |
| HABB | CAB | CAQ | HAQ | 180.0° | 60.0° |
| OAC | CAL | OAD | CAQ | 177.9° | 180.0° |
| OAC | CAL | CAQ | CAN | 73.8° | 180.0° |
| OAC | CAL | CAQ | HAQ | 166.8° | 60.0° |
| HOAC | OAC | CAL | OAD | 0.0° | 0.0° |
| HOAC | OAC | CAL | CAQ | 177.9° | 180.0° |
| OAD | CAL | CAQ | CAN | 104.3° | 0.0° |
| OAD | CAL | CAQ | HAQ | 15.2° | 120.0° |
| CAG | CAE | CAM | HAE | 180.0° | 179.6° |
| CAE | CAG | CAP | HAG | 180.0° | 179.9° |
| CAG | CAE | CAM | CAI | 0.0° | 0.3° |
| CAE | CAG | CAP | CAJ | 179.9° | 179.9° |
| CAG | CAE | CAM | SAK | 179.9° | 179.7° |
| CAE | CAG | CAP | CAO | 0.1° | 0.0° |
| CAM | CAE | CAG | CAP | 0.0° | 0.1° |
| CAM | CAE | CAG | HAG | 180.0° | 180.0° |
| CAE | CAM | CAI | CAO | 0.0° | 0.5° |
| CAE | CAM | CAI | SAK | 180.0° | 180.0° |
| CAE | CAM | CAI | HAI | 180.0° | 180.0° |
| HAE | CAE | CAG | CAP | 179.9° | 179.7° |
| HAE | CAE | CAG | HAG | 0.1° | 0.4° |
| HAE | CAE | CAM | CAI | 180.0° | 179.9° |
| HAE | CAE | CAM | SAK | 0.1° | 0.1° |
| CAN | CAF | CAH | HAF | 180.0° | 179.5° |
| CAN | CAF | CAH | CAO | 0.8° | 0.5° |
| CAN | CAF | CAH | HAH | 179.1° | 179.4° |
| CAF | CAN | CAJ | CAQ | 178.9° | 179.9° |
| CAF | CAN | CAJ | CAP | 0.6° | 0.1° |
| CAF | CAN | CAJ | HAJ | 179.4° | 179.9° |
| CAF | CAN | CAQ | CAL | 92.9° | 60.0° |
| CAF | CAN | CAQ | HAQ | 147.0° | 180.0° |
| CAF | CAH | CAO | HAH | 180.0° | 179.9° |
| CAF | CAH | CAO | CAI | 179.6° | 180.0° |
| CAH | CAF | CAN | CAJ | 0.9° | 0.3° |
| CAH | CAF | CAN | CAQ | 179.8° | 179.8° |
| CAF | CAH | CAO | CAP | 0.5° | 0.4° |
| HAF | CAF | CAH | CAO | 179.2° | 180.0° |
| HAF | CAF | CAH | HAH | 0.8° | 0.1° |
| HAF | CAF | CAN | CAJ | 179.1° | 179.8° |
| HAF | CAF | CAN | CAQ | 0.2° | 0.3° |
| CAG | CAP | CAO | CAH | 179.9° | 179.8° |
| CAG | CAP | CAO | CAI | 0.1° | 0.2° |
| CAG | CAP | CAJ | CAN | 179.8° | 180.0° |
| CAG | CAP | CAJ | CAO | 180.0° | 180.0° |
| CAG | CAP | CAJ | HAJ | 0.2° | 0.0° |
| HAG | CAG | CAP | CAJ | 0.1° | 0.0° |
| HAG | CAG | CAP | CAO | 179.9° | 180.0° |
| CAH | CAO | CAI | CAP | 180.0° | 179.6° |
| CAH | CAO | CAI | CAM | 179.9° | 179.9° |
| CAH | CAO | CAI | HAI | 0.1° | 0.5° |
| CAH | CAO | CAP | CAJ | 0.1° | 0.1° |
| HAH | CAH | CAO | CAI | 0.4° | 0.1° |
| HAH | CAH | CAO | CAP | 179.5° | 179.5° |
| CAO | CAI | CAM | HAI | 180.0° | 179.5° |
| CAI | CAO | CAP | CAJ | 179.9° | 179.7° |
| CAO | CAI | CAM | SAK | 179.9° | 179.5° |
| CAM | CAI | CAO | CAP | 0.0° | 0.5° |
| HAI | CAI | CAM | SAK | 0.1° | 0.1° |
| HAI | CAI | CAO | CAP | 180.0° | 179.9° |
| CAN | CAJ | CAP | HAJ | 180.0° | 180.0° |
| CAJ | CAN | CAQ | CAL | 86.0° | 119.9° |
| CAN | CAJ | CAP | CAO | 0.2° | 0.0° |
| CAJ | CAN | CAQ | HAQ | 34.1° | 0.1° |
| CAP | CAJ | CAN | CAQ | 179.5° | 179.9° |
| HAJ | CAJ | CAN | CAQ | 0.5° | 0.0° |
| HAJ | CAJ | CAP | CAO | 179.8° | 180.0° |
| CAL | CAQ | CAN | HAQ | 120.1° | 120.0° |
