A1L0N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAK | PAE | doub | 1.48Å | 1.48Å | |
| OAJ | PAE | sing | 1.61Å | 1.59Å | |
| PAE | CAD | sing | 1.81Å | 1.70Å | |
| PAE | OAF | sing | 1.61Å | 1.60Å | |
| CAC | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAB | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CAL | sing | 1.38Å | 1.38Å | Aromatic |
| CAB | CAA | doub | 1.40Å | 1.39Å | Aromatic |
| CAL | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAA | CAM | sing | 1.40Å | 1.38Å | Aromatic |
| CAA | CAN | sing | 1.48Å | 1.39Å | |
| CAG | OAF | sing | 1.43Å | 1.43Å | |
| CAG | CAH | sing | 1.53Å | 1.53Å | |
| CAN | OAP | doub | 1.21Å | 1.25Å | |
| CAN | OAO | sing | 1.35Å | 1.25Å | |
| CAH | OAI | sing | 1.43Å | 1.43Å | |
| CAB | H1 | sing | 1.08Å | 1.08Å | |
| CAC | H2 | sing | 1.08Å | 1.08Å | |
| CAG | H3 | sing | 1.09Å | 1.10Å | |
| CAG | H4 | sing | 1.09Å | 1.10Å | |
| CAH | H5 | sing | 1.09Å | 1.10Å | |
| CAH | H6 | sing | 1.09Å | 1.10Å | |
| CAL | H7 | sing | 1.08Å | 1.08Å | |
| CAM | H8 | sing | 1.08Å | 1.08Å | |
| OAI | H9 | sing | 0.97Å | 0.95Å | |
| OAJ | H10 | sing | 0.97Å | 0.95Å | |
| OAO | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAK | PAE | OAJ | 111.2° | 109.5° |
| OAK | PAE | CAD | 119.5° | 109.4° |
| OAK | PAE | OAF | 106.5° | 109.5° |
| OAJ | PAE | CAD | 106.6° | 109.5° |
| OAJ | PAE | OAF | 103.6° | 109.5° |
| PAE | OAJ | H10 | 109.5° | 114.0° |
| CAD | PAE | OAF | 108.3° | 109.5° |
| PAE | CAD | CAC | 120.5° | 119.9° |
| PAE | CAD | CAL | 119.7° | 119.8° |
| PAE | OAF | CAG | 121.3° | 123.0° |
| CAD | CAC | CAB | 119.9° | 120.2° |
| CAC | CAD | CAL | 119.8° | 120.3° |
| CAD | CAC | H2 | 120.1° | 119.9° |
| CAC | CAB | CAA | 120.1° | 119.9° |
| CAC | CAB | H1 | 120.0° | 120.1° |
| CAB | CAC | H2 | 120.1° | 120.0° |
| CAD | CAL | CAM | 120.4° | 120.1° |
| CAD | CAL | H7 | 119.8° | 119.9° |
| CAB | CAA | CAM | 119.8° | 119.7° |
| CAB | CAA | CAN | 120.8° | 120.2° |
| CAA | CAB | H1 | 119.9° | 120.0° |
| CAL | CAM | CAA | 120.0° | 119.8° |
| CAM | CAL | H7 | 119.8° | 119.9° |
| CAL | CAM | H8 | 120.0° | 120.0° |
| CAM | CAA | CAN | 119.3° | 120.1° |
| CAA | CAM | H8 | 120.0° | 120.1° |
| CAA | CAN | OAP | 120.6° | 120.0° |
| CAA | CAN | OAO | 119.5° | 120.0° |
| OAF | CAG | CAH | 110.5° | 109.5° |
| OAF | CAG | H3 | 109.2° | 109.5° |
| OAF | CAG | H4 | 109.2° | 109.4° |
| CAG | CAH | OAI | 109.9° | 109.5° |
| CAH | CAG | H3 | 109.2° | 109.5° |
| CAH | CAG | H4 | 109.2° | 109.5° |
| CAG | CAH | H5 | 109.4° | 109.5° |
| CAG | CAH | H6 | 109.4° | 109.4° |
| OAP | CAN | OAO | 119.8° | 120.0° |
| CAN | OAO | H11 | 109.5° | 117.0° |
| OAI | CAH | H5 | 109.4° | 109.5° |
| OAI | CAH | H6 | 109.4° | 109.5° |
| CAH | OAI | H9 | 109.5° | 114.0° |
| H3 | CAG | H4 | 109.5° | 109.4° |
| H5 | CAH | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAK | PAE | OAJ | CAD | 131.9° | 119.9° |
| OAK | PAE | OAJ | OAF | 114.0° | 120.1° |
| OAK | PAE | CAD | OAF | 122.0° | 120.0° |
| OAK | PAE | CAD | CAC | 122.1° | 65.0° |
| OAK | PAE | CAD | CAL | 58.3° | 115.0° |
| OAK | PAE | OAF | CAG | 52.7° | 55.0° |
| OAK | PAE | OAJ | H10 | 0.0° | 180.0° |
| OAJ | PAE | CAD | OAF | 110.9° | 120.0° |
| OAJ | PAE | CAD | CAC | 4.9° | 55.0° |
| OAJ | PAE | CAD | CAL | 174.6° | 125.0° |
| OAJ | PAE | OAF | CAG | 64.6° | 65.1° |
| PAE | CAD | CAC | CAL | 179.5° | 179.9° |
| PAE | CAD | CAC | CAB | 179.9° | 180.0° |
| PAE | CAD | CAL | CAM | 179.9° | 179.9° |
| CAD | PAE | OAF | CAG | 177.6° | 174.9° |
| PAE | CAD | CAC | H2 | 0.0° | 0.0° |
| PAE | CAD | CAL | H7 | 0.1° | 0.0° |
| CAD | PAE | OAJ | H10 | 131.9° | 60.1° |
| OAF | PAE | CAD | CAC | 115.8° | 175.0° |
| OAF | PAE | CAD | CAL | 63.7° | 5.0° |
| PAE | OAF | CAG | CAH | 107.8° | 180.0° |
| PAE | OAF | CAG | H3 | 132.1° | 59.9° |
| PAE | OAF | CAG | H4 | 12.3° | 60.0° |
| OAF | PAE | OAJ | H10 | 114.0° | 59.9° |
| CAD | CAC | CAB | H2 | 180.0° | 180.0° |
| CAD | CAC | CAB | CAA | 0.3° | 0.0° |
| CAC | CAD | CAL | CAM | 0.5° | 0.0° |
| CAD | CAC | CAB | H1 | 179.7° | 180.0° |
| CAC | CAD | CAL | H7 | 179.5° | 180.0° |
| CAB | CAC | CAD | CAL | 0.5° | 0.0° |
| CAC | CAB | CAA | H1 | 180.0° | 179.9° |
| CAC | CAB | CAA | CAM | 0.2° | 0.0° |
| CAC | CAB | CAA | CAN | 179.7° | 179.7° |
| CAD | CAL | CAM | H7 | 180.0° | 180.0° |
| CAD | CAL | CAM | CAA | 0.4° | 0.0° |
| CAL | CAD | CAC | H2 | 179.5° | 180.0° |
| CAD | CAL | CAM | H8 | 179.6° | 179.7° |
| CAB | CAA | CAM | CAL | 0.2° | 0.0° |
| CAB | CAA | CAM | CAN | 179.5° | 179.7° |
| CAB | CAA | CAN | OAP | 20.7° | 179.7° |
| CAB | CAA | CAN | OAO | 158.1° | 0.3° |
| CAA | CAB | CAC | H2 | 179.7° | 180.0° |
| CAB | CAA | CAM | H8 | 179.8° | 179.7° |
| CAL | CAM | CAA | H8 | 180.0° | 179.7° |
| CAL | CAM | CAA | CAN | 179.7° | 179.7° |
| CAM | CAA | CAN | OAP | 159.8° | 0.0° |
| CAM | CAA | CAN | OAO | 21.4° | 180.0° |
| CAM | CAA | CAB | H1 | 179.8° | 179.9° |
| CAA | CAM | CAL | H7 | 179.6° | 180.0° |
| CAA | CAN | OAP | OAO | 178.8° | 180.0° |
| CAN | CAA | CAB | H1 | 0.3° | 0.3° |
| CAN | CAA | CAM | H8 | 0.2° | 0.0° |
| CAA | CAN | OAO | H11 | 178.8° | 180.0° |
| OAF | CAG | CAH | H3 | 120.1° | 120.1° |
| OAF | CAG | CAH | H4 | 120.2° | 120.0° |
| OAF | CAG | CAH | OAI | 143.0° | 65.0° |
| OAF | CAG | H3 | H4 | 119.6° | 119.9° |
| OAF | CAG | CAH | H5 | 96.9° | 175.0° |
| OAF | CAG | CAH | H6 | 23.0° | 55.0° |
| CAG | CAH | OAI | H5 | 120.1° | 120.0° |
| CAG | CAH | OAI | H6 | 120.1° | 120.0° |
| CAH | CAG | H3 | H4 | 119.5° | 120.0° |
| CAG | CAH | H5 | H6 | 119.8° | 120.0° |
| CAG | CAH | OAI | H9 | 180.0° | 179.9° |
| OAP | CAN | OAO | H11 | 0.0° | 0.0° |
| OAI | CAH | CAG | H3 | 22.9° | 175.0° |
| OAI | CAH | CAG | H4 | 96.8° | 55.0° |
| OAI | CAH | H5 | H6 | 119.8° | 120.0° |
| H1 | CAB | CAC | H2 | 0.3° | 0.0° |
| H3 | CAG | CAH | H5 | 143.0° | 55.0° |
| H3 | CAG | CAH | H6 | 97.1° | 65.0° |
| H4 | CAG | CAH | H5 | 23.2° | 65.0° |
| H4 | CAG | CAH | H6 | 143.1° | 175.0° |
| H5 | CAH | OAI | H9 | 60.0° | 60.1° |
| H6 | CAH | OAI | H9 | 59.9° | 60.0° |
| H7 | CAL | CAM | H8 | 0.4° | 0.4° |
