N6A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAW | CAX | sing | 1.38Å | 1.38Å | Aromatic |
| CAW | CAV | doub | 1.38Å | 1.40Å | Aromatic |
| CAX | CBA | doub | 1.38Å | 1.38Å | Aromatic |
| CBA | CAZ | sing | 1.38Å | 1.36Å | Aromatic |
| CAZ | CAY | doub | 1.38Å | 1.39Å | Aromatic |
| CAY | CAV | sing | 1.38Å | 1.40Å | Aromatic |
| CAV | CAU | sing | 1.51Å | 1.43Å | |
| CAU | NAN | sing | 1.47Å | 1.56Å | |
| NAN | CAO | sing | 1.38Å | 1.38Å | |
| NAN | CAM | sing | 1.35Å | 1.33Å | |
| CAO | NAP | sing | 1.38Å | 1.35Å | |
| CAO | CAF | doub | 1.37Å | 1.40Å | |
| CAM | OAL | doub | 1.22Å | 1.23Å | |
| CAM | NAD | sing | 1.35Å | 1.45Å | |
| NAD | CAE | sing | 1.35Å | 1.41Å | |
| CAE | OAA | doub | 1.22Å | 1.24Å | |
| CAE | CAF | sing | 1.41Å | 1.39Å | |
| CAF | NAG | sing | 1.41Å | 1.33Å | |
| NAG | CAB | sing | 1.47Å | 1.49Å | |
| NAG | SAH | sing | 1.66Å | 1.59Å | |
| SAH | OAQ | doub | 1.42Å | 1.50Å | |
| SAH | OAC | doub | 1.42Å | 1.53Å | |
| SAH | CAI | sing | 1.76Å | 1.75Å | |
| CAI | CAJ | sing | 1.38Å | 1.38Å | Aromatic |
| CAI | CAR | doub | 1.38Å | 1.37Å | Aromatic |
| CAJ | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAT | sing | 1.38Å | 1.38Å | Aromatic |
| CAT | CAS | doub | 1.38Å | 1.39Å | Aromatic |
| CAS | CAR | sing | 1.38Å | 1.38Å | Aromatic |
| CAW | HAW | sing | 1.08Å | 1.08Å | |
| CAX | HAX | sing | 1.08Å | 1.08Å | |
| CBA | HBA | sing | 1.08Å | 1.08Å | |
| CAZ | HAZ | sing | 1.08Å | 1.08Å | |
| CAY | HAY | sing | 1.08Å | 1.08Å | |
| CAU | HAU1 | sing | 1.09Å | 1.10Å | |
| CAU | HAU2 | sing | 1.09Å | 1.10Å | |
| NAP | HAP1 | sing | 0.97Å | 1.00Å | |
| NAP | HAP2 | sing | 0.97Å | 1.00Å | |
| NAD | HAD | sing | 0.97Å | 1.00Å | |
| CAB | HAB1 | sing | 1.09Å | 1.10Å | |
| CAB | HAB2 | sing | 1.09Å | 1.10Å | |
| CAB | HAB3 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAT | HAT | sing | 1.08Å | 1.08Å | |
| CAS | HAS | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAX | CAW | CAV | 122.4° | 120.0° |
| CAW | CAX | CBA | 120.0° | 120.0° |
| CAX | CAW | HAW | 118.8° | 120.1° |
| CAW | CAX | HAX | 120.0° | 120.0° |
| CAW | CAV | CAY | 115.5° | 120.0° |
| CAW | CAV | CAU | 121.8° | 120.0° |
| CAV | CAW | HAW | 118.8° | 120.0° |
| CAX | CBA | CAZ | 119.6° | 120.0° |
| CBA | CAX | HAX | 120.0° | 120.0° |
| CAX | CBA | HBA | 120.2° | 119.9° |
| CBA | CAZ | CAY | 119.9° | 120.0° |
| CAZ | CBA | HBA | 120.2° | 120.1° |
| CBA | CAZ | HAZ | 120.0° | 120.0° |
| CAZ | CAY | CAV | 122.5° | 120.0° |
| CAY | CAZ | HAZ | 120.0° | 119.9° |
| CAZ | CAY | HAY | 118.8° | 120.0° |
| CAY | CAV | CAU | 122.6° | 120.0° |
| CAV | CAY | HAY | 118.7° | 120.0° |
| CAV | CAU | NAN | 114.2° | 109.5° |
| CAV | CAU | HAU1 | 108.3° | 109.5° |
| CAV | CAU | HAU2 | 108.2° | 109.5° |
| CAU | NAN | CAO | 122.9° | 119.8° |
| CAU | NAN | CAM | 118.7° | 119.8° |
| NAN | CAU | HAU1 | 108.3° | 109.4° |
| NAN | CAU | HAU2 | 108.3° | 109.4° |
| CAO | NAN | CAM | 118.4° | 120.3° |
| NAN | CAO | NAP | 122.4° | 120.3° |
| NAN | CAO | CAF | 121.5° | 119.4° |
| NAN | CAM | OAL | 117.0° | 119.5° |
| NAN | CAM | NAD | 122.3° | 121.0° |
| NAP | CAO | CAF | 116.1° | 120.3° |
| CAO | NAP | HAP1 | 109.5° | 120.0° |
| CAO | NAP | HAP2 | 109.5° | 120.0° |
| CAO | CAF | CAE | 121.7° | 119.0° |
| CAO | CAF | NAG | 121.7° | 120.5° |
| OAL | CAM | NAD | 120.7° | 119.5° |
| CAM | NAD | CAE | 119.3° | 120.6° |
| CAM | NAD | HAD | 120.4° | 119.7° |
| NAD | CAE | OAA | 122.0° | 120.2° |
| NAD | CAE | CAF | 116.8° | 119.6° |
| CAE | NAD | HAD | 120.4° | 119.7° |
| OAA | CAE | CAF | 121.2° | 120.2° |
| CAE | CAF | NAG | 116.2° | 120.5° |
| CAF | NAG | CAB | 115.6° | 120.0° |
| CAF | NAG | SAH | 123.1° | 120.0° |
| CAB | NAG | SAH | 120.9° | 120.0° |
| NAG | CAB | HAB1 | 109.5° | 109.4° |
| NAG | CAB | HAB2 | 109.4° | 109.5° |
| NAG | CAB | HAB3 | 109.5° | 109.5° |
| NAG | SAH | OAQ | 106.8° | 106.4° |
| NAG | SAH | OAC | 109.7° | 106.4° |
| NAG | SAH | CAI | 107.6° | 107.2° |
| OAQ | SAH | OAC | 112.2° | 123.1° |
| OAQ | SAH | CAI | 112.5° | 106.4° |
| OAC | SAH | CAI | 108.0° | 106.4° |
| SAH | CAI | CAJ | 120.3° | 120.0° |
| SAH | CAI | CAR | 119.9° | 120.0° |
| CAJ | CAI | CAR | 119.8° | 120.0° |
| CAI | CAJ | CAK | 120.6° | 120.0° |
| CAI | CAJ | HAJ | 119.7° | 120.0° |
| CAI | CAR | CAS | 119.4° | 120.0° |
| CAI | CAR | HAR | 120.3° | 119.9° |
| CAJ | CAK | CAT | 119.9° | 120.0° |
| CAK | CAJ | HAJ | 119.7° | 120.0° |
| CAJ | CAK | HAK | 120.0° | 120.0° |
| CAK | CAT | CAS | 118.7° | 120.0° |
| CAT | CAK | HAK | 120.0° | 120.0° |
| CAK | CAT | HAT | 120.7° | 120.0° |
| CAT | CAS | CAR | 121.5° | 120.0° |
| CAS | CAT | HAT | 120.6° | 120.0° |
| CAT | CAS | HAS | 119.3° | 120.0° |
| CAS | CAR | HAR | 120.3° | 120.0° |
| CAR | CAS | HAS | 119.2° | 120.0° |
| HAU1 | CAU | HAU2 | 109.5° | 109.5° |
| HAP1 | NAP | HAP2 | 109.4° | 120.0° |
| HAB1 | CAB | HAB2 | 109.5° | 109.5° |
| HAB1 | CAB | HAB3 | 109.5° | 109.4° |
| HAB2 | CAB | HAB3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAX | CAW | CAV | HAW | 180.0° | 179.8° |
| CAW | CAX | CBA | HAX | 180.0° | 179.9° |
| CAW | CAX | CBA | CAZ | 0.1° | 0.1° |
| CAX | CAW | CAV | CAY | 0.3° | 0.1° |
| CAX | CAW | CAV | CAU | 179.4° | 179.9° |
| CAW | CAX | CBA | HBA | 179.9° | 180.0° |
| CAV | CAW | CAX | CBA | 0.2° | 0.0° |
| CAW | CAV | CAY | CAZ | 0.4° | 0.1° |
| CAW | CAV | CAY | CAU | 179.1° | 179.9° |
| CAW | CAV | CAU | NAN | 123.5° | 90.0° |
| CAV | CAW | CAX | HAX | 179.8° | 179.9° |
| CAW | CAV | CAY | HAY | 179.6° | 180.0° |
| CAW | CAV | CAU | HAU1 | 2.8° | 150.0° |
| CAW | CAV | CAU | HAU2 | 115.8° | 29.9° |
| CAX | CBA | CAZ | HBA | 180.0° | 179.9° |
| CAX | CBA | CAZ | CAY | 0.2° | 0.1° |
| CBA | CAX | CAW | HAW | 179.9° | 179.8° |
| CAX | CBA | CAZ | HAZ | 179.8° | 180.0° |
| CBA | CAZ | CAY | HAZ | 180.0° | 179.9° |
| CBA | CAZ | CAY | CAV | 0.4° | 0.0° |
| CAZ | CBA | CAX | HAX | 179.9° | 180.0° |
| CBA | CAZ | CAY | HAY | 179.6° | 180.0° |
| CAZ | CAY | CAV | HAY | 180.0° | 179.9° |
| CAZ | CAY | CAV | CAU | 179.5° | 180.0° |
| CAY | CAZ | CBA | HBA | 179.8° | 180.0° |
| CAY | CAV | CAU | NAN | 57.5° | 90.1° |
| CAY | CAV | CAW | HAW | 179.7° | 179.7° |
| CAV | CAY | CAZ | HAZ | 179.6° | 179.9° |
| CAY | CAV | CAU | HAU1 | 178.2° | 29.9° |
| CAY | CAV | CAU | HAU2 | 63.2° | 149.9° |
| CAV | CAU | NAN | HAU1 | 120.7° | 120.0° |
| CAV | CAU | NAN | HAU2 | 120.7° | 120.0° |
| CAV | CAU | NAN | CAO | 90.4° | 90.0° |
| CAV | CAU | NAN | CAM | 90.5° | 90.3° |
| CAU | CAV | CAW | HAW | 0.6° | 0.2° |
| CAU | CAV | CAY | HAY | 0.5° | 0.1° |
| CAV | CAU | HAU1 | HAU2 | 117.8° | 120.1° |
| CAU | NAN | CAO | CAM | 179.1° | 179.7° |
| CAU | NAN | CAO | NAP | 1.5° | 0.0° |
| CAU | NAN | CAO | CAF | 178.4° | 180.0° |
| CAU | NAN | CAM | OAL | 1.2° | 0.0° |
| CAU | NAN | CAM | NAD | 179.9° | 180.0° |
| NAN | CAU | HAU1 | HAU2 | 117.9° | 119.9° |
| NAN | CAO | NAP | CAF | 177.0° | 180.0° |
| CAO | NAN | CAM | OAL | 178.0° | 179.7° |
| CAO | NAN | CAM | NAD | 0.7° | 0.3° |
| NAN | CAO | CAF | CAE | 3.6° | 0.0° |
| NAN | CAO | CAF | NAG | 176.6° | 180.0° |
| CAO | NAN | CAU | HAU1 | 30.3° | 30.0° |
| CAO | NAN | CAU | HAU2 | 148.9° | 149.9° |
| NAN | CAO | NAP | HAP1 | 180.0° | 6.4° |
| NAN | CAO | NAP | HAP2 | 60.0° | 173.7° |
| CAM | NAN | CAO | NAP | 179.3° | 179.7° |
| CAM | NAN | CAO | CAF | 2.5° | 0.3° |
| NAN | CAM | OAL | NAD | 178.7° | 180.0° |
| NAN | CAM | NAD | CAE | 0.1° | 0.0° |
| CAM | NAN | CAU | HAU1 | 148.8° | 149.7° |
| CAM | NAN | CAU | HAU2 | 30.2° | 29.7° |
| NAN | CAM | NAD | HAD | 179.9° | 179.9° |
| NAP | CAO | CAF | CAE | 179.4° | 180.0° |
| NAP | CAO | CAF | NAG | 6.3° | 0.0° |
| CAO | NAP | HAP1 | HAP2 | 120.0° | 179.9° |
| CAO | CAF | CAE | NAD | 2.7° | 0.3° |
| CAO | CAF | CAE | OAA | 177.4° | 180.0° |
| CAO | CAF | CAE | NAG | 173.4° | 180.0° |
| CAO | CAF | NAG | CAB | 99.6° | 48.5° |
| CAO | CAF | NAG | SAH | 87.1° | 131.6° |
| CAF | CAO | NAP | HAP1 | 3.0° | 173.7° |
| CAF | CAO | NAP | HAP2 | 117.0° | 6.3° |
| OAL | CAM | NAD | CAE | 178.7° | 180.0° |
| OAL | CAM | NAD | HAD | 1.3° | 0.1° |
| CAM | NAD | CAE | HAD | 180.0° | 179.9° |
| CAM | NAD | CAE | OAA | 179.2° | 180.0° |
| CAM | NAD | CAE | CAF | 0.9° | 0.3° |
| NAD | CAE | OAA | CAF | 179.9° | 179.7° |
| NAD | CAE | CAF | NAG | 176.1° | 179.7° |
| OAA | CAE | CAF | NAG | 4.0° | 0.0° |
| OAA | CAE | NAD | HAD | 0.8° | 0.1° |
| CAE | CAF | NAG | CAB | 73.8° | 131.6° |
| CAE | CAF | NAG | SAH | 99.5° | 48.4° |
| CAF | CAE | NAD | HAD | 179.2° | 179.8° |
| CAF | NAG | CAB | SAH | 173.5° | 180.0° |
| CAF | NAG | SAH | OAQ | 55.1° | 136.2° |
| CAF | NAG | SAH | OAC | 176.9° | 3.3° |
| CAF | NAG | SAH | CAI | 65.9° | 110.3° |
| CAF | NAG | CAB | HAB1 | 180.0° | 121.8° |
| CAF | NAG | CAB | HAB2 | 60.0° | 118.2° |
| CAF | NAG | CAB | HAB3 | 60.0° | 1.9° |
| CAB | NAG | SAH | OAQ | 131.9° | 43.8° |
| CAB | NAG | SAH | OAC | 10.1° | 176.7° |
| CAB | NAG | SAH | CAI | 107.1° | 69.7° |
| NAG | CAB | HAB1 | HAB2 | 120.0° | 120.0° |
| NAG | CAB | HAB1 | HAB3 | 120.0° | 120.0° |
| NAG | CAB | HAB2 | HAB3 | 120.0° | 120.1° |
| NAG | SAH | OAQ | OAC | 120.2° | 122.9° |
| NAG | SAH | OAQ | CAI | 117.8° | 114.1° |
| NAG | SAH | OAC | CAI | 117.0° | 114.1° |
| NAG | SAH | CAI | CAJ | 82.3° | 90.0° |
| NAG | SAH | CAI | CAR | 97.5° | 90.3° |
| SAH | NAG | CAB | HAB1 | 6.5° | 58.2° |
| SAH | NAG | CAB | HAB2 | 126.5° | 61.8° |
| SAH | NAG | CAB | HAB3 | 113.5° | 178.2° |
| OAQ | SAH | OAC | CAI | 124.5° | 123.0° |
| OAQ | SAH | CAI | CAJ | 35.0° | 23.5° |
| OAQ | SAH | CAI | CAR | 145.2° | 156.2° |
| OAC | SAH | CAI | CAJ | 159.3° | 156.5° |
| OAC | SAH | CAI | CAR | 20.8° | 23.2° |
| SAH | CAI | CAJ | CAR | 179.8° | 179.7° |
| SAH | CAI | CAJ | CAK | 179.9° | 180.0° |
| SAH | CAI | CAR | CAS | 179.9° | 179.8° |
| SAH | CAI | CAJ | HAJ | 0.1° | 0.1° |
| SAH | CAI | CAR | HAR | 0.1° | 0.0° |
| CAI | CAJ | CAK | HAJ | 180.0° | 179.9° |
| CAI | CAJ | CAK | CAT | 0.9° | 0.1° |
| CAJ | CAI | CAR | CAS | 0.3° | 0.5° |
| CAJ | CAI | CAR | HAR | 179.7° | 179.7° |
| CAI | CAJ | CAK | HAK | 179.1° | 180.0° |
| CAR | CAI | CAJ | CAK | 0.1° | 0.3° |
| CAI | CAR | CAS | CAT | 0.5° | 0.4° |
| CAI | CAR | CAS | HAR | 180.0° | 179.8° |
| CAR | CAI | CAJ | HAJ | 180.0° | 179.8° |
| CAI | CAR | CAS | HAS | 179.5° | 179.7° |
| CAJ | CAK | CAT | HAK | 180.0° | 180.0° |
| CAJ | CAK | CAT | CAS | 1.7° | 0.0° |
| CAJ | CAK | CAT | HAT | 178.3° | 180.0° |
| CAK | CAT | CAS | HAT | 180.0° | 180.0° |
| CAK | CAT | CAS | CAR | 1.5° | 0.2° |
| CAT | CAK | CAJ | HAJ | 179.0° | 180.0° |
| CAK | CAT | CAS | HAS | 178.6° | 179.9° |
| CAT | CAS | CAR | HAS | 180.0° | 179.9° |
| CAT | CAS | CAR | HAR | 179.5° | 179.8° |
| CAS | CAT | CAK | HAK | 178.3° | 180.0° |
| CAR | CAS | CAT | HAT | 178.5° | 179.9° |
| HAW | CAW | CAX | HAX | 0.2° | 0.3° |
| HAX | CAX | CBA | HBA | 0.1° | 0.1° |
| HBA | CBA | CAZ | HAZ | 0.2° | 0.1° |
| HAZ | CAZ | CAY | HAY | 0.4° | 0.0° |
| HAB1 | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| HAJ | CAJ | CAK | HAK | 1.0° | 0.0° |
| HAR | CAR | CAS | HAS | 0.5° | 0.1° |
| HAK | CAK | CAT | HAT | 1.7° | 0.1° |
| HAT | CAT | CAS | HAS | 1.4° | 0.0° |
