0SY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | NAI | doub | 1.32Å | 1.41Å | Aromatic |
| CAB | CAD | sing | 1.38Å | 1.40Å | Aromatic |
| NAI | CAC | sing | 1.32Å | 1.43Å | Aromatic |
| CAD | CAM | doub | 1.40Å | 1.41Å | Aromatic |
| CAC | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| CAM | CAE | sing | 1.40Å | 1.40Å | Aromatic |
| CAM | CAN | sing | 1.48Å | 1.36Å | |
| CAF | CAN | doub | 1.36Å | 1.36Å | Aromatic |
| CAF | CAO | sing | 1.40Å | 1.36Å | Aromatic |
| CAN | NAK | sing | 1.38Å | 1.34Å | Aromatic |
| OAA | CAL | doub | 1.22Å | 1.23Å | |
| CAO | CAL | sing | 1.47Å | 1.35Å | |
| CAO | CAP | doub | 1.39Å | 1.36Å | Aromatic |
| CAL | NAJ | sing | 1.35Å | 1.40Å | |
| NAK | CAP | sing | 1.33Å | 1.34Å | Aromatic |
| CAP | CAH | sing | 1.51Å | 1.43Å | |
| NAJ | CAG | sing | 1.46Å | 1.47Å | |
| CAH | CAG | sing | 1.53Å | 1.51Å | |
| CAF | H1 | sing | 1.08Å | 1.08Å | |
| NAJ | H2 | sing | 0.97Å | 1.00Å | |
| CAG | H3 | sing | 1.09Å | 1.10Å | |
| CAH | H4 | sing | 1.09Å | 1.10Å | |
| NAK | H5 | sing | 0.97Å | 1.00Å | |
| CAD | H6 | sing | 1.08Å | 1.08Å | |
| CAB | H7 | sing | 1.08Å | 1.08Å | |
| CAC | H8 | sing | 1.08Å | 1.08Å | |
| CAE | H9 | sing | 1.08Å | 1.08Å | |
| CAG | H10 | sing | 1.09Å | 1.10Å | |
| CAH | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAI | CAB | CAD | 120.0° | 120.9° |
| CAB | NAI | CAC | 119.8° | 122.1° |
| NAI | CAB | H7 | 120.0° | 119.5° |
| CAB | CAD | CAM | 120.9° | 119.0° |
| CAB | CAD | H6 | 119.6° | 120.5° |
| CAD | CAB | H7 | 120.0° | 119.6° |
| NAI | CAC | CAE | 118.9° | 120.9° |
| NAI | CAC | H8 | 120.6° | 119.5° |
| CAD | CAM | CAE | 118.8° | 118.2° |
| CAD | CAM | CAN | 122.6° | 120.9° |
| CAM | CAD | H6 | 119.5° | 120.5° |
| CAC | CAE | CAM | 121.7° | 119.0° |
| CAE | CAC | H8 | 120.6° | 119.5° |
| CAC | CAE | H9 | 119.2° | 120.5° |
| CAE | CAM | CAN | 118.6° | 121.0° |
| CAM | CAE | H9 | 119.2° | 120.5° |
| CAM | CAN | CAF | 127.1° | 125.7° |
| CAM | CAN | NAK | 122.6° | 125.8° |
| CAN | CAF | CAO | 107.1° | 106.7° |
| CAF | CAN | NAK | 110.0° | 108.5° |
| CAN | CAF | H1 | 126.4° | 126.6° |
| CAF | CAO | CAL | 133.7° | 131.8° |
| CAF | CAO | CAP | 106.3° | 107.4° |
| CAO | CAF | H1 | 126.5° | 126.6° |
| CAN | NAK | CAP | 105.6° | 109.2° |
| CAN | NAK | H5 | 127.2° | 125.5° |
| OAA | CAL | CAO | 121.9° | 121.7° |
| OAA | CAL | NAJ | 116.5° | 121.7° |
| CAL | CAO | CAP | 120.0° | 120.7° |
| CAO | CAL | NAJ | 121.5° | 116.7° |
| CAO | CAP | NAK | 111.0° | 108.1° |
| CAO | CAP | CAH | 124.4° | 121.0° |
| CAL | NAJ | CAG | 122.8° | 122.6° |
| CAL | NAJ | H2 | 118.6° | 118.7° |
| NAK | CAP | CAH | 124.6° | 130.9° |
| CAP | NAK | H5 | 127.2° | 125.4° |
| CAP | CAH | CAG | 117.5° | 108.8° |
| CAP | CAH | H4 | 107.4° | 109.6° |
| CAP | CAH | H11 | 107.4° | 109.7° |
| NAJ | CAG | CAH | 113.7° | 112.9° |
| CAG | NAJ | H2 | 118.6° | 118.7° |
| NAJ | CAG | H3 | 108.4° | 108.8° |
| NAJ | CAG | H10 | 108.4° | 108.7° |
| CAH | CAG | H3 | 108.4° | 108.8° |
| CAG | CAH | H4 | 107.4° | 109.6° |
| CAH | CAG | H10 | 108.4° | 108.7° |
| CAG | CAH | H11 | 107.4° | 109.6° |
| H3 | CAG | H10 | 109.5° | 108.8° |
| H4 | CAH | H11 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAI | CAB | CAD | H7 | 180.0° | 179.9° |
| NAI | CAB | CAD | CAM | 0.5° | 0.0° |
| CAB | NAI | CAC | CAE | 0.4° | 0.1° |
| NAI | CAB | CAD | H6 | 179.5° | 179.9° |
| CAB | NAI | CAC | H8 | 179.6° | 180.0° |
| CAD | CAB | NAI | CAC | 0.6° | 0.1° |
| CAB | CAD | CAM | H6 | 180.0° | 179.9° |
| CAB | CAD | CAM | CAE | 0.2° | 0.0° |
| CAB | CAD | CAM | CAN | 178.7° | 179.7° |
| NAI | CAC | CAE | H8 | 180.0° | 179.9° |
| NAI | CAC | CAE | CAM | 0.1° | 0.0° |
| CAC | NAI | CAB | H7 | 179.4° | 180.0° |
| NAI | CAC | CAE | H9 | 179.9° | 179.7° |
| CAD | CAM | CAE | CAC | 0.0° | 0.0° |
| CAD | CAM | CAE | CAN | 178.5° | 179.7° |
| CAD | CAM | CAN | CAF | 3.4° | 179.7° |
| CAD | CAM | CAN | NAK | 169.4° | 0.4° |
| CAM | CAD | CAB | H7 | 179.5° | 179.9° |
| CAD | CAM | CAE | H9 | 180.0° | 179.7° |
| CAC | CAE | CAM | H9 | 180.0° | 179.7° |
| CAC | CAE | CAM | CAN | 178.6° | 179.7° |
| CAE | CAM | CAN | CAF | 178.1° | 0.0° |
| CAE | CAM | CAN | NAK | 9.1° | 179.9° |
| CAE | CAM | CAD | H6 | 179.8° | 180.0° |
| CAM | CAE | CAC | H8 | 179.9° | 179.9° |
| CAM | CAN | CAF | NAK | 173.6° | 179.9° |
| CAM | CAN | CAF | CAO | 177.7° | 180.0° |
| CAM | CAN | NAK | CAP | 177.5° | 179.9° |
| CAM | CAN | CAF | H1 | 2.3° | 0.3° |
| CAM | CAN | NAK | H5 | 2.6° | 0.2° |
| CAN | CAM | CAD | H6 | 1.3° | 0.4° |
| CAN | CAM | CAE | H9 | 1.4° | 0.0° |
| CAN | CAF | CAO | H1 | 180.0° | 179.7° |
| CAN | CAF | CAO | CAL | 176.4° | 179.8° |
| CAN | CAF | CAO | CAP | 2.9° | 0.1° |
| CAF | CAN | NAK | CAP | 3.5° | 0.0° |
| CAF | CAN | NAK | H5 | 176.5° | 179.9° |
| CAO | CAF | CAN | NAK | 4.1° | 0.0° |
| CAF | CAO | CAL | OAA | 3.5° | 12.7° |
| CAF | CAO | CAL | CAP | 179.2° | 179.9° |
| CAF | CAO | CAL | NAJ | 179.1° | 167.3° |
| CAF | CAO | CAP | NAK | 0.8° | 0.1° |
| CAF | CAO | CAP | CAH | 179.3° | 179.9° |
| CAN | NAK | CAP | CAO | 1.7° | 0.1° |
| CAN | NAK | CAP | H5 | 180.0° | 179.9° |
| CAN | NAK | CAP | CAH | 176.9° | 179.9° |
| NAK | CAN | CAF | H1 | 175.9° | 179.8° |
| OAA | CAL | CAO | NAJ | 177.3° | 180.0° |
| OAA | CAL | CAO | CAP | 177.2° | 167.2° |
| OAA | CAL | NAJ | CAG | 177.6° | 172.0° |
| OAA | CAL | NAJ | H2 | 2.4° | 8.1° |
| CAL | CAO | CAP | NAK | 178.7° | 179.8° |
| CAL | CAO | CAP | CAH | 0.1° | 0.2° |
| CAO | CAL | NAJ | CAG | 0.1° | 8.0° |
| CAL | CAO | CAF | H1 | 3.6° | 0.1° |
| CAO | CAL | NAJ | H2 | 179.9° | 171.9° |
| CAP | CAO | CAL | NAJ | 0.1° | 12.8° |
| CAO | CAP | NAK | CAH | 178.5° | 180.0° |
| CAO | CAP | CAH | CAG | 0.1° | 29.1° |
| CAP | CAO | CAF | H1 | 177.1° | 179.8° |
| CAO | CAP | CAH | H4 | 121.3° | 148.9° |
| CAO | CAP | NAK | H5 | 178.3° | 179.8° |
| CAO | CAP | CAH | H11 | 121.0° | 90.8° |
| CAL | NAJ | CAG | H2 | 180.0° | 179.9° |
| CAL | NAJ | CAG | CAH | 0.3° | 39.1° |
| CAL | NAJ | CAG | H3 | 121.0° | 81.8° |
| CAL | NAJ | CAG | H10 | 120.3° | 159.8° |
| NAK | CAP | CAH | CAG | 178.2° | 150.9° |
| NAK | CAP | CAH | H4 | 57.1° | 31.1° |
| NAK | CAP | CAH | H11 | 60.6° | 89.3° |
| CAP | CAH | CAG | NAJ | 0.3° | 46.5° |
| CAP | CAH | CAG | H4 | 121.2° | 119.8° |
| CAP | CAH | CAG | H11 | 121.1° | 119.9° |
| CAP | CAH | CAG | H3 | 121.0° | 74.4° |
| CAP | CAH | H4 | H11 | 116.4° | 120.4° |
| CAH | CAP | NAK | H5 | 3.1° | 0.2° |
| CAP | CAH | CAG | H10 | 120.3° | 167.2° |
| NAJ | CAG | CAH | H3 | 120.6° | 120.9° |
| NAJ | CAG | CAH | H10 | 120.6° | 120.8° |
| NAJ | CAG | H3 | H10 | 118.1° | 118.3° |
| NAJ | CAG | CAH | H4 | 121.5° | 166.2° |
| NAJ | CAG | CAH | H11 | 120.8° | 73.4° |
| CAH | CAG | NAJ | H2 | 179.7° | 140.9° |
| CAH | CAG | H3 | H10 | 118.0° | 118.3° |
| CAG | CAH | H4 | H11 | 116.3° | 120.3° |
| H2 | NAJ | CAG | H3 | 59.0° | 98.2° |
| H2 | NAJ | CAG | H10 | 59.7° | 20.1° |
| H3 | CAG | CAH | H4 | 117.9° | 45.3° |
| H3 | CAG | CAH | H11 | 0.2° | 165.7° |
| H4 | CAH | CAG | H10 | 0.9° | 73.0° |
| H6 | CAD | CAB | H7 | 0.5° | 0.0° |
| H8 | CAC | CAE | H9 | 0.1° | 0.4° |
| H10 | CAG | CAH | H11 | 118.6° | 47.3° |
