0SX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAJ | CAT | sing | 1.49Å | 1.50Å | |
| NAJ | CAG | sing | 1.49Å | 1.48Å | |
| CAT | CAN | sing | 1.51Å | 1.40Å | |
| CAT | CAH | sing | 1.54Å | 1.53Å | |
| CAG | CAF | sing | 1.54Å | 1.54Å | |
| CAN | NAK | sing | 1.36Å | 1.40Å | |
| CAN | NAI | doub | 1.30Å | 1.36Å | |
| NAK | CAO | sing | 1.35Å | 1.39Å | |
| NAI | CAR | sing | 1.34Å | 1.36Å | |
| CAH | CAF | sing | 1.54Å | 1.52Å | |
| CAO | OAA | doub | 1.22Å | 1.24Å | |
| CAO | CAS | sing | 1.41Å | 1.35Å | |
| CAR | CAS | doub | 1.39Å | 1.35Å | Aromatic |
| CAR | CAQ | sing | 1.47Å | 1.34Å | Aromatic |
| CAS | OAL | sing | 1.35Å | 1.26Å | Aromatic |
| CAE | CAQ | doub | 1.39Å | 1.35Å | Aromatic |
| CAE | CAM | sing | 1.38Å | 1.40Å | Aromatic |
| CAQ | CAP | sing | 1.40Å | 1.35Å | Aromatic |
| OAL | CAP | sing | 1.35Å | 1.34Å | Aromatic |
| CL | CAM | sing | 1.74Å | 1.78Å | |
| CAM | CAC | doub | 1.39Å | 1.40Å | Aromatic |
| CAP | CAD | doub | 1.39Å | 1.34Å | Aromatic |
| CAC | CAD | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | H1 | sing | 1.09Å | 1.10Å | |
| CAH | H2 | sing | 1.09Å | 1.10Å | |
| CAF | H3 | sing | 1.09Å | 1.10Å | |
| CAF | H4 | sing | 1.09Å | 1.10Å | |
| CAG | H5 | sing | 1.09Å | 1.10Å | |
| CAG | H6 | sing | 1.09Å | 1.10Å | |
| NAJ | H7 | sing | 1.01Å | 1.00Å | |
| CAT | H9 | sing | 1.09Å | 1.10Å | |
| CAE | H10 | sing | 1.08Å | 1.08Å | |
| CAC | H11 | sing | 1.08Å | 1.08Å | |
| CAD | H12 | sing | 1.08Å | 1.08Å | |
| NAK | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAT | NAJ | CAG | 107.4° | 104.2° |
| NAJ | CAT | CAN | 109.3° | 110.4° |
| NAJ | CAT | CAH | 107.1° | 104.6° |
| CAT | NAJ | H7 | 110.0° | 111.0° |
| NAJ | CAT | H9 | 109.0° | 110.4° |
| NAJ | CAG | CAF | 103.5° | 104.6° |
| NAJ | CAG | H5 | 110.9° | 110.4° |
| NAJ | CAG | H6 | 110.9° | 110.6° |
| CAG | NAJ | H7 | 110.0° | 111.0° |
| CAN | CAT | CAH | 112.3° | 110.4° |
| CAT | CAN | NAK | 117.7° | 119.1° |
| CAT | CAN | NAI | 123.6° | 119.1° |
| CAN | CAT | H9 | 110.4° | 110.4° |
| CAT | CAH | CAF | 103.0° | 105.0° |
| CAT | CAH | H1 | 111.1° | 110.3° |
| CAT | CAH | H2 | 111.1° | 110.4° |
| CAH | CAT | H9 | 108.6° | 110.6° |
| CAG | CAF | CAH | 103.0° | 105.1° |
| CAG | CAF | H3 | 111.1° | 110.4° |
| CAG | CAF | H4 | 111.0° | 110.4° |
| CAF | CAG | H5 | 110.9° | 110.4° |
| CAF | CAG | H6 | 110.9° | 110.4° |
| NAK | CAN | NAI | 118.8° | 121.8° |
| CAN | NAK | CAO | 120.1° | 120.5° |
| CAN | NAK | H13 | 119.9° | 119.8° |
| CAN | NAI | CAR | 120.7° | 121.1° |
| NAK | CAO | OAA | 119.0° | 120.8° |
| NAK | CAO | CAS | 118.6° | 118.5° |
| CAO | NAK | H13 | 120.0° | 119.7° |
| NAI | CAR | CAS | 120.0° | 120.0° |
| NAI | CAR | CAQ | 132.5° | 134.3° |
| CAF | CAH | H1 | 111.1° | 110.3° |
| CAF | CAH | H2 | 111.1° | 110.3° |
| CAH | CAF | H3 | 111.1° | 110.3° |
| CAH | CAF | H4 | 111.1° | 110.3° |
| OAA | CAO | CAS | 122.5° | 120.7° |
| CAO | CAS | CAR | 121.8° | 118.1° |
| CAO | CAS | OAL | 129.9° | 133.0° |
| CAS | CAR | CAQ | 107.5° | 105.7° |
| CAR | CAS | OAL | 108.3° | 108.9° |
| CAR | CAQ | CAE | 133.0° | 134.1° |
| CAR | CAQ | CAP | 106.9° | 105.7° |
| CAS | OAL | CAP | 110.5° | 111.3° |
| CAQ | CAE | CAM | 120.2° | 119.7° |
| CAE | CAQ | CAP | 120.1° | 120.2° |
| CAQ | CAE | H10 | 119.9° | 120.1° |
| CAE | CAM | CL | 121.1° | 119.9° |
| CAE | CAM | CAC | 119.4° | 120.2° |
| CAM | CAE | H10 | 119.9° | 120.2° |
| CAQ | CAP | OAL | 106.8° | 108.3° |
| CAQ | CAP | CAD | 122.3° | 119.2° |
| OAL | CAP | CAD | 130.9° | 132.6° |
| CL | CAM | CAC | 119.5° | 119.9° |
| CAM | CAC | CAD | 117.7° | 120.6° |
| CAM | CAC | H11 | 121.2° | 119.7° |
| CAP | CAD | CAC | 120.3° | 120.1° |
| CAP | CAD | H12 | 119.8° | 120.0° |
| CAD | CAC | H11 | 121.1° | 119.7° |
| CAC | CAD | H12 | 119.8° | 119.9° |
| H1 | CAH | H2 | 109.4° | 110.3° |
| H3 | CAF | H4 | 109.5° | 110.3° |
| H5 | CAG | H6 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAT | NAJ | CAG | H7 | 119.7° | 119.5° |
| NAJ | CAT | CAN | CAH | 118.7° | 115.2° |
| NAJ | CAT | CAN | H9 | 119.8° | 122.3° |
| NAJ | CAT | CAH | H9 | 117.6° | 118.9° |
| CAT | NAJ | CAG | CAF | 26.1° | 39.5° |
| NAJ | CAT | CAN | NAK | 15.3° | 146.5° |
| NAJ | CAT | CAN | NAI | 163.4° | 33.3° |
| NAJ | CAT | CAH | CAF | 21.3° | 23.9° |
| NAJ | CAT | CAH | H1 | 140.2° | 142.7° |
| NAJ | CAT | CAH | H2 | 97.7° | 95.0° |
| CAT | NAJ | CAG | H5 | 92.9° | 158.3° |
| CAT | NAJ | CAG | H6 | 145.2° | 79.3° |
| CAG | NAJ | CAT | CAN | 125.1° | 158.3° |
| CAG | NAJ | CAT | CAH | 3.2° | 39.5° |
| NAJ | CAG | CAF | H5 | 119.0° | 118.8° |
| NAJ | CAG | CAF | H6 | 119.1° | 119.0° |
| NAJ | CAG | CAF | CAH | 39.3° | 23.9° |
| NAJ | CAG | CAF | H3 | 158.3° | 95.0° |
| NAJ | CAG | CAF | H4 | 79.7° | 142.8° |
| NAJ | CAG | H5 | H6 | 122.8° | 122.5° |
| CAG | NAJ | CAT | H9 | 114.1° | 79.4° |
| CAN | CAT | CAH | H9 | 122.4° | 122.4° |
| CAT | CAN | NAK | NAI | 178.8° | 179.8° |
| CAT | CAN | NAK | CAO | 178.7° | 179.7° |
| CAT | CAN | NAI | CAR | 178.8° | 180.0° |
| CAN | CAT | CAH | CAF | 98.8° | 142.6° |
| CAN | CAT | CAH | H1 | 20.2° | 98.5° |
| CAN | CAT | CAH | H2 | 142.3° | 23.7° |
| CAN | CAT | NAJ | H7 | 115.2° | 82.2° |
| CAT | CAN | NAK | H13 | 1.3° | 0.0° |
| CAT | CAH | CAF | CAG | 36.8° | 0.0° |
| CAH | CAT | CAN | NAK | 103.4° | 98.4° |
| CAH | CAT | CAN | NAI | 77.9° | 81.8° |
| CAT | CAH | CAF | H1 | 119.0° | 118.9° |
| CAT | CAH | CAF | H2 | 119.0° | 119.0° |
| CAT | CAH | H1 | H2 | 123.0° | 122.3° |
| CAT | CAH | CAF | H3 | 155.8° | 119.0° |
| CAT | CAH | CAF | H4 | 82.2° | 119.0° |
| CAH | CAT | NAJ | H7 | 122.9° | 159.0° |
| CAG | CAF | CAH | H3 | 119.0° | 119.0° |
| CAG | CAF | CAH | H4 | 119.0° | 119.0° |
| CAG | CAF | CAH | H1 | 155.8° | 118.9° |
| CAG | CAF | CAH | H2 | 82.2° | 119.0° |
| CAG | CAF | H3 | H4 | 123.0° | 122.3° |
| CAF | CAG | H5 | H6 | 122.7° | 122.3° |
| CAF | CAG | NAJ | H7 | 145.8° | 159.0° |
| CAN | NAK | CAO | H13 | 180.0° | 179.7° |
| NAK | CAN | NAI | CAR | 0.1° | 0.3° |
| CAN | NAK | CAO | OAA | 179.5° | 179.7° |
| CAN | NAK | CAO | CAS | 0.3° | 0.5° |
| NAK | CAN | CAT | H9 | 135.2° | 24.1° |
| NAI | CAN | NAK | CAO | 0.1° | 0.5° |
| CAN | NAI | CAR | CAS | 0.1° | 0.0° |
| CAN | NAI | CAR | CAQ | 179.7° | 180.0° |
| NAI | CAN | CAT | H9 | 43.6° | 155.6° |
| NAI | CAN | NAK | H13 | 179.9° | 179.8° |
| NAK | CAO | OAA | CAS | 179.7° | 179.8° |
| NAK | CAO | CAS | CAR | 0.3° | 0.3° |
| NAK | CAO | CAS | OAL | 179.7° | 179.8° |
| NAI | CAR | CAS | CAO | 0.1° | 0.0° |
| NAI | CAR | CAS | CAQ | 179.8° | 180.0° |
| NAI | CAR | CAS | OAL | 179.6° | 180.0° |
| NAI | CAR | CAQ | CAE | 0.0° | 0.1° |
| NAI | CAR | CAQ | CAP | 179.6° | 180.0° |
| CAF | CAH | H1 | H2 | 123.0° | 122.1° |
| CAH | CAF | H3 | H4 | 123.0° | 122.0° |
| CAH | CAF | CAG | H5 | 79.7° | 142.6° |
| CAH | CAF | CAG | H6 | 158.4° | 95.1° |
| CAF | CAH | CAT | H9 | 138.8° | 95.0° |
| OAA | CAO | CAS | CAR | 179.5° | 180.0° |
| OAA | CAO | CAS | OAL | 0.0° | 0.0° |
| OAA | CAO | NAK | H13 | 0.5° | 0.0° |
| CAO | CAS | CAR | OAL | 179.5° | 180.0° |
| CAO | CAS | CAR | CAQ | 179.9° | 180.0° |
| CAO | CAS | OAL | CAP | 179.7° | 180.0° |
| CAS | CAO | NAK | H13 | 179.8° | 179.8° |
| CAS | CAR | CAQ | CAE | 179.9° | 179.9° |
| CAS | CAR | CAQ | CAP | 0.6° | 0.0° |
| CAR | CAS | OAL | CAP | 0.3° | 0.1° |
| CAQ | CAR | CAS | OAL | 0.6° | 0.1° |
| CAR | CAQ | CAE | CAP | 179.5° | 179.9° |
| CAR | CAQ | CAE | CAM | 179.5° | 180.0° |
| CAR | CAQ | CAP | OAL | 0.5° | 0.1° |
| CAR | CAQ | CAP | CAD | 179.7° | 180.0° |
| CAR | CAQ | CAE | H10 | 0.5° | 0.1° |
| CAS | OAL | CAP | CAQ | 0.1° | 0.1° |
| CAS | OAL | CAP | CAD | 179.2° | 180.0° |
| CAQ | CAE | CAM | H10 | 180.0° | 179.9° |
| CAE | CAQ | CAP | OAL | 179.9° | 180.0° |
| CAQ | CAE | CAM | CL | 179.3° | 180.0° |
| CAQ | CAE | CAM | CAC | 0.1° | 0.0° |
| CAE | CAQ | CAP | CAD | 0.7° | 0.1° |
| CAM | CAE | CAQ | CAP | 0.0° | 0.1° |
| CAE | CAM | CL | CAC | 179.4° | 180.0° |
| CAE | CAM | CAC | CAD | 0.5° | 0.0° |
| CAE | CAM | CAC | H11 | 179.5° | 180.0° |
| CAQ | CAP | OAL | CAD | 179.1° | 179.9° |
| CAQ | CAP | CAD | CAC | 1.4° | 0.1° |
| CAP | CAQ | CAE | H10 | 180.0° | 180.0° |
| CAQ | CAP | CAD | H12 | 178.6° | 180.0° |
| OAL | CAP | CAD | CAC | 179.7° | 180.0° |
| OAL | CAP | CAD | H12 | 0.3° | 0.1° |
| CL | CAM | CAC | CAD | 179.9° | 180.0° |
| CL | CAM | CAE | H10 | 0.7° | 0.1° |
| CL | CAM | CAC | H11 | 0.1° | 0.0° |
| CAM | CAC | CAD | CAP | 1.2° | 0.0° |
| CAM | CAC | CAD | H11 | 180.0° | 180.0° |
| CAC | CAM | CAE | H10 | 179.9° | 180.0° |
| CAM | CAC | CAD | H12 | 178.8° | 180.0° |
| CAP | CAD | CAC | H12 | 180.0° | 179.9° |
| CAP | CAD | CAC | H11 | 178.8° | 180.0° |
| H1 | CAH | CAF | H3 | 85.3° | 122.2° |
| H1 | CAH | CAF | H4 | 36.8° | 0.1° |
| H1 | CAH | CAT | H9 | 102.2° | 23.9° |
| H2 | CAH | CAF | H3 | 36.8° | 0.0° |
| H2 | CAH | CAF | H4 | 158.9° | 122.0° |
| H2 | CAH | CAT | H9 | 19.8° | 146.1° |
| H3 | CAF | CAG | H5 | 39.2° | 23.7° |
| H3 | CAF | CAG | H6 | 82.7° | 146.0° |
| H4 | CAF | CAG | H5 | 161.3° | 98.5° |
| H4 | CAF | CAG | H6 | 39.4° | 23.8° |
| H5 | CAG | NAJ | H7 | 26.8° | 82.2° |
| H6 | CAG | NAJ | H7 | 95.2° | 40.2° |
| H7 | NAJ | CAT | H9 | 5.5° | 40.1° |
| H11 | CAC | CAD | H12 | 1.2° | 0.0° |
