0NS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAX | OAW | sing | 1.43Å | 1.48Å | |
| CAF | CAA | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAE | sing | 1.39Å | 1.39Å | Aromatic |
| CAA | CAB | sing | 1.38Å | 1.37Å | Aromatic |
| OAW | CAE | sing | 1.36Å | 1.37Å | |
| CAE | CAD | doub | 1.39Å | 1.41Å | Aromatic |
| CAB | CAC | doub | 1.38Å | 1.38Å | Aromatic |
| CAD | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | SAT | sing | 1.76Å | 1.75Å | |
| OAU | SAT | doub | 1.42Å | 1.49Å | |
| CAI | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAH | sing | 1.39Å | 1.40Å | Aromatic |
| SAT | NAG | sing | 1.66Å | 1.64Å | |
| SAT | OAV | doub | 1.42Å | 1.48Å | |
| CAJ | CAK | sing | 1.39Å | 1.40Å | Aromatic |
| NAG | CAH | sing | 1.40Å | 1.35Å | |
| CAH | CAM | doub | 1.39Å | 1.40Å | Aromatic |
| CAK | NAN | sing | 1.40Å | 1.42Å | |
| CAK | CAL | doub | 1.39Å | 1.40Å | Aromatic |
| NAN | CAO | sing | 1.34Å | 1.43Å | |
| CAM | CAL | sing | 1.38Å | 1.40Å | Aromatic |
| CAL | CAQ | sing | 1.51Å | 1.52Å | |
| CAO | OAR | doub | 1.22Å | 1.22Å | |
| CAO | NAP | sing | 1.35Å | 1.39Å | |
| CAQ | NAP | sing | 1.47Å | 1.48Å | |
| NAP | CAS | sing | 1.47Å | 1.50Å | |
| CAX | H1 | sing | 1.09Å | 1.10Å | |
| CAX | H2 | sing | 1.09Å | 1.10Å | |
| CAX | H3 | sing | 1.09Å | 1.10Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| CAA | H5 | sing | 1.08Å | 1.08Å | |
| CAB | H6 | sing | 1.08Å | 1.08Å | |
| CAC | H7 | sing | 1.08Å | 1.08Å | |
| NAG | H8 | sing | 0.97Å | 1.00Å | |
| CAM | H9 | sing | 1.08Å | 1.08Å | |
| CAQ | H10 | sing | 1.09Å | 1.10Å | |
| CAQ | H11 | sing | 1.09Å | 1.10Å | |
| CAS | H12 | sing | 1.09Å | 1.10Å | |
| CAS | H13 | sing | 1.09Å | 1.10Å | |
| CAS | H14 | sing | 1.09Å | 1.10Å | |
| NAN | H15 | sing | 0.97Å | 1.00Å | |
| CAJ | H16 | sing | 1.08Å | 1.08Å | |
| CAI | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAX | OAW | CAE | 118.1° | 116.9° |
| OAW | CAX | H1 | 109.5° | 109.5° |
| OAW | CAX | H2 | 109.4° | 109.5° |
| OAW | CAX | H3 | 109.5° | 109.4° |
| CAA | CAF | CAE | 119.4° | 120.0° |
| CAF | CAA | CAB | 122.0° | 120.1° |
| CAA | CAF | H4 | 120.3° | 120.0° |
| CAF | CAA | H5 | 119.0° | 120.0° |
| CAF | CAE | OAW | 120.1° | 120.1° |
| CAF | CAE | CAD | 118.0° | 119.8° |
| CAE | CAF | H4 | 120.3° | 120.0° |
| CAA | CAB | CAC | 119.3° | 120.1° |
| CAB | CAA | H5 | 119.0° | 120.0° |
| CAA | CAB | H6 | 120.4° | 119.9° |
| OAW | CAE | CAD | 121.8° | 120.0° |
| CAE | CAD | CAC | 121.5° | 120.0° |
| CAE | CAD | SAT | 120.6° | 120.0° |
| CAB | CAC | CAD | 119.7° | 120.1° |
| CAC | CAB | H6 | 120.3° | 120.0° |
| CAB | CAC | H7 | 120.2° | 119.9° |
| CAC | CAD | SAT | 117.7° | 120.0° |
| CAD | CAC | H7 | 120.1° | 120.0° |
| CAD | SAT | OAU | 110.7° | 106.4° |
| CAD | SAT | NAG | 102.3° | 107.2° |
| CAD | SAT | OAV | 108.2° | 106.4° |
| OAU | SAT | NAG | 110.0° | 106.4° |
| OAU | SAT | OAV | 114.3° | 123.1° |
| CAJ | CAI | CAH | 120.5° | 120.2° |
| CAI | CAJ | CAK | 120.5° | 119.9° |
| CAI | CAJ | H16 | 119.7° | 120.0° |
| CAJ | CAI | H17 | 119.7° | 119.9° |
| CAI | CAH | NAG | 119.8° | 120.1° |
| CAI | CAH | CAM | 118.5° | 119.9° |
| CAH | CAI | H17 | 119.8° | 119.9° |
| NAG | SAT | OAV | 110.6° | 106.4° |
| SAT | NAG | CAH | 123.7° | 120.0° |
| SAT | NAG | H8 | 105.8° | 120.0° |
| CAJ | CAK | NAN | 120.7° | 120.6° |
| CAJ | CAK | CAL | 119.7° | 119.6° |
| CAK | CAJ | H16 | 119.8° | 120.1° |
| NAG | CAH | CAM | 121.6° | 120.0° |
| CAH | NAG | H8 | 105.8° | 120.0° |
| CAH | CAM | CAL | 121.4° | 119.6° |
| CAH | CAM | H9 | 119.3° | 120.2° |
| NAN | CAK | CAL | 119.6° | 119.8° |
| CAK | NAN | CAO | 119.5° | 123.0° |
| CAK | NAN | H15 | 120.3° | 118.5° |
| CAK | CAL | CAM | 119.4° | 120.7° |
| CAK | CAL | CAQ | 123.9° | 118.1° |
| NAN | CAO | OAR | 121.1° | 118.5° |
| NAN | CAO | NAP | 122.2° | 123.1° |
| CAO | NAN | H15 | 120.3° | 118.5° |
| CAM | CAL | CAQ | 116.7° | 121.2° |
| CAL | CAM | H9 | 119.3° | 120.2° |
| CAL | CAQ | NAP | 112.4° | 116.9° |
| CAL | CAQ | H10 | 108.7° | 108.0° |
| CAL | CAQ | H11 | 108.7° | 108.0° |
| OAR | CAO | NAP | 116.5° | 118.4° |
| CAO | NAP | CAQ | 122.0° | 119.2° |
| CAO | NAP | CAS | 118.8° | 120.4° |
| CAQ | NAP | CAS | 119.1° | 120.4° |
| NAP | CAQ | H10 | 108.7° | 107.9° |
| NAP | CAQ | H11 | 108.7° | 108.0° |
| NAP | CAS | H12 | 109.5° | 109.5° |
| NAP | CAS | H13 | 109.4° | 109.4° |
| NAP | CAS | H14 | 109.5° | 109.5° |
| H1 | CAX | H2 | 109.5° | 109.5° |
| H1 | CAX | H3 | 109.4° | 109.4° |
| H2 | CAX | H3 | 109.5° | 109.5° |
| H10 | CAQ | H11 | 109.5° | 107.8° |
| H12 | CAS | H13 | 109.5° | 109.5° |
| H12 | CAS | H14 | 109.4° | 109.5° |
| H13 | CAS | H14 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAX | OAW | CAE | CAF | 3.7° | 5.3° |
| CAX | OAW | CAE | CAD | 178.1° | 175.0° |
| OAW | CAX | H1 | H2 | 120.0° | 120.0° |
| OAW | CAX | H1 | H3 | 120.0° | 119.9° |
| OAW | CAX | H2 | H3 | 120.0° | 120.0° |
| CAA | CAF | CAE | H4 | 180.0° | 180.0° |
| CAF | CAA | CAB | H5 | 180.0° | 180.0° |
| CAA | CAF | CAE | OAW | 178.6° | 180.0° |
| CAA | CAF | CAE | CAD | 0.3° | 0.2° |
| CAF | CAA | CAB | CAC | 0.1° | 0.0° |
| CAF | CAA | CAB | H6 | 179.8° | 180.0° |
| CAE | CAF | CAA | CAB | 1.3° | 0.0° |
| CAF | CAE | OAW | CAD | 178.2° | 179.8° |
| CAF | CAE | CAD | CAC | 3.5° | 0.5° |
| CAF | CAE | CAD | SAT | 178.1° | 179.8° |
| CAE | CAF | CAA | H5 | 178.7° | 180.0° |
| CAA | CAB | CAC | H6 | 180.0° | 179.9° |
| CAA | CAB | CAC | CAD | 3.3° | 0.2° |
| CAB | CAA | CAF | H4 | 178.7° | 180.0° |
| CAA | CAB | CAC | H7 | 176.8° | 180.0° |
| OAW | CAE | CAD | CAC | 178.3° | 179.8° |
| OAW | CAE | CAD | SAT | 3.7° | 0.0° |
| CAE | OAW | CAX | H1 | 180.0° | 64.9° |
| CAE | OAW | CAX | H2 | 60.0° | 55.1° |
| CAE | OAW | CAX | H3 | 60.0° | 175.2° |
| OAW | CAE | CAF | H4 | 1.4° | 0.0° |
| CAE | CAD | CAC | CAB | 5.0° | 0.5° |
| CAE | CAD | CAC | SAT | 174.7° | 179.8° |
| CAE | CAD | SAT | OAU | 56.8° | 49.7° |
| CAE | CAD | SAT | NAG | 60.3° | 63.8° |
| CAE | CAD | SAT | OAV | 177.1° | 177.3° |
| CAD | CAE | CAF | H4 | 179.6° | 179.8° |
| CAE | CAD | CAC | H7 | 175.0° | 179.7° |
| CAB | CAC | CAD | H7 | 180.0° | 179.8° |
| CAB | CAC | CAD | SAT | 179.7° | 179.8° |
| CAC | CAB | CAA | H5 | 179.9° | 180.0° |
| CAC | CAD | SAT | OAU | 128.4° | 130.0° |
| CAC | CAD | SAT | NAG | 114.5° | 116.4° |
| CAC | CAD | SAT | OAV | 2.3° | 2.9° |
| CAD | CAC | CAB | H6 | 176.7° | 179.7° |
| CAD | SAT | OAU | NAG | 112.4° | 114.1° |
| CAD | SAT | OAU | OAV | 122.5° | 123.0° |
| CAD | SAT | NAG | OAV | 115.1° | 113.5° |
| CAD | SAT | NAG | CAH | 47.2° | 63.3° |
| SAT | CAD | CAC | H7 | 0.3° | 0.0° |
| CAD | SAT | NAG | H8 | 169.1° | 116.7° |
| OAU | SAT | NAG | OAV | 127.2° | 132.9° |
| OAU | SAT | NAG | CAH | 164.9° | 176.9° |
| OAU | SAT | NAG | H8 | 73.2° | 3.1° |
| CAJ | CAI | CAH | H17 | 180.0° | 179.5° |
| CAI | CAJ | CAK | H16 | 180.0° | 179.8° |
| CAJ | CAI | CAH | NAG | 178.9° | 179.7° |
| CAJ | CAI | CAH | CAM | 1.4° | 0.5° |
| CAI | CAJ | CAK | NAN | 179.8° | 179.7° |
| CAI | CAJ | CAK | CAL | 2.3° | 0.2° |
| CAI | CAH | NAG | SAT | 123.4° | 45.9° |
| CAH | CAI | CAJ | CAK | 2.6° | 0.5° |
| CAI | CAH | NAG | CAM | 177.4° | 179.8° |
| CAI | CAH | CAM | CAL | 0.1° | 0.3° |
| CAI | CAH | NAG | H8 | 114.7° | 134.0° |
| CAI | CAH | CAM | H9 | 179.9° | 179.8° |
| CAH | CAI | CAJ | H16 | 177.4° | 179.7° |
| SAT | NAG | CAH | H8 | 121.9° | 180.0° |
| SAT | NAG | CAH | CAM | 59.2° | 134.3° |
| OAV | SAT | NAG | CAH | 67.9° | 50.2° |
| OAV | SAT | NAG | H8 | 54.0° | 129.7° |
| CAJ | CAK | NAN | CAL | 177.9° | 180.0° |
| CAJ | CAK | NAN | CAO | 174.5° | 179.9° |
| CAJ | CAK | CAL | CAM | 0.8° | 0.0° |
| CAJ | CAK | CAL | CAQ | 178.2° | 180.0° |
| CAJ | CAK | NAN | H15 | 5.5° | 0.0° |
| CAK | CAJ | CAI | H17 | 177.4° | 180.0° |
| NAG | CAH | CAM | CAL | 177.3° | 180.0° |
| NAG | CAH | CAM | H9 | 2.7° | 0.0° |
| NAG | CAH | CAI | H17 | 1.1° | 0.2° |
| CAH | CAM | CAL | CAK | 0.4° | 0.0° |
| CAH | CAM | CAL | H9 | 180.0° | 179.9° |
| CAH | CAM | CAL | CAQ | 179.5° | 180.0° |
| CAM | CAH | NAG | H8 | 62.7° | 45.8° |
| CAM | CAH | CAI | H17 | 178.6° | 180.0° |
| CAK | NAN | CAO | H15 | 180.0° | 179.9° |
| NAN | CAK | CAL | CAM | 178.7° | 180.0° |
| NAN | CAK | CAL | CAQ | 0.2° | 0.0° |
| CAK | NAN | CAO | OAR | 173.6° | 180.0° |
| CAK | NAN | CAO | NAP | 2.2° | 0.1° |
| NAN | CAK | CAJ | H16 | 0.2° | 0.0° |
| CAL | CAK | NAN | CAO | 3.4° | 0.1° |
| CAK | CAL | CAM | CAQ | 179.0° | 180.0° |
| CAK | CAL | CAQ | NAP | 4.7° | 0.0° |
| CAK | CAL | CAM | H9 | 179.6° | 179.9° |
| CAK | CAL | CAQ | H10 | 125.2° | 121.8° |
| CAK | CAL | CAQ | H11 | 115.7° | 121.9° |
| CAL | CAK | NAN | H15 | 176.6° | 180.0° |
| CAL | CAK | CAJ | H16 | 177.7° | 180.0° |
| NAN | CAO | OAR | NAP | 176.1° | 179.9° |
| NAN | CAO | NAP | CAQ | 2.8° | 0.1° |
| NAN | CAO | NAP | CAS | 178.7° | 179.9° |
| CAM | CAL | CAQ | NAP | 174.3° | 180.0° |
| CAM | CAL | CAQ | H10 | 53.8° | 58.1° |
| CAM | CAL | CAQ | H11 | 65.3° | 58.2° |
| CAL | CAQ | NAP | CAO | 5.9° | 0.0° |
| CAL | CAQ | NAP | H10 | 120.4° | 121.9° |
| CAL | CAQ | NAP | H11 | 120.4° | 121.9° |
| CAL | CAQ | NAP | CAS | 175.6° | 180.0° |
| CAQ | CAL | CAM | H9 | 0.5° | 0.0° |
| CAL | CAQ | H10 | H11 | 118.6° | 116.4° |
| OAR | CAO | NAP | CAQ | 178.9° | 180.0° |
| OAR | CAO | NAP | CAS | 2.6° | 0.0° |
| OAR | CAO | NAN | H15 | 6.3° | 0.1° |
| CAO | NAP | CAQ | CAS | 178.5° | 180.0° |
| CAO | NAP | CAQ | H10 | 126.3° | 121.8° |
| CAO | NAP | CAQ | H11 | 114.5° | 121.9° |
| CAO | NAP | CAS | H12 | 180.0° | 90.0° |
| CAO | NAP | CAS | H13 | 60.0° | 30.0° |
| CAO | NAP | CAS | H14 | 60.0° | 150.0° |
| NAP | CAO | NAN | H15 | 177.8° | 180.0° |
| NAP | CAQ | H10 | H11 | 118.7° | 116.4° |
| CAQ | NAP | CAS | H12 | 1.5° | 90.0° |
| CAQ | NAP | CAS | H13 | 118.5° | 150.0° |
| CAQ | NAP | CAS | H14 | 121.5° | 30.0° |
| CAS | NAP | CAQ | H10 | 55.2° | 58.2° |
| CAS | NAP | CAQ | H11 | 64.0° | 58.1° |
| NAP | CAS | H12 | H13 | 120.0° | 120.0° |
| NAP | CAS | H12 | H14 | 120.0° | 120.0° |
| NAP | CAS | H13 | H14 | 120.0° | 120.0° |
| H1 | CAX | H2 | H3 | 120.0° | 120.0° |
| H4 | CAF | CAA | H5 | 1.3° | 0.0° |
| H5 | CAA | CAB | H6 | 0.1° | 0.1° |
| H6 | CAB | CAC | H7 | 3.2° | 0.1° |
| H12 | CAS | H13 | H14 | 120.0° | 120.0° |
| H16 | CAJ | CAI | H17 | 2.7° | 0.2° |
