N3P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAF | CAG | sing | 1.39Å | 1.39Å | Aromatic |
| CAF | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.09Å | 1.08Å | |
| CAG | CAM | doub | 1.40Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.09Å | 1.08Å | |
| CAH | CAJ | sing | 1.40Å | 1.39Å | Aromatic |
| CAH | CAS | doub | 1.39Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.09Å | 1.08Å | |
| CAI | CAK | doub | 1.39Å | 1.39Å | Aromatic |
| CAI | CAS | sing | 1.40Å | 1.39Å | Aromatic |
| CAI | HAI | sing | 1.09Å | 1.08Å | |
| CAJ | CAT | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | HAJ | sing | 1.09Å | 1.08Å | |
| CAK | CAT | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | HAK | sing | 1.09Å | 1.08Å | |
| CAL | CAW | sing | 1.40Å | 1.39Å | Aromatic |
| CAL | HAL | sing | 1.09Å | 1.08Å | |
| CAM | CAX | sing | 1.40Å | 1.39Å | Aromatic |
| CAM | HAM | sing | 1.09Å | 1.08Å | |
| CAN | CAW | doub | 1.40Å | 1.39Å | Aromatic |
| CAN | CAU | sing | 1.39Å | 1.39Å | Aromatic |
| CAN | HAN | sing | 1.09Å | 1.08Å | |
| CAO | CAX | doub | 1.40Å | 1.39Å | Aromatic |
| CAO | CAV | sing | 1.40Å | 1.39Å | Aromatic |
| CAO | HAO | sing | 1.09Å | 1.08Å | |
| CAR | OAA | doub | 1.24Å | 1.23Å | |
| CAR | CAV | sing | 1.46Å | 1.53Å | |
| CAR | NAP | sing | 1.40Å | 1.33Å | |
| CAS | CLA | sing | 1.72Å | 1.73Å | |
| CAT | NAP | sing | 1.42Å | 1.33Å | |
| CAU | CAV | doub | 1.39Å | 1.39Å | Aromatic |
| CAU | OAQ | sing | 1.36Å | 1.36Å | |
| CAW | CAX | sing | 1.42Å | 1.39Å | Aromatic |
| NAP | HNAP | sing | 1.02Å | 1.00Å | |
| OAB | PAY | doub | 1.50Å | 1.48Å | |
| OAC | PAY | sing | 1.62Å | 1.61Å | |
| OAC | HOAC | sing | 0.98Å | 0.95Å | |
| OAD | PAY | sing | 1.62Å | 1.61Å | |
| OAD | HOAD | sing | 0.98Å | 0.95Å | |
| OAQ | PAY | sing | 1.62Å | 1.61Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAG | CAF | CAL | 119.9° | 120.0° |
| CAG | CAF | HAF | 120.0° | 120.0° |
| CAF | CAG | CAM | 120.1° | 120.0° |
| CAF | CAG | HAG | 120.0° | 120.0° |
| CAL | CAF | HAF | 120.0° | 120.0° |
| CAF | CAL | CAW | 120.1° | 120.7° |
| CAF | CAL | HAL | 120.0° | 118.8° |
| CAM | CAG | HAG | 120.0° | 120.0° |
| CAG | CAM | CAX | 120.0° | 120.7° |
| CAG | CAM | HAM | 120.0° | 118.8° |
| CAJ | CAH | CAS | 120.1° | 120.1° |
| CAJ | CAH | HAH | 120.0° | 119.2° |
| CAH | CAJ | CAT | 120.3° | 119.1° |
| CAH | CAJ | HAJ | 119.8° | 119.4° |
| CAS | CAH | HAH | 120.0° | 120.8° |
| CAH | CAS | CAI | 119.8° | 120.0° |
| CAH | CAS | CLA | 120.1° | 120.0° |
| CAK | CAI | CAS | 120.0° | 120.0° |
| CAK | CAI | HAI | 120.0° | 119.2° |
| CAI | CAK | CAT | 120.5° | 119.2° |
| CAI | CAK | HAK | 119.7° | 119.4° |
| CAS | CAI | HAI | 120.0° | 120.8° |
| CAI | CAS | CLA | 120.0° | 120.0° |
| CAT | CAJ | HAJ | 119.8° | 121.5° |
| CAJ | CAT | CAK | 119.3° | 121.7° |
| CAJ | CAT | NAP | 122.3° | 119.2° |
| CAT | CAK | HAK | 119.8° | 121.4° |
| CAK | CAT | NAP | 118.4° | 119.2° |
| CAW | CAL | HAL | 120.0° | 120.5° |
| CAL | CAW | CAN | 120.2° | 121.5° |
| CAL | CAW | CAX | 119.9° | 119.3° |
| CAX | CAM | HAM | 120.0° | 120.5° |
| CAM | CAX | CAO | 120.1° | 121.4° |
| CAM | CAX | CAW | 120.1° | 119.3° |
| CAW | CAN | CAU | 120.2° | 120.7° |
| CAW | CAN | HAN | 119.9° | 120.1° |
| CAN | CAW | CAX | 119.9° | 119.3° |
| CAU | CAN | HAN | 119.9° | 119.2° |
| CAN | CAU | CAV | 119.8° | 120.1° |
| CAN | CAU | OAQ | 121.5° | 119.0° |
| CAX | CAO | CAV | 120.1° | 120.7° |
| CAX | CAO | HAO | 120.0° | 119.9° |
| CAO | CAX | CAW | 119.9° | 119.3° |
| CAV | CAO | HAO | 119.9° | 119.4° |
| CAO | CAV | CAR | 119.9° | 119.1° |
| CAO | CAV | CAU | 120.1° | 120.0° |
| OAA | CAR | CAV | 120.9° | 121.6° |
| OAA | CAR | NAP | 124.5° | 123.4° |
| CAV | CAR | NAP | 114.6° | 115.0° |
| CAR | CAV | CAU | 120.0° | 120.9° |
| CAR | NAP | CAT | 125.0° | 128.3° |
| CAR | NAP | HNAP | 117.5° | 115.8° |
| CAT | NAP | HNAP | 117.5° | 115.8° |
| CAV | CAU | OAQ | 118.6° | 120.9° |
| CAU | OAQ | PAY | 113.3° | 125.1° |
| OAB | PAY | OAC | 111.8° | 115.7° |
| OAB | PAY | OAD | 112.8° | 114.4° |
| OAB | PAY | OAQ | 112.8° | 115.3° |
| PAY | OAC | HOAC | 109.5° | 118.9° |
| OAC | PAY | OAD | 106.8° | 102.9° |
| OAC | PAY | OAQ | 106.2° | 104.2° |
| PAY | OAD | HOAD | 109.5° | 118.9° |
| OAD | PAY | OAQ | 106.1° | 102.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAG | CAF | CAL | HAF | 180.0° | 180.0° |
| CAF | CAG | CAM | HAG | 180.0° | 180.0° |
| CAG | CAF | CAL | CAW | 0.1° | 0.1° |
| CAG | CAF | CAL | HAL | 179.9° | 179.9° |
| CAF | CAG | CAM | CAX | 0.1° | 0.0° |
| CAF | CAG | CAM | HAM | 179.9° | 180.0° |
| CAL | CAF | CAG | CAM | 0.2° | 0.0° |
| CAL | CAF | CAG | HAG | 179.8° | 180.0° |
| CAF | CAL | CAW | HAL | 180.0° | 179.9° |
| CAF | CAL | CAW | CAN | 179.9° | 180.0° |
| CAF | CAL | CAW | CAX | 0.0° | 0.1° |
| HAF | CAF | CAG | CAM | 179.8° | 180.0° |
| HAF | CAF | CAG | HAG | 0.2° | 0.0° |
| HAF | CAF | CAL | CAW | 179.9° | 180.0° |
| HAF | CAF | CAL | HAL | 0.1° | 0.1° |
| CAG | CAM | CAX | HAM | 180.0° | 180.0° |
| CAG | CAM | CAX | CAO | 179.9° | 180.0° |
| CAG | CAM | CAX | CAW | 0.0° | 0.1° |
| HAG | CAG | CAM | CAX | 179.9° | 180.0° |
| HAG | CAG | CAM | HAM | 0.1° | 0.1° |
| CAJ | CAH | CAS | HAH | 180.0° | 180.0° |
| CAJ | CAH | CAS | CAI | 0.0° | 0.0° |
| CAH | CAJ | CAT | HAJ | 180.0° | 180.0° |
| CAH | CAJ | CAT | CAK | 0.1° | 0.0° |
| CAJ | CAH | CAS | CLA | 179.9° | 180.0° |
| CAH | CAJ | CAT | NAP | 179.4° | 180.0° |
| CAH | CAS | CAI | CAK | 0.0° | 0.0° |
| CAH | CAS | CAI | CLA | 179.8° | 180.0° |
| CAH | CAS | CAI | HAI | 180.0° | 180.0° |
| CAS | CAH | CAJ | CAT | 0.1° | 0.0° |
| CAS | CAH | CAJ | HAJ | 179.9° | 180.0° |
| HAH | CAH | CAS | CAI | 180.0° | 180.0° |
| HAH | CAH | CAJ | CAT | 179.9° | 180.0° |
| HAH | CAH | CAJ | HAJ | 0.1° | 0.0° |
| HAH | CAH | CAS | CLA | 0.1° | 0.0° |
| CAK | CAI | CAS | HAI | 180.0° | 180.0° |
| CAI | CAK | CAT | CAJ | 0.1° | 0.0° |
| CAI | CAK | CAT | HAK | 180.0° | 180.0° |
| CAK | CAI | CAS | CLA | 179.8° | 180.0° |
| CAI | CAK | CAT | NAP | 179.4° | 180.0° |
| CAS | CAI | CAK | CAT | 0.0° | 0.0° |
| CAS | CAI | CAK | HAK | 179.9° | 180.0° |
| HAI | CAI | CAK | CAT | 180.0° | 180.0° |
| HAI | CAI | CAK | HAK | 0.1° | 0.0° |
| HAI | CAI | CAS | CLA | 0.2° | 0.0° |
| CAJ | CAT | CAK | NAP | 179.4° | 180.0° |
| CAJ | CAT | CAK | HAK | 179.9° | 180.0° |
| CAJ | CAT | NAP | CAR | 0.5° | 0.0° |
| CAJ | CAT | NAP | HNAP | 179.4° | 179.9° |
| HAJ | CAJ | CAT | CAK | 179.9° | 180.0° |
| HAJ | CAJ | CAT | NAP | 0.5° | 0.0° |
| CAK | CAT | NAP | CAR | 178.8° | 180.0° |
| CAK | CAT | NAP | HNAP | 1.2° | 0.1° |
| HAK | CAK | CAT | NAP | 0.5° | 0.1° |
| CAL | CAW | CAX | CAM | 0.0° | 0.1° |
| CAL | CAW | CAN | CAX | 179.9° | 179.9° |
| CAL | CAW | CAN | CAU | 180.0° | 180.0° |
| CAL | CAW | CAN | HAN | 0.0° | 0.1° |
| CAL | CAW | CAX | CAO | 179.9° | 180.0° |
| HAL | CAL | CAW | CAN | 0.1° | 0.1° |
| HAL | CAL | CAW | CAX | 180.0° | 180.0° |
| CAM | CAX | CAW | CAN | 179.9° | 180.0° |
| CAM | CAX | CAO | CAW | 179.9° | 179.9° |
| CAM | CAX | CAO | CAV | 179.9° | 180.0° |
| CAM | CAX | CAO | HAO | 0.1° | 0.1° |
| HAM | CAM | CAX | CAO | 0.1° | 0.1° |
| HAM | CAM | CAX | CAW | 180.0° | 180.0° |
| CAW | CAN | CAU | HAN | 180.0° | 180.0° |
| CAN | CAW | CAX | CAO | 0.2° | 0.1° |
| CAW | CAN | CAU | CAV | 0.1° | 0.0° |
| CAW | CAN | CAU | OAQ | 176.8° | 180.0° |
| CAN | CAU | CAV | CAO | 0.3° | 0.0° |
| CAN | CAU | CAV | CAR | 178.8° | 180.0° |
| CAN | CAU | CAV | OAQ | 176.7° | 180.0° |
| CAU | CAN | CAW | CAX | 0.1° | 0.0° |
| CAN | CAU | OAQ | PAY | 58.3° | 0.0° |
| HAN | CAN | CAU | CAV | 179.8° | 180.0° |
| HAN | CAN | CAU | OAQ | 3.2° | 0.0° |
| HAN | CAN | CAW | CAX | 179.9° | 180.0° |
| CAX | CAO | CAV | HAO | 180.0° | 180.0° |
| CAX | CAO | CAV | CAR | 178.8° | 180.0° |
| CAX | CAO | CAV | CAU | 0.3° | 0.0° |
| CAO | CAV | CAR | OAA | 22.7° | 31.8° |
| CAO | CAV | CAR | CAU | 179.1° | 180.0° |
| CAO | CAV | CAR | NAP | 157.7° | 150.0° |
| CAO | CAV | CAU | OAQ | 177.1° | 180.0° |
| CAV | CAO | CAX | CAW | 0.0° | 0.1° |
| HAO | CAO | CAV | CAR | 1.2° | 0.0° |
| HAO | CAO | CAV | CAU | 179.8° | 180.0° |
| HAO | CAO | CAX | CAW | 180.0° | 180.0° |
| OAA | CAR | CAV | NAP | 179.7° | 178.2° |
| OAA | CAR | NAP | CAT | 0.2° | 0.0° |
| OAA | CAR | CAV | CAU | 158.2° | 148.2° |
| OAA | CAR | NAP | HNAP | 179.8° | 180.0° |
| CAV | CAR | NAP | CAT | 179.5° | 178.2° |
| CAR | CAV | CAU | OAQ | 2.0° | 0.0° |
| CAV | CAR | NAP | HNAP | 0.5° | 1.9° |
| CAR | NAP | CAT | HNAP | 180.0° | 179.9° |
| NAP | CAR | CAV | CAU | 21.4° | 30.0° |
| CAV | CAU | OAQ | PAY | 125.0° | 180.0° |
| CAU | OAQ | PAY | OAB | 36.2° | 60.0° |
| CAU | OAQ | PAY | OAC | 159.0° | 67.8° |
| CAU | OAQ | PAY | OAD | 87.7° | 174.9° |
| OAB | PAY | OAC | OAD | 123.7° | 125.5° |
| OAB | PAY | OAC | OAQ | 123.4° | 127.6° |
| OAB | PAY | OAC | HOAC | 0.8° | 48.7° |
| OAB | PAY | OAD | OAQ | 123.9° | 125.7° |
| OAB | PAY | OAD | HOAD | 28.4° | 47.5° |
| OAC | PAY | OAD | OAQ | 113.0° | 108.0° |
| OAC | PAY | OAD | HOAD | 151.6° | 78.8° |
| HOAC | OAC | PAY | OAD | 122.9° | 76.8° |
| HOAC | OAC | PAY | OAQ | 124.2° | 176.4° |
| HOAD | OAD | PAY | OAQ | 95.5° | 173.2° |
