A1L0L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAO | CAN | sing | 1.35Å | 1.36Å | |
| OAO | CAP | sing | 1.45Å | 1.43Å | |
| CAM | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAM | CAA | sing | 1.40Å | 1.38Å | Aromatic |
| OAK | CAJ | sing | 1.43Å | 1.42Å | |
| CAN | OAQ | doub | 1.21Å | 1.23Å | |
| CAN | CAA | sing | 1.48Å | 1.39Å | |
| CAL | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | CAJ | sing | 1.53Å | 1.52Å | |
| CAI | OAH | sing | 1.43Å | 1.43Å | |
| CAA | CAB | doub | 1.40Å | 1.39Å | Aromatic |
| OAH | PAE | sing | 1.61Å | 1.59Å | |
| CAD | PAE | sing | 1.81Å | 1.76Å | |
| CAD | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAB | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| PAE | OAG | doub | 1.48Å | 1.58Å | |
| PAE | OAF | sing | 1.61Å | 1.47Å | |
| CAB | H1 | sing | 1.08Å | 1.08Å | |
| CAC | H2 | sing | 1.08Å | 1.08Å | |
| CAI | H3 | sing | 1.09Å | 1.10Å | |
| CAI | H4 | sing | 1.09Å | 1.10Å | |
| CAJ | H5 | sing | 1.09Å | 1.10Å | |
| CAJ | H6 | sing | 1.09Å | 1.10Å | |
| CAL | H7 | sing | 1.08Å | 1.08Å | |
| CAM | H8 | sing | 1.08Å | 1.08Å | |
| CAP | H9 | sing | 1.09Å | 1.10Å | |
| CAP | H10 | sing | 1.09Å | 1.10Å | |
| CAP | H11 | sing | 1.09Å | 1.10Å | |
| OAF | H12 | sing | 0.97Å | 0.95Å | |
| OAK | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAN | OAO | CAP | 113.9° | 117.0° |
| OAO | CAN | OAQ | 123.6° | 120.0° |
| OAO | CAN | CAA | 115.9° | 120.0° |
| OAO | CAP | H9 | 109.5° | 109.5° |
| OAO | CAP | H10 | 109.5° | 109.5° |
| OAO | CAP | H11 | 109.5° | 109.5° |
| CAL | CAM | CAA | 119.8° | 119.8° |
| CAM | CAL | CAD | 120.8° | 120.2° |
| CAM | CAL | H7 | 119.6° | 119.9° |
| CAL | CAM | H8 | 120.1° | 120.1° |
| CAM | CAA | CAN | 119.3° | 120.1° |
| CAM | CAA | CAB | 119.7° | 119.7° |
| CAA | CAM | H8 | 120.1° | 120.1° |
| OAK | CAJ | CAI | 109.4° | 109.5° |
| OAK | CAJ | H5 | 109.5° | 109.5° |
| OAK | CAJ | H6 | 109.5° | 109.5° |
| CAJ | OAK | H13 | 109.5° | 114.0° |
| OAQ | CAN | CAA | 120.4° | 120.0° |
| CAN | CAA | CAB | 121.0° | 120.1° |
| CAL | CAD | PAE | 120.6° | 119.9° |
| CAL | CAD | CAC | 119.3° | 120.3° |
| CAD | CAL | H7 | 119.6° | 119.9° |
| CAJ | CAI | OAH | 111.2° | 109.4° |
| CAJ | CAI | H3 | 109.0° | 109.5° |
| CAJ | CAI | H4 | 109.0° | 109.4° |
| CAI | CAJ | H5 | 109.5° | 109.4° |
| CAI | CAJ | H6 | 109.5° | 109.4° |
| CAI | OAH | PAE | 118.3° | 123.0° |
| OAH | CAI | H3 | 109.1° | 109.5° |
| OAH | CAI | H4 | 109.1° | 109.5° |
| CAA | CAB | CAC | 120.4° | 119.8° |
| CAA | CAB | H1 | 119.8° | 120.1° |
| OAH | PAE | CAD | 109.0° | 109.5° |
| OAH | PAE | OAG | 100.3° | 109.5° |
| OAH | PAE | OAF | 109.2° | 109.5° |
| PAE | CAD | CAC | 120.1° | 119.9° |
| CAD | PAE | OAG | 110.0° | 109.4° |
| CAD | PAE | OAF | 118.7° | 109.5° |
| CAD | CAC | CAB | 120.1° | 120.2° |
| CAD | CAC | H2 | 119.9° | 119.9° |
| CAC | CAB | H1 | 119.8° | 120.0° |
| CAB | CAC | H2 | 120.0° | 119.9° |
| OAG | PAE | OAF | 108.1° | 109.5° |
| PAE | OAF | H12 | 109.5° | 114.0° |
| H3 | CAI | H4 | 109.5° | 109.5° |
| H5 | CAJ | H6 | 109.5° | 109.4° |
| H9 | CAP | H10 | 109.5° | 109.5° |
| H9 | CAP | H11 | 109.5° | 109.4° |
| H10 | CAP | H11 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAO | CAN | CAA | CAM | 95.5° | 0.3° |
| OAO | CAN | OAQ | CAA | 176.5° | 180.0° |
| OAO | CAN | CAA | CAB | 84.9° | 180.0° |
| CAN | OAO | CAP | H9 | 180.0° | 60.0° |
| CAN | OAO | CAP | H10 | 60.0° | 60.0° |
| CAN | OAO | CAP | H11 | 60.0° | 180.0° |
| CAP | OAO | CAN | OAQ | 96.3° | 0.0° |
| CAP | OAO | CAN | CAA | 87.0° | 180.0° |
| OAO | CAP | H9 | H10 | 120.0° | 120.0° |
| OAO | CAP | H9 | H11 | 120.0° | 120.0° |
| OAO | CAP | H10 | H11 | 120.0° | 120.0° |
| CAL | CAM | CAA | H8 | 180.0° | 180.0° |
| CAL | CAM | CAA | CAN | 179.8° | 179.8° |
| CAM | CAL | CAD | H7 | 180.0° | 179.9° |
| CAL | CAM | CAA | CAB | 0.1° | 0.0° |
| CAM | CAL | CAD | PAE | 179.9° | 180.0° |
| CAM | CAL | CAD | CAC | 0.5° | 0.1° |
| CAM | CAA | CAN | OAQ | 81.3° | 179.7° |
| CAM | CAA | CAN | CAB | 179.7° | 179.8° |
| CAA | CAM | CAL | CAD | 0.2° | 0.1° |
| CAM | CAA | CAB | CAC | 0.3° | 0.0° |
| CAM | CAA | CAB | H1 | 179.7° | 180.0° |
| CAA | CAM | CAL | H7 | 179.8° | 180.0° |
| OAK | CAJ | CAI | H5 | 120.0° | 120.0° |
| OAK | CAJ | CAI | H6 | 120.0° | 120.1° |
| OAK | CAJ | CAI | OAH | 175.4° | 65.0° |
| OAK | CAJ | CAI | H3 | 64.3° | 175.0° |
| OAK | CAJ | CAI | H4 | 55.2° | 54.9° |
| OAK | CAJ | H5 | H6 | 120.1° | 120.1° |
| OAQ | CAN | CAA | CAB | 98.3° | 0.0° |
| CAN | CAA | CAB | CAC | 180.0° | 179.7° |
| CAN | CAA | CAB | H1 | 0.1° | 0.3° |
| CAN | CAA | CAM | H8 | 0.2° | 0.3° |
| CAL | CAD | PAE | OAH | 24.0° | 4.9° |
| CAL | CAD | PAE | CAC | 179.4° | 179.9° |
| CAL | CAD | CAC | CAB | 0.7° | 0.1° |
| CAL | CAD | PAE | OAG | 85.0° | 115.1° |
| CAL | CAD | PAE | OAF | 149.8° | 124.9° |
| CAL | CAD | CAC | H2 | 179.3° | 179.9° |
| CAD | CAL | CAM | H8 | 179.7° | 180.0° |
| CAJ | CAI | OAH | H3 | 120.3° | 120.0° |
| CAJ | CAI | OAH | H4 | 120.2° | 119.9° |
| CAJ | CAI | OAH | PAE | 110.5° | 180.0° |
| CAJ | CAI | H3 | H4 | 119.2° | 120.0° |
| CAI | CAJ | H5 | H6 | 120.0° | 119.9° |
| CAI | CAJ | OAK | H13 | 180.0° | 180.0° |
| CAI | OAH | PAE | CAD | 82.8° | 175.0° |
| CAI | OAH | PAE | OAG | 32.7° | 55.0° |
| CAI | OAH | PAE | OAF | 146.0° | 65.0° |
| OAH | CAI | H3 | H4 | 119.2° | 120.0° |
| OAH | CAI | CAJ | H5 | 55.4° | 175.0° |
| OAH | CAI | CAJ | H6 | 64.6° | 55.1° |
| CAA | CAB | CAC | CAD | 0.6° | 0.0° |
| CAA | CAB | CAC | H1 | 180.0° | 180.0° |
| CAA | CAB | CAC | H2 | 179.4° | 180.0° |
| CAB | CAA | CAM | H8 | 179.8° | 180.0° |
| OAH | PAE | CAD | OAG | 109.0° | 120.0° |
| OAH | PAE | CAD | OAF | 125.8° | 120.0° |
| OAH | PAE | CAD | CAC | 155.4° | 175.0° |
| OAH | PAE | OAG | OAF | 114.2° | 120.0° |
| PAE | OAH | CAI | H3 | 129.3° | 60.0° |
| PAE | OAH | CAI | H4 | 9.8° | 60.0° |
| OAH | PAE | OAF | H12 | 108.2° | 60.0° |
| PAE | CAD | CAC | CAB | 179.9° | 179.9° |
| CAD | PAE | OAG | OAF | 131.1° | 120.0° |
| PAE | CAD | CAC | H2 | 0.1° | 0.0° |
| PAE | CAD | CAL | H7 | 0.1° | 0.1° |
| CAD | PAE | OAF | H12 | 126.1° | 60.0° |
| CAD | CAC | CAB | H2 | 180.0° | 180.0° |
| CAC | CAD | PAE | OAG | 95.6° | 65.0° |
| CAC | CAD | PAE | OAF | 29.6° | 55.0° |
| CAD | CAC | CAB | H1 | 179.5° | 180.0° |
| CAC | CAD | CAL | H7 | 179.5° | 180.0° |
| OAG | PAE | OAF | H12 | 0.0° | 180.0° |
| H1 | CAB | CAC | H2 | 0.6° | 0.0° |
| H3 | CAI | CAJ | H5 | 175.7° | 55.0° |
| H3 | CAI | CAJ | H6 | 55.7° | 64.9° |
| H4 | CAI | CAJ | H5 | 64.9° | 65.1° |
| H4 | CAI | CAJ | H6 | 175.1° | 175.0° |
| H5 | CAJ | OAK | H13 | 60.0° | 60.0° |
| H6 | CAJ | OAK | H13 | 60.0° | 60.0° |
| H7 | CAL | CAM | H8 | 0.2° | 0.0° |
| H9 | CAP | H10 | H11 | 120.0° | 120.0° |
