6NL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAX | OAW | sing | 1.44Å | 1.44Å | |
| CAX | OAY | sing | 1.44Å | 1.44Å | |
| OAW | CAQ | sing | 1.37Å | 1.36Å | |
| OAY | CAR | sing | 1.37Å | 1.36Å | |
| CAQ | CAR | doub | 1.39Å | 1.39Å | Aromatic |
| CAQ | CAP | sing | 1.38Å | 1.39Å | Aromatic |
| CAR | CAS | sing | 1.39Å | 1.39Å | Aromatic |
| CAP | CAO | doub | 1.40Å | 1.40Å | Aromatic |
| CAS | OAU | sing | 1.36Å | 1.38Å | |
| CAS | CAT | doub | 1.38Å | 1.40Å | Aromatic |
| OAU | CAV | sing | 1.43Å | 1.43Å | |
| CAO | CAT | sing | 1.40Å | 1.41Å | Aromatic |
| CAO | CAL | sing | 1.48Å | 1.47Å | |
| OAN | CAL | doub | 1.22Å | 1.24Å | |
| CAL | CAK | sing | 1.42Å | 1.47Å | |
| CAK | CAJ | doub | 1.35Å | 1.38Å | |
| CAK | CAM | sing | 1.51Å | 1.52Å | |
| CAJ | CAB | sing | 1.47Å | 1.47Å | |
| CAC | CAB | doub | 1.40Å | 1.40Å | Aromatic |
| CAC | CAD | sing | 1.38Å | 1.40Å | Aromatic |
| CAB | CAA | sing | 1.40Å | 1.40Å | Aromatic |
| CAD | CAE | doub | 1.39Å | 1.39Å | Aromatic |
| CAA | CAF | doub | 1.38Å | 1.41Å | Aromatic |
| CAE | CAF | sing | 1.39Å | 1.39Å | Aromatic |
| CAE | OAH | sing | 1.36Å | 1.39Å | |
| CAF | OAG | sing | 1.36Å | 1.38Å | |
| CAI | OAH | sing | 1.43Å | 1.43Å | |
| CAI | HAK | sing | 1.09Å | 1.10Å | |
| CAI | HAJ | sing | 1.09Å | 1.10Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| OAG | HAG | sing | 0.97Å | 0.95Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAJ | HAL | sing | 1.08Å | 1.08Å | |
| CAM | HAO | sing | 1.09Å | 1.10Å | |
| CAM | HAN | sing | 1.09Å | 1.10Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAT | HAT | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAX | HAY | sing | 1.09Å | 1.10Å | |
| CAX | HAZ | sing | 1.09Å | 1.10Å | |
| CAV | HAV | sing | 1.09Å | 1.10Å | |
| CAV | HAW | sing | 1.09Å | 1.10Å | |
| CAV | HAX | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAW | CAX | OAY | 110.9° | 103.8° |
| CAX | OAW | CAQ | 101.3° | 105.4° |
| OAW | CAX | HAY | 109.1° | 110.6° |
| OAW | CAX | HAZ | 109.1° | 110.6° |
| CAX | OAY | CAR | 100.7° | 105.5° |
| OAY | CAX | HAY | 109.1° | 110.6° |
| OAY | CAX | HAZ | 109.1° | 110.6° |
| OAW | CAQ | CAR | 110.3° | 108.7° |
| OAW | CAQ | CAP | 127.7° | 131.4° |
| OAY | CAR | CAQ | 111.7° | 108.6° |
| OAY | CAR | CAS | 127.1° | 131.3° |
| CAR | CAQ | CAP | 122.0° | 120.0° |
| CAQ | CAR | CAS | 121.2° | 120.1° |
| CAQ | CAP | CAO | 117.2° | 120.0° |
| CAQ | CAP | HAP | 121.4° | 120.0° |
| CAR | CAS | OAU | 117.6° | 119.9° |
| CAR | CAS | CAT | 117.5° | 120.1° |
| CAP | CAO | CAT | 120.7° | 119.8° |
| CAP | CAO | CAL | 117.4° | 120.0° |
| CAO | CAP | HAP | 121.4° | 120.0° |
| OAU | CAS | CAT | 124.9° | 119.9° |
| CAS | OAU | CAV | 118.8° | 117.0° |
| CAS | CAT | CAO | 121.4° | 120.0° |
| CAS | CAT | HAT | 119.3° | 120.0° |
| OAU | CAV | HAV | 109.5° | 109.5° |
| OAU | CAV | HAW | 109.5° | 109.5° |
| OAU | CAV | HAX | 109.5° | 109.5° |
| CAT | CAO | CAL | 121.9° | 120.1° |
| CAO | CAT | HAT | 119.3° | 120.0° |
| CAO | CAL | OAN | 118.2° | 120.0° |
| CAO | CAL | CAK | 121.8° | 120.0° |
| OAN | CAL | CAK | 120.0° | 120.0° |
| CAL | CAK | CAJ | 116.2° | 120.0° |
| CAL | CAK | CAM | 117.1° | 120.0° |
| CAJ | CAK | CAM | 126.7° | 120.0° |
| CAK | CAJ | CAB | 130.2° | 120.0° |
| CAK | CAJ | HAL | 114.9° | 120.0° |
| CAK | CAM | HAO | 109.5° | 109.5° |
| CAK | CAM | HAN | 109.5° | 109.5° |
| CAK | CAM | HAM | 109.5° | 109.5° |
| CAJ | CAB | CAC | 119.9° | 120.1° |
| CAJ | CAB | CAA | 120.0° | 120.1° |
| CAB | CAJ | HAL | 114.9° | 120.0° |
| CAB | CAC | CAD | 120.2° | 120.0° |
| CAC | CAB | CAA | 120.0° | 119.8° |
| CAB | CAC | HAC | 119.9° | 120.0° |
| CAC | CAD | CAE | 120.1° | 120.2° |
| CAC | CAD | HAD | 119.9° | 119.9° |
| CAD | CAC | HAC | 119.9° | 120.1° |
| CAB | CAA | CAF | 119.1° | 119.9° |
| CAB | CAA | HAA | 120.5° | 120.1° |
| CAD | CAE | CAF | 119.3° | 120.2° |
| CAD | CAE | OAH | 119.9° | 119.9° |
| CAE | CAD | HAD | 119.9° | 119.9° |
| CAA | CAF | CAE | 120.7° | 120.0° |
| CAA | CAF | OAG | 121.8° | 120.0° |
| CAF | CAA | HAA | 120.5° | 120.1° |
| CAF | CAE | OAH | 119.8° | 119.9° |
| CAE | CAF | OAG | 117.3° | 120.0° |
| CAE | OAH | CAI | 119.7° | 117.0° |
| CAF | OAG | HAG | 109.5° | 114.0° |
| OAH | CAI | HAK | 109.5° | 109.5° |
| OAH | CAI | HAJ | 109.5° | 109.4° |
| OAH | CAI | HAI | 109.5° | 109.5° |
| HAK | CAI | HAJ | 109.5° | 109.5° |
| HAK | CAI | HAI | 109.5° | 109.5° |
| HAJ | CAI | HAI | 109.4° | 109.4° |
| HAO | CAM | HAN | 109.4° | 109.4° |
| HAO | CAM | HAM | 109.5° | 109.5° |
| HAN | CAM | HAM | 109.5° | 109.5° |
| HAY | CAX | HAZ | 109.5° | 110.6° |
| HAV | CAV | HAW | 109.5° | 109.5° |
| HAV | CAV | HAX | 109.5° | 109.5° |
| HAW | CAV | HAX | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAW | CAX | OAY | HAY | 120.2° | 118.6° |
| OAW | CAX | OAY | HAZ | 120.2° | 118.6° |
| OAW | CAX | OAY | CAR | 22.1° | 27.2° |
| CAX | OAW | CAQ | CAR | 12.7° | 17.3° |
| CAX | OAW | CAQ | CAP | 166.6° | 163.0° |
| OAW | CAX | HAY | HAZ | 119.4° | 122.8° |
| OAY | CAX | OAW | CAQ | 21.9° | 27.2° |
| CAX | OAY | CAR | CAQ | 13.6° | 17.3° |
| CAX | OAY | CAR | CAS | 166.8° | 162.7° |
| OAY | CAX | HAY | HAZ | 119.3° | 122.8° |
| OAW | CAQ | CAR | OAY | 0.6° | 0.0° |
| OAW | CAQ | CAR | CAP | 179.4° | 179.7° |
| OAW | CAQ | CAR | CAS | 179.8° | 180.0° |
| OAW | CAQ | CAP | CAO | 179.0° | 179.7° |
| OAW | CAQ | CAP | HAP | 1.0° | 0.3° |
| CAQ | OAW | CAX | HAY | 98.3° | 145.7° |
| CAQ | OAW | CAX | HAZ | 142.1° | 91.5° |
| OAY | CAR | CAQ | CAS | 179.6° | 180.0° |
| OAY | CAR | CAQ | CAP | 179.9° | 179.7° |
| OAY | CAR | CAS | OAU | 0.2° | 0.0° |
| OAY | CAR | CAS | CAT | 179.1° | 179.5° |
| CAR | OAY | CAX | HAY | 98.2° | 145.8° |
| CAR | OAY | CAX | HAZ | 142.3° | 91.4° |
| CAR | CAQ | CAP | CAO | 0.2° | 0.0° |
| CAQ | CAR | CAS | OAU | 179.7° | 179.9° |
| CAQ | CAR | CAS | CAT | 1.4° | 0.6° |
| CAR | CAQ | CAP | HAP | 179.8° | 180.0° |
| CAP | CAQ | CAR | CAS | 0.5° | 0.3° |
| CAQ | CAP | CAO | HAP | 180.0° | 180.0° |
| CAQ | CAP | CAO | CAT | 0.1° | 0.0° |
| CAQ | CAP | CAO | CAL | 179.3° | 179.7° |
| CAR | CAS | OAU | CAT | 178.8° | 179.5° |
| CAR | CAS | OAU | CAV | 172.1° | 180.0° |
| CAR | CAS | CAT | CAO | 1.6° | 0.5° |
| CAR | CAS | CAT | HAT | 178.4° | 179.4° |
| CAP | CAO | CAT | CAS | 1.0° | 0.2° |
| CAP | CAO | CAT | CAL | 179.4° | 179.8° |
| CAP | CAO | CAL | OAN | 40.8° | 147.0° |
| CAP | CAO | CAL | CAK | 137.9° | 33.0° |
| CAP | CAO | CAT | HAT | 179.0° | 179.7° |
| OAU | CAS | CAT | CAO | 179.5° | 180.0° |
| OAU | CAS | CAT | HAT | 0.5° | 0.1° |
| CAS | OAU | CAV | HAV | 180.0° | 60.0° |
| CAS | OAU | CAV | HAW | 60.0° | 60.0° |
| CAS | OAU | CAV | HAX | 60.0° | 180.0° |
| CAT | CAS | OAU | CAV | 9.1° | 0.5° |
| CAS | CAT | CAO | HAT | 180.0° | 180.0° |
| CAS | CAT | CAO | CAL | 178.4° | 180.0° |
| OAU | CAV | HAV | HAW | 120.0° | 120.0° |
| OAU | CAV | HAV | HAX | 120.0° | 120.0° |
| OAU | CAV | HAW | HAX | 120.0° | 120.0° |
| CAT | CAO | CAL | OAN | 139.8° | 33.2° |
| CAT | CAO | CAL | CAK | 41.6° | 146.7° |
| CAT | CAO | CAP | HAP | 179.9° | 180.0° |
| CAO | CAL | OAN | CAK | 178.7° | 180.0° |
| CAO | CAL | CAK | CAJ | 20.1° | 173.3° |
| CAO | CAL | CAK | CAM | 159.5° | 6.7° |
| CAL | CAO | CAT | HAT | 1.6° | 0.0° |
| CAL | CAO | CAP | HAP | 0.6° | 0.3° |
| OAN | CAL | CAK | CAJ | 158.6° | 6.7° |
| OAN | CAL | CAK | CAM | 21.9° | 173.3° |
| CAL | CAK | CAJ | CAM | 179.5° | 180.0° |
| CAL | CAK | CAJ | CAB | 179.7° | 171.2° |
| CAL | CAK | CAJ | HAL | 0.3° | 8.8° |
| CAL | CAK | CAM | HAO | 180.0° | 92.6° |
| CAL | CAK | CAM | HAN | 60.0° | 27.3° |
| CAL | CAK | CAM | HAM | 60.0° | 147.3° |
| CAK | CAJ | CAB | HAL | 180.0° | 179.9° |
| CAK | CAJ | CAB | CAC | 165.5° | 142.5° |
| CAK | CAJ | CAB | CAA | 15.1° | 38.3° |
| CAJ | CAK | CAM | HAO | 0.5° | 87.4° |
| CAJ | CAK | CAM | HAN | 120.5° | 152.6° |
| CAJ | CAK | CAM | HAM | 119.5° | 32.6° |
| CAM | CAK | CAJ | CAB | 0.8° | 8.9° |
| CAM | CAK | CAJ | HAL | 179.2° | 171.2° |
| CAK | CAM | HAO | HAN | 120.0° | 120.0° |
| CAK | CAM | HAO | HAM | 120.0° | 120.1° |
| CAK | CAM | HAN | HAM | 120.0° | 120.0° |
| CAJ | CAB | CAC | CAA | 179.3° | 179.2° |
| CAJ | CAB | CAC | CAD | 178.6° | 180.0° |
| CAJ | CAB | CAA | CAF | 179.2° | 179.8° |
| CAJ | CAB | CAA | HAA | 0.8° | 0.3° |
| CAJ | CAB | CAC | HAC | 1.4° | 0.8° |
| CAB | CAC | CAD | HAC | 180.0° | 179.2° |
| CAB | CAC | CAD | CAE | 5.7° | 0.5° |
| CAC | CAB | CAA | CAF | 1.5° | 0.6° |
| CAC | CAB | CAA | HAA | 178.5° | 179.6° |
| CAB | CAC | CAD | HAD | 174.3° | 179.5° |
| CAC | CAB | CAJ | HAL | 14.5° | 37.6° |
| CAD | CAC | CAB | CAA | 2.0° | 0.8° |
| CAC | CAD | CAE | HAD | 180.0° | 180.0° |
| CAC | CAD | CAE | CAF | 8.7° | 0.0° |
| CAC | CAD | CAE | OAH | 177.7° | 179.8° |
| CAB | CAA | CAF | HAA | 180.0° | 179.9° |
| CAB | CAA | CAF | CAE | 4.6° | 0.1° |
| CAB | CAA | CAF | OAG | 179.1° | 180.0° |
| CAA | CAB | CAC | HAC | 177.9° | 180.0° |
| CAA | CAB | CAJ | HAL | 164.9° | 141.7° |
| CAD | CAE | CAF | CAA | 8.2° | 0.2° |
| CAD | CAE | CAF | OAH | 169.0° | 179.8° |
| CAD | CAE | CAF | OAG | 177.1° | 179.7° |
| CAD | CAE | OAH | CAI | 16.9° | 0.3° |
| CAE | CAD | CAC | HAC | 174.3° | 179.7° |
| CAA | CAF | CAE | OAG | 174.7° | 179.9° |
| CAA | CAF | CAE | OAH | 177.3° | 180.0° |
| CAA | CAF | OAG | HAG | 180.0° | 90.0° |
| CAF | CAE | OAH | CAI | 174.1° | 179.9° |
| CAE | CAF | CAA | HAA | 175.4° | 180.0° |
| CAE | CAF | OAG | HAG | 5.3° | 90.0° |
| CAF | CAE | CAD | HAD | 171.3° | 180.0° |
| OAH | CAE | CAF | OAG | 8.0° | 0.0° |
| CAE | OAH | CAI | HAK | 180.0° | 60.0° |
| CAE | OAH | CAI | HAJ | 60.0° | 60.0° |
| CAE | OAH | CAI | HAI | 60.0° | 180.0° |
| OAH | CAE | CAD | HAD | 2.2° | 0.3° |
| OAG | CAF | CAA | HAA | 0.9° | 0.1° |
| OAH | CAI | HAK | HAJ | 120.0° | 120.0° |
| OAH | CAI | HAK | HAI | 120.0° | 120.0° |
| OAH | CAI | HAJ | HAI | 120.0° | 119.9° |
| HAK | CAI | HAJ | HAI | 120.0° | 120.1° |
| HAD | CAD | CAC | HAC | 5.7° | 0.2° |
| HAO | CAM | HAN | HAM | 120.0° | 120.0° |
| HAV | CAV | HAW | HAX | 120.0° | 120.0° |
