2J9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | SAP | doub | 1.42Å | 1.52Å | |
| SAP | NAJ | sing | 1.67Å | 1.65Å | |
| SAP | OAA | doub | 1.42Å | 1.53Å | |
| SAP | CAM | sing | 1.77Å | 1.75Å | |
| NAJ | CAI | sing | 1.48Å | 1.49Å | |
| CAI | NAO | sing | 1.46Å | 1.48Å | |
| CAM | CAF | doub | 1.38Å | 1.41Å | Aromatic |
| CAM | CAL | sing | 1.39Å | 1.43Å | Aromatic |
| CAF | CAK | sing | 1.38Å | 1.41Å | Aromatic |
| NAO | CAL | sing | 1.39Å | 1.36Å | |
| NAO | CAN | sing | 1.47Å | 1.51Å | |
| CAL | CAE | doub | 1.40Å | 1.41Å | Aromatic |
| CAK | FAC | sing | 1.35Å | 1.36Å | |
| CAK | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAH | CAN | sing | 1.53Å | 1.54Å | |
| CAH | CAG | sing | 1.53Å | 1.53Å | |
| CAN | CAG | sing | 1.53Å | 1.53Å | |
| CAE | CAD | sing | 1.38Å | 1.40Å | Aromatic |
| CAG | H1 | sing | 1.09Å | 1.10Å | |
| CAG | H2 | sing | 1.09Å | 1.10Å | |
| CAH | H3 | sing | 1.09Å | 1.10Å | |
| CAH | H4 | sing | 1.09Å | 1.10Å | |
| CAN | H5 | sing | 1.09Å | 1.10Å | |
| CAI | H6 | sing | 1.09Å | 1.10Å | |
| CAI | H7 | sing | 1.09Å | 1.10Å | |
| NAJ | H8 | sing | 0.97Å | 1.00Å | |
| CAE | H9 | sing | 1.08Å | 1.08Å | |
| CAD | H10 | sing | 1.08Å | 1.08Å | |
| CAF | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | SAP | NAJ | 109.9° | 106.9° |
| OAB | SAP | OAA | 111.7° | 123.6° |
| OAB | SAP | CAM | 111.1° | 107.0° |
| NAJ | SAP | OAA | 110.1° | 107.0° |
| NAJ | SAP | CAM | 105.7° | 103.8° |
| SAP | NAJ | CAI | 110.2° | 114.6° |
| SAP | NAJ | H8 | 109.3° | 122.8° |
| OAA | SAP | CAM | 108.0° | 106.9° |
| SAP | CAM | CAF | 118.9° | 119.4° |
| SAP | CAM | CAL | 119.9° | 119.7° |
| NAJ | CAI | NAO | 111.3° | 109.3° |
| NAJ | CAI | H6 | 109.0° | 109.5° |
| NAJ | CAI | H7 | 109.0° | 109.5° |
| CAI | NAJ | H8 | 109.3° | 122.6° |
| CAI | NAO | CAL | 121.7° | 117.2° |
| CAI | NAO | CAN | 110.7° | 111.0° |
| NAO | CAI | H6 | 109.0° | 109.5° |
| NAO | CAI | H7 | 109.0° | 109.5° |
| CAF | CAM | CAL | 121.1° | 120.9° |
| CAM | CAF | CAK | 117.5° | 120.2° |
| CAM | CAF | H11 | 121.2° | 119.9° |
| CAM | CAL | NAO | 121.0° | 124.1° |
| CAM | CAL | CAE | 119.4° | 118.5° |
| CAF | CAK | FAC | 119.6° | 120.2° |
| CAF | CAK | CAD | 122.0° | 119.5° |
| CAK | CAF | H11 | 121.3° | 119.9° |
| CAL | NAO | CAN | 125.0° | 111.0° |
| NAO | CAL | CAE | 119.6° | 117.5° |
| NAO | CAN | CAH | 126.8° | 117.5° |
| NAO | CAN | CAG | 124.2° | 117.5° |
| NAO | CAN | H5 | 112.4° | 115.6° |
| CAL | CAE | CAD | 119.9° | 120.6° |
| CAL | CAE | H9 | 120.0° | 119.7° |
| FAC | CAK | CAD | 118.4° | 120.2° |
| CAK | CAD | CAE | 120.2° | 120.3° |
| CAK | CAD | H10 | 119.9° | 119.8° |
| CAN | CAH | CAG | 59.8° | 60.0° |
| CAH | CAN | CAG | 59.8° | 60.0° |
| CAN | CAH | H3 | 120.1° | 117.5° |
| CAN | CAH | H4 | 120.0° | 117.5° |
| CAH | CAN | H5 | 111.9° | 117.5° |
| CAH | CAG | CAN | 60.4° | 60.0° |
| CAH | CAG | H1 | 119.9° | 117.5° |
| CAH | CAG | H2 | 119.9° | 117.5° |
| CAG | CAH | H3 | 120.0° | 117.5° |
| CAG | CAH | H4 | 120.0° | 117.6° |
| CAN | CAG | H1 | 119.9° | 117.5° |
| CAN | CAG | H2 | 119.9° | 117.5° |
| CAG | CAN | H5 | 112.0° | 117.5° |
| CAD | CAE | H9 | 120.1° | 119.7° |
| CAE | CAD | H10 | 119.9° | 119.9° |
| H1 | CAG | H2 | 109.5° | 115.5° |
| H3 | CAH | H4 | 109.5° | 115.5° |
| H6 | CAI | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | SAP | NAJ | OAA | 123.5° | 134.2° |
| OAB | SAP | NAJ | CAM | 120.0° | 113.0° |
| OAB | SAP | OAA | CAM | 122.6° | 124.7° |
| OAB | SAP | NAJ | CAI | 164.6° | 149.5° |
| OAB | SAP | CAM | CAF | 47.9° | 61.2° |
| OAB | SAP | CAM | CAL | 133.9° | 118.9° |
| OAB | SAP | NAJ | H8 | 75.3° | 30.6° |
| NAJ | SAP | OAA | CAM | 115.0° | 110.7° |
| SAP | NAJ | CAI | H8 | 120.1° | 179.9° |
| SAP | NAJ | CAI | NAO | 63.6° | 63.6° |
| NAJ | SAP | CAM | CAF | 167.1° | 174.1° |
| NAJ | SAP | CAM | CAL | 14.7° | 6.0° |
| SAP | NAJ | CAI | H6 | 56.6° | 176.4° |
| SAP | NAJ | CAI | H7 | 176.1° | 56.3° |
| OAA | SAP | NAJ | CAI | 71.9° | 76.3° |
| OAA | SAP | CAM | CAF | 75.0° | 73.1° |
| OAA | SAP | CAM | CAL | 103.2° | 106.9° |
| OAA | SAP | NAJ | H8 | 48.2° | 103.6° |
| CAM | SAP | NAJ | CAI | 44.6° | 36.5° |
| SAP | CAM | CAF | CAL | 178.2° | 179.9° |
| SAP | CAM | CAF | CAK | 179.9° | 179.2° |
| SAP | CAM | CAL | NAO | 0.5° | 1.7° |
| SAP | CAM | CAL | CAE | 179.2° | 178.8° |
| CAM | SAP | NAJ | H8 | 164.7° | 143.5° |
| SAP | CAM | CAF | H11 | 0.1° | 0.8° |
| NAJ | CAI | NAO | H6 | 120.2° | 120.0° |
| NAJ | CAI | NAO | H7 | 120.3° | 120.0° |
| NAJ | CAI | NAO | CAL | 50.9° | 58.7° |
| NAJ | CAI | NAO | CAN | 146.4° | 172.3° |
| NAJ | CAI | H6 | H7 | 119.2° | 120.1° |
| CAI | NAO | CAL | CAM | 17.4° | 27.8° |
| CAI | NAO | CAL | CAN | 160.0° | 128.9° |
| CAI | NAO | CAL | CAE | 162.4° | 152.6° |
| CAI | NAO | CAN | CAH | 55.2° | 47.8° |
| CAI | NAO | CAN | CAG | 130.7° | 116.4° |
| CAI | NAO | CAN | H5 | 89.0° | 97.9° |
| NAO | CAI | H6 | H7 | 119.2° | 120.1° |
| NAO | CAI | NAJ | H8 | 176.2° | 116.5° |
| CAM | CAF | CAK | H11 | 180.0° | 180.0° |
| CAF | CAM | CAL | NAO | 178.7° | 178.4° |
| CAF | CAM | CAL | CAE | 1.0° | 1.1° |
| CAM | CAF | CAK | FAC | 179.4° | 179.9° |
| CAM | CAF | CAK | CAD | 1.2° | 0.1° |
| CAL | CAM | CAF | CAK | 1.7° | 0.7° |
| CAM | CAL | NAO | CAE | 179.8° | 179.6° |
| CAM | CAL | NAO | CAN | 177.4° | 156.7° |
| CAM | CAL | CAE | CAD | 0.1° | 0.7° |
| CAM | CAL | CAE | H9 | 179.9° | 179.1° |
| CAL | CAM | CAF | H11 | 178.4° | 179.3° |
| CAF | CAK | FAC | CAD | 179.4° | 180.0° |
| CAF | CAK | CAD | CAE | 0.1° | 0.5° |
| CAF | CAK | CAD | H10 | 179.9° | 179.5° |
| CAL | NAO | CAN | CAH | 142.9° | 180.0° |
| CAL | NAO | CAN | CAG | 67.4° | 111.4° |
| NAO | CAL | CAE | CAD | 179.8° | 178.8° |
| CAL | NAO | CAN | H5 | 72.9° | 34.2° |
| CAL | NAO | CAI | H6 | 69.3° | 178.7° |
| CAL | NAO | CAI | H7 | 171.2° | 61.2° |
| NAO | CAL | CAE | H9 | 0.2° | 1.3° |
| CAN | NAO | CAL | CAE | 2.3° | 23.7° |
| NAO | CAN | CAH | CAG | 112.1° | 107.4° |
| NAO | CAN | CAH | H5 | 144.3° | 145.1° |
| NAO | CAN | CAG | H5 | 140.5° | 145.0° |
| NAO | CAN | CAG | H1 | 134.1° | 144.9° |
| NAO | CAN | CAG | H2 | 6.7° | 0.0° |
| NAO | CAN | CAH | H3 | 138.5° | 0.1° |
| NAO | CAN | CAH | H4 | 2.7° | 145.0° |
| CAN | NAO | CAI | H6 | 93.3° | 52.4° |
| CAN | NAO | CAI | H7 | 26.2° | 67.7° |
| CAL | CAE | CAD | CAK | 0.5° | 0.1° |
| CAL | CAE | CAD | H9 | 180.0° | 179.9° |
| CAL | CAE | CAD | H10 | 179.5° | 180.0° |
| FAC | CAK | CAD | CAE | 179.5° | 179.5° |
| FAC | CAK | CAD | H10 | 0.5° | 0.5° |
| FAC | CAK | CAF | H11 | 0.6° | 0.2° |
| CAK | CAD | CAE | H10 | 180.0° | 179.9° |
| CAK | CAD | CAE | H9 | 179.5° | 180.0° |
| CAD | CAK | CAF | H11 | 178.8° | 179.9° |
| CAN | CAH | CAG | H3 | 109.4° | 107.5° |
| CAN | CAH | CAG | H4 | 109.4° | 107.5° |
| CAH | CAN | CAG | H5 | 103.2° | 107.5° |
| CAN | CAH | CAG | H1 | 109.6° | 107.5° |
| CAN | CAH | CAG | H2 | 109.6° | 107.5° |
| CAN | CAH | H3 | H4 | 144.9° | 145.6° |
| CAH | CAG | H1 | H2 | 144.5° | 145.7° |
| CAG | CAH | H3 | H4 | 144.9° | 145.8° |
| CAN | CAG | H1 | H2 | 144.5° | 145.6° |
| H1 | CAG | CAH | H3 | 0.1° | 145.0° |
| H1 | CAG | CAH | H4 | 141.0° | 0.0° |
| H1 | CAG | CAN | H5 | 6.4° | 0.1° |
| H2 | CAG | CAH | H3 | 141.0° | 0.0° |
| H2 | CAG | CAH | H4 | 0.2° | 145.0° |
| H2 | CAG | CAN | H5 | 147.2° | 145.0° |
| H3 | CAH | CAN | H5 | 5.8° | 145.0° |
| H4 | CAH | CAN | H5 | 147.0° | 0.1° |
| H6 | CAI | NAJ | H8 | 63.5° | 3.5° |
| H7 | CAI | NAJ | H8 | 56.0° | 123.6° |
| H9 | CAE | CAD | H10 | 0.5° | 0.1° |
