2JA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAF | PAN | doub | 1.48Å | 1.62Å | |
| PAN | OAE | sing | 1.61Å | 1.62Å | |
| PAN | OAB | sing | 1.61Å | 1.48Å | |
| PAN | OAL | sing | 1.61Å | 1.61Å | |
| OAL | PAO | sing | 1.61Å | 1.62Å | |
| PAO | OAG | doub | 1.48Å | 1.62Å | |
| PAO | OAC | sing | 1.61Å | 1.49Å | |
| PAO | CAK | sing | 1.82Å | 1.70Å | |
| CAI | CAK | sing | 1.53Å | 1.52Å | |
| CAI | CAH | sing | 1.51Å | 1.51Å | |
| CAH | CAM | doub | 1.31Å | 1.52Å | |
| CAM | CAA | sing | 1.51Å | 1.53Å | |
| CAM | CAJ | sing | 1.51Å | 1.51Å | |
| CAJ | OAD | sing | 1.43Å | 1.42Å | |
| OAE | H1 | sing | 0.97Å | 0.95Å | |
| OAB | H2 | sing | 0.97Å | 0.95Å | |
| OAC | H3 | sing | 0.97Å | 0.95Å | |
| CAK | H4 | sing | 1.09Å | 1.10Å | |
| CAK | H5 | sing | 1.09Å | 1.10Å | |
| CAI | H6 | sing | 1.09Å | 1.10Å | |
| CAI | H7 | sing | 1.09Å | 1.10Å | |
| CAH | H8 | sing | 1.08Å | 1.08Å | |
| CAA | H11 | sing | 1.09Å | 1.10Å | |
| CAA | H12 | sing | 1.09Å | 1.10Å | |
| CAA | H13 | sing | 1.09Å | 1.10Å | |
| CAJ | H14 | sing | 1.09Å | 1.10Å | |
| CAJ | H15 | sing | 1.09Å | 1.10Å | |
| OAD | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAF | PAN | OAE | 104.7° | 109.4° |
| OAF | PAN | OAB | 112.0° | 109.5° |
| OAF | PAN | OAL | 104.8° | 109.5° |
| OAE | PAN | OAB | 111.6° | 109.5° |
| OAE | PAN | OAL | 107.2° | 109.5° |
| PAN | OAE | H1 | 109.5° | 114.0° |
| OAB | PAN | OAL | 115.7° | 109.5° |
| PAN | OAB | H2 | 109.5° | 114.0° |
| PAN | OAL | PAO | 124.1° | 134.0° |
| OAL | PAO | OAG | 107.0° | 109.5° |
| OAL | PAO | OAC | 114.5° | 109.5° |
| OAL | PAO | CAK | 106.8° | 109.5° |
| OAG | PAO | OAC | 111.3° | 109.5° |
| OAG | PAO | CAK | 105.4° | 109.5° |
| OAC | PAO | CAK | 111.3° | 109.5° |
| PAO | OAC | H3 | 109.5° | 114.0° |
| PAO | CAK | CAI | 109.0° | 109.5° |
| PAO | CAK | H4 | 109.6° | 109.5° |
| PAO | CAK | H5 | 109.6° | 109.5° |
| CAK | CAI | CAH | 102.9° | 109.5° |
| CAI | CAK | H4 | 109.6° | 109.5° |
| CAI | CAK | H5 | 109.6° | 109.4° |
| CAK | CAI | H6 | 111.1° | 109.5° |
| CAK | CAI | H7 | 111.1° | 109.5° |
| CAI | CAH | CAM | 108.8° | 120.0° |
| CAH | CAI | H6 | 111.1° | 109.5° |
| CAH | CAI | H7 | 111.1° | 109.4° |
| CAI | CAH | H8 | 125.6° | 120.0° |
| CAH | CAM | CAA | 119.4° | 120.0° |
| CAH | CAM | CAJ | 121.1° | 120.0° |
| CAM | CAH | H8 | 125.6° | 120.0° |
| CAA | CAM | CAJ | 119.4° | 120.0° |
| CAM | CAA | H11 | 109.5° | 109.5° |
| CAM | CAA | H12 | 109.5° | 109.4° |
| CAM | CAA | H13 | 109.5° | 109.5° |
| CAM | CAJ | OAD | 106.3° | 109.5° |
| CAM | CAJ | H14 | 110.2° | 109.5° |
| CAM | CAJ | H15 | 110.3° | 109.4° |
| OAD | CAJ | H14 | 110.3° | 109.5° |
| OAD | CAJ | H15 | 110.3° | 109.5° |
| CAJ | OAD | H16 | 109.5° | 114.0° |
| H4 | CAK | H5 | 109.5° | 109.5° |
| H6 | CAI | H7 | 109.5° | 109.5° |
| H11 | CAA | H12 | 109.5° | 109.5° |
| H11 | CAA | H13 | 109.5° | 109.5° |
| H12 | CAA | H13 | 109.4° | 109.5° |
| H14 | CAJ | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAF | PAN | OAE | OAB | 121.4° | 120.0° |
| OAF | PAN | OAE | OAL | 111.0° | 120.0° |
| OAF | PAN | OAB | OAL | 120.0° | 120.0° |
| OAF | PAN | OAL | PAO | 158.7° | 40.0° |
| OAF | PAN | OAE | H1 | 0.0° | 180.0° |
| OAF | PAN | OAB | H2 | 0.0° | 59.9° |
| OAE | PAN | OAB | OAL | 122.9° | 120.0° |
| OAE | PAN | OAL | PAO | 90.4° | 80.0° |
| OAE | PAN | OAB | H2 | 117.1° | 60.0° |
| OAB | PAN | OAL | PAO | 34.8° | 160.0° |
| OAB | PAN | OAE | H1 | 121.4° | 60.0° |
| PAN | OAL | PAO | OAG | 159.7° | 60.0° |
| PAN | OAL | PAO | OAC | 35.9° | 60.0° |
| PAN | OAL | PAO | CAK | 87.8° | 180.0° |
| OAL | PAN | OAE | H1 | 111.0° | 60.1° |
| OAL | PAN | OAB | H2 | 120.0° | 179.9° |
| OAL | PAO | OAG | OAC | 125.7° | 120.0° |
| OAL | PAO | OAG | CAK | 113.4° | 120.0° |
| OAL | PAO | OAC | CAK | 121.3° | 120.0° |
| OAL | PAO | CAK | CAI | 77.2° | 175.0° |
| OAL | PAO | OAC | H3 | 121.5° | 60.0° |
| OAL | PAO | CAK | H4 | 42.6° | 55.0° |
| OAL | PAO | CAK | H5 | 162.8° | 65.0° |
| OAG | PAO | OAC | CAK | 117.3° | 120.0° |
| OAG | PAO | CAK | CAI | 36.3° | 55.0° |
| OAG | PAO | OAC | H3 | 0.0° | 180.0° |
| OAG | PAO | CAK | H4 | 156.2° | 65.0° |
| OAG | PAO | CAK | H5 | 83.6° | 175.0° |
| OAC | PAO | CAK | CAI | 157.1° | 65.0° |
| OAC | PAO | CAK | H4 | 83.0° | 175.0° |
| OAC | PAO | CAK | H5 | 37.2° | 55.0° |
| PAO | CAK | CAI | H4 | 119.9° | 120.0° |
| PAO | CAK | CAI | H5 | 119.9° | 120.0° |
| PAO | CAK | CAI | CAH | 174.7° | 180.0° |
| CAK | PAO | OAC | H3 | 117.3° | 60.0° |
| PAO | CAK | H4 | H5 | 120.3° | 120.0° |
| PAO | CAK | CAI | H6 | 55.7° | 60.0° |
| PAO | CAK | CAI | H7 | 66.4° | 60.0° |
| CAK | CAI | CAH | H6 | 119.0° | 120.1° |
| CAK | CAI | CAH | H7 | 118.9° | 120.0° |
| CAK | CAI | CAH | CAM | 99.9° | 121.5° |
| CAI | CAK | H4 | H5 | 120.2° | 120.0° |
| CAK | CAI | H6 | H7 | 123.0° | 120.0° |
| CAK | CAI | CAH | H8 | 80.2° | 58.5° |
| CAI | CAH | CAM | H8 | 180.0° | 179.9° |
| CAI | CAH | CAM | CAA | 4.4° | 5.9° |
| CAI | CAH | CAM | CAJ | 179.9° | 174.1° |
| CAH | CAI | CAK | H4 | 65.4° | 59.9° |
| CAH | CAI | CAK | H5 | 54.8° | 60.0° |
| CAH | CAI | H6 | H7 | 123.1° | 119.9° |
| CAH | CAM | CAA | CAJ | 175.8° | 180.0° |
| CAH | CAM | CAJ | OAD | 59.4° | 0.0° |
| CAM | CAH | CAI | H6 | 19.1° | 1.4° |
| CAM | CAH | CAI | H7 | 141.2° | 118.6° |
| CAH | CAM | CAA | H11 | 180.0° | 84.8° |
| CAH | CAM | CAA | H12 | 60.0° | 155.2° |
| CAH | CAM | CAA | H13 | 60.0° | 35.3° |
| CAH | CAM | CAJ | H14 | 178.9° | 120.0° |
| CAH | CAM | CAJ | H15 | 60.1° | 120.0° |
| CAA | CAM | CAJ | OAD | 124.8° | 180.0° |
| CAA | CAM | CAH | H8 | 175.6° | 174.1° |
| CAM | CAA | H11 | H12 | 120.0° | 120.0° |
| CAM | CAA | H11 | H13 | 120.0° | 120.1° |
| CAM | CAA | H12 | H13 | 119.9° | 120.0° |
| CAA | CAM | CAJ | H14 | 5.4° | 60.0° |
| CAA | CAM | CAJ | H15 | 115.6° | 60.0° |
| CAM | CAJ | OAD | H14 | 119.5° | 120.0° |
| CAM | CAJ | OAD | H15 | 119.5° | 120.0° |
| CAJ | CAM | CAH | H8 | 0.2° | 5.9° |
| CAJ | CAM | CAA | H11 | 4.2° | 95.2° |
| CAJ | CAM | CAA | H12 | 124.2° | 24.8° |
| CAJ | CAM | CAA | H13 | 115.9° | 144.8° |
| CAM | CAJ | H14 | H15 | 121.5° | 120.0° |
| CAM | CAJ | OAD | H16 | 180.0° | 180.0° |
| OAD | CAJ | H14 | H15 | 121.5° | 120.1° |
| H4 | CAK | CAI | H6 | 175.6° | 180.0° |
| H4 | CAK | CAI | H7 | 53.5° | 60.0° |
| H5 | CAK | CAI | H6 | 64.2° | 60.0° |
| H5 | CAK | CAI | H7 | 173.7° | 180.0° |
| H6 | CAI | CAH | H8 | 160.9° | 178.6° |
| H7 | CAI | CAH | H8 | 38.8° | 61.5° |
| H11 | CAA | H12 | H13 | 120.0° | 120.0° |
| H14 | CAJ | OAD | H16 | 60.5° | 60.1° |
| H15 | CAJ | OAD | H16 | 60.5° | 60.0° |
