A1L0M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAG | PAE | doub | 1.48Å | 1.61Å | |
| OAF | PAE | sing | 1.61Å | 1.48Å | |
| PAE | CAD | sing | 1.81Å | 1.70Å | |
| PAE | OAH | sing | 1.61Å | 1.63Å | |
| CAC | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAB | sing | 1.38Å | 1.40Å | Aromatic |
| CAI | OAH | sing | 1.43Å | 1.43Å | |
| CAI | CAJ | sing | 1.53Å | 1.54Å | |
| CAD | CAS | sing | 1.38Å | 1.38Å | Aromatic |
| CAB | CAA | doub | 1.40Å | 1.39Å | Aromatic |
| CAJ | OAK | sing | 1.43Å | 1.44Å | |
| CAS | CAT | doub | 1.38Å | 1.38Å | Aromatic |
| CAX | OAW | sing | 1.45Å | 1.43Å | |
| CAA | CAT | sing | 1.40Å | 1.38Å | Aromatic |
| CAA | CAU | sing | 1.48Å | 1.39Å | |
| OAW | CAU | sing | 1.35Å | 1.36Å | |
| OAK | CAL | sing | 1.43Å | 1.44Å | |
| CAU | OAV | doub | 1.21Å | 1.23Å | |
| CAL | CAM | sing | 1.51Å | 1.40Å | |
| CAM | CAN | doub | 1.38Å | 1.39Å | Aromatic |
| CAM | CAR | sing | 1.38Å | 1.40Å | Aromatic |
| CAN | CAO | sing | 1.38Å | 1.39Å | Aromatic |
| CAR | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| CAO | CAP | doub | 1.38Å | 1.39Å | Aromatic |
| CAQ | CAP | sing | 1.38Å | 1.39Å | Aromatic |
| 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 | 1.09Å | 1.10Å | |
| CAL | H8 | sing | 1.09Å | 1.10Å | |
| CAN | H9 | sing | 1.08Å | 1.08Å | |
| CAO | H10 | sing | 1.08Å | 1.08Å | |
| CAP | H11 | sing | 1.08Å | 1.08Å | |
| CAQ | H12 | sing | 1.08Å | 1.08Å | |
| CAR | H13 | sing | 1.08Å | 1.08Å | |
| CAS | H14 | sing | 1.08Å | 1.08Å | |
| CAT | H15 | sing | 1.08Å | 1.08Å | |
| CAX | H16 | sing | 1.09Å | 1.10Å | |
| CAX | H17 | sing | 1.09Å | 1.10Å | |
| CAX | H18 | sing | 1.09Å | 1.10Å | |
| OAF | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAG | PAE | OAF | 109.7° | 109.4° |
| OAG | PAE | CAD | 113.0° | 109.5° |
| OAG | PAE | OAH | 102.9° | 109.5° |
| OAF | PAE | CAD | 117.8° | 109.5° |
| OAF | PAE | OAH | 110.0° | 109.5° |
| PAE | OAF | H19 | 109.5° | 114.0° |
| CAD | PAE | OAH | 102.1° | 109.5° |
| PAE | CAD | CAC | 123.1° | 119.8° |
| PAE | CAD | CAS | 116.5° | 119.9° |
| PAE | OAH | CAI | 125.1° | 123.0° |
| CAD | CAC | CAB | 119.2° | 120.1° |
| CAC | CAD | CAS | 120.3° | 120.3° |
| CAD | CAC | H2 | 120.4° | 119.9° |
| CAC | CAB | CAA | 120.2° | 119.9° |
| CAC | CAB | H1 | 119.9° | 120.1° |
| CAB | CAC | H2 | 120.4° | 119.9° |
| OAH | CAI | CAJ | 110.0° | 109.4° |
| OAH | CAI | H3 | 109.3° | 109.5° |
| OAH | CAI | H4 | 109.3° | 109.5° |
| CAI | CAJ | OAK | 113.2° | 109.5° |
| CAJ | CAI | H3 | 109.3° | 109.5° |
| CAJ | CAI | H4 | 109.3° | 109.5° |
| CAI | CAJ | H5 | 108.6° | 109.4° |
| CAI | CAJ | H6 | 108.5° | 109.5° |
| CAD | CAS | CAT | 120.6° | 120.2° |
| CAD | CAS | H14 | 119.7° | 120.0° |
| CAB | CAA | CAT | 120.1° | 119.7° |
| CAB | CAA | CAU | 121.9° | 120.2° |
| CAA | CAB | H1 | 119.9° | 120.1° |
| CAJ | OAK | CAL | 112.2° | 114.0° |
| OAK | CAJ | H5 | 108.5° | 109.4° |
| OAK | CAJ | H6 | 108.6° | 109.5° |
| CAS | CAT | CAA | 119.6° | 119.8° |
| CAT | CAS | H14 | 119.7° | 119.9° |
| CAS | CAT | H15 | 120.2° | 120.1° |
| CAX | OAW | CAU | 108.0° | 117.0° |
| OAW | CAX | H16 | 109.5° | 109.5° |
| OAW | CAX | H17 | 109.5° | 109.5° |
| OAW | CAX | H18 | 109.5° | 109.5° |
| CAT | CAA | CAU | 118.0° | 120.1° |
| CAA | CAT | H15 | 120.2° | 120.1° |
| CAA | CAU | OAW | 114.4° | 120.0° |
| CAA | CAU | OAV | 120.9° | 120.0° |
| OAW | CAU | OAV | 124.3° | 120.0° |
| OAK | CAL | CAM | 112.4° | 109.5° |
| OAK | CAL | H7 | 108.8° | 109.5° |
| OAK | CAL | H8 | 108.8° | 109.5° |
| CAL | CAM | CAN | 121.2° | 120.0° |
| CAL | CAM | CAR | 118.8° | 120.0° |
| CAM | CAL | H7 | 108.7° | 109.4° |
| CAM | CAL | H8 | 108.7° | 109.4° |
| CAN | CAM | CAR | 120.0° | 120.0° |
| CAM | CAN | CAO | 119.3° | 120.0° |
| CAM | CAN | H9 | 120.4° | 120.0° |
| CAM | CAR | CAQ | 120.6° | 120.0° |
| CAM | CAR | H13 | 119.7° | 120.0° |
| CAN | CAO | CAP | 120.7° | 120.0° |
| CAO | CAN | H9 | 120.3° | 120.0° |
| CAN | CAO | H10 | 119.7° | 120.0° |
| CAR | CAQ | CAP | 119.4° | 120.0° |
| CAR | CAQ | H12 | 120.3° | 120.0° |
| CAQ | CAR | H13 | 119.7° | 120.0° |
| CAO | CAP | CAQ | 120.0° | 120.0° |
| CAP | CAO | H10 | 119.7° | 120.0° |
| CAO | CAP | H11 | 120.0° | 120.0° |
| CAQ | CAP | H11 | 120.0° | 120.0° |
| CAP | CAQ | H12 | 120.3° | 120.0° |
| H3 | CAI | H4 | 109.5° | 109.5° |
| H5 | CAJ | H6 | 109.4° | 109.5° |
| H7 | CAL | H8 | 109.5° | 109.5° |
| H16 | CAX | H17 | 109.4° | 109.5° |
| H16 | CAX | H18 | 109.5° | 109.5° |
| H17 | CAX | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAG | PAE | OAF | CAD | 131.1° | 120.0° |
| OAG | PAE | OAF | OAH | 112.5° | 120.0° |
| OAG | PAE | CAD | OAH | 109.8° | 120.0° |
| OAG | PAE | CAD | CAC | 93.1° | 65.0° |
| OAG | PAE | OAH | CAI | 28.2° | 55.0° |
| OAG | PAE | CAD | CAS | 89.8° | 115.1° |
| OAG | PAE | OAF | H19 | 0.0° | 180.0° |
| OAF | PAE | CAD | OAH | 120.6° | 120.0° |
| OAF | PAE | CAD | CAC | 36.5° | 55.0° |
| OAF | PAE | OAH | CAI | 88.7° | 65.0° |
| OAF | PAE | CAD | CAS | 140.6° | 125.0° |
| PAE | CAD | CAC | CAS | 177.1° | 179.9° |
| PAE | CAD | CAC | CAB | 179.3° | 180.0° |
| CAD | PAE | OAH | CAI | 145.5° | 175.0° |
| PAE | CAD | CAS | CAT | 179.1° | 180.0° |
| PAE | CAD | CAC | H2 | 0.6° | 0.1° |
| PAE | CAD | CAS | H14 | 0.9° | 0.0° |
| CAD | PAE | OAF | H19 | 131.1° | 60.0° |
| OAH | PAE | CAD | CAC | 157.1° | 175.0° |
| PAE | OAH | CAI | CAJ | 150.6° | 180.0° |
| OAH | PAE | CAD | CAS | 20.1° | 5.0° |
| PAE | OAH | CAI | H3 | 89.3° | 60.0° |
| PAE | OAH | CAI | H4 | 30.6° | 60.0° |
| OAH | PAE | OAF | H19 | 112.5° | 60.0° |
| CAD | CAC | CAB | H2 | 180.0° | 179.9° |
| CAD | CAC | CAB | CAA | 1.5° | 0.1° |
| CAC | CAD | CAS | CAT | 1.9° | 0.1° |
| CAD | CAC | CAB | H1 | 178.5° | 180.0° |
| CAC | CAD | CAS | H14 | 178.1° | 179.9° |
| CAB | CAC | CAD | CAS | 2.3° | 0.1° |
| CAC | CAB | CAA | H1 | 180.0° | 179.9° |
| CAC | CAB | CAA | CAT | 0.2° | 0.0° |
| CAC | CAB | CAA | CAU | 179.1° | 179.8° |
| OAH | CAI | CAJ | H3 | 120.1° | 120.0° |
| OAH | CAI | CAJ | H4 | 120.1° | 120.0° |
| OAH | CAI | CAJ | OAK | 38.2° | 65.0° |
| OAH | CAI | H3 | H4 | 119.7° | 120.0° |
| OAH | CAI | CAJ | H5 | 158.8° | 175.0° |
| OAH | CAI | CAJ | H6 | 82.4° | 55.0° |
| CAI | CAJ | OAK | H5 | 120.6° | 119.9° |
| CAI | CAJ | OAK | H6 | 120.5° | 120.0° |
| CAI | CAJ | OAK | CAL | 94.2° | 180.0° |
| CAJ | CAI | H3 | H4 | 119.7° | 120.0° |
| CAI | CAJ | H5 | H6 | 118.3° | 120.0° |
| CAD | CAS | CAT | H14 | 180.0° | 180.0° |
| CAD | CAS | CAT | CAA | 0.6° | 0.0° |
| CAS | CAD | CAC | H2 | 177.7° | 180.0° |
| CAD | CAS | CAT | H15 | 179.4° | 179.7° |
| CAB | CAA | CAT | CAS | 0.2° | 0.0° |
| CAB | CAA | CAT | CAU | 178.9° | 179.7° |
| CAB | CAA | CAU | OAW | 35.0° | 0.2° |
| CAB | CAA | CAU | OAV | 152.0° | 179.7° |
| CAA | CAB | CAC | H2 | 178.5° | 180.0° |
| CAB | CAA | CAT | H15 | 179.8° | 179.7° |
| CAJ | OAK | CAL | CAM | 115.3° | 180.0° |
| OAK | CAJ | CAI | H3 | 81.9° | 175.0° |
| OAK | CAJ | CAI | H4 | 158.2° | 55.0° |
| OAK | CAJ | H5 | H6 | 118.3° | 120.0° |
| CAJ | OAK | CAL | H7 | 5.1° | 60.0° |
| CAJ | OAK | CAL | H8 | 124.3° | 60.1° |
| CAS | CAT | CAA | H15 | 180.0° | 179.8° |
| CAS | CAT | CAA | CAU | 178.7° | 179.7° |
| CAX | OAW | CAU | CAA | 93.7° | 180.0° |
| CAX | OAW | CAU | OAV | 79.0° | 0.1° |
| OAW | CAX | H16 | H17 | 120.0° | 120.0° |
| OAW | CAX | H16 | H18 | 120.0° | 120.0° |
| OAW | CAX | H17 | H18 | 120.0° | 120.0° |
| CAT | CAA | CAU | OAW | 143.9° | 180.0° |
| CAT | CAA | CAU | OAV | 29.1° | 0.0° |
| CAT | CAA | CAB | H1 | 179.7° | 180.0° |
| CAA | CAT | CAS | H14 | 179.4° | 180.0° |
| CAA | CAU | OAW | OAV | 172.7° | 179.9° |
| CAU | CAA | CAB | H1 | 0.9° | 0.3° |
| CAU | CAA | CAT | H15 | 1.3° | 0.0° |
| CAU | OAW | CAX | H16 | 180.0° | 180.0° |
| CAU | OAW | CAX | H17 | 60.0° | 60.0° |
| CAU | OAW | CAX | H18 | 60.0° | 60.0° |
| OAK | CAL | CAM | H7 | 120.4° | 120.0° |
| OAK | CAL | CAM | H8 | 120.5° | 120.0° |
| OAK | CAL | CAM | CAN | 22.2° | 90.0° |
| OAK | CAL | CAM | CAR | 158.3° | 90.2° |
| CAL | OAK | CAJ | H5 | 145.2° | 60.1° |
| CAL | OAK | CAJ | H6 | 26.3° | 60.0° |
| OAK | CAL | H7 | H8 | 118.7° | 120.0° |
| CAL | CAM | CAN | CAR | 179.5° | 179.8° |
| CAL | CAM | CAN | CAO | 179.7° | 180.0° |
| CAL | CAM | CAR | CAQ | 179.7° | 179.8° |
| CAM | CAL | H7 | H8 | 118.7° | 120.0° |
| CAL | CAM | CAN | H9 | 0.3° | 0.0° |
| CAL | CAM | CAR | H13 | 0.3° | 0.1° |
| CAM | CAN | CAO | H9 | 180.0° | 179.9° |
| CAN | CAM | CAR | CAQ | 0.2° | 0.5° |
| CAM | CAN | CAO | CAP | 0.1° | 0.0° |
| CAN | CAM | CAL | H7 | 98.2° | 150.0° |
| CAN | CAM | CAL | H8 | 142.7° | 30.0° |
| CAM | CAN | CAO | H10 | 179.9° | 180.0° |
| CAN | CAM | CAR | H13 | 179.8° | 179.7° |
| CAR | CAM | CAN | CAO | 0.1° | 0.3° |
| CAM | CAR | CAQ | H13 | 180.0° | 179.8° |
| CAM | CAR | CAQ | CAP | 0.0° | 0.5° |
| CAR | CAM | CAL | H7 | 81.3° | 29.8° |
| CAR | CAM | CAL | H8 | 37.8° | 149.8° |
| CAR | CAM | CAN | H9 | 179.9° | 179.8° |
| CAM | CAR | CAQ | H12 | 180.0° | 179.7° |
| CAN | CAO | CAP | H10 | 180.0° | 180.0° |
| CAN | CAO | CAP | CAQ | 0.3° | 0.0° |
| CAN | CAO | CAP | H11 | 179.7° | 180.0° |
| CAR | CAQ | CAP | CAO | 0.3° | 0.2° |
| CAR | CAQ | CAP | H12 | 180.0° | 179.8° |
| CAR | CAQ | CAP | H11 | 179.7° | 179.8° |
| CAO | CAP | CAQ | H11 | 180.0° | 180.0° |
| CAP | CAO | CAN | H9 | 179.9° | 180.0° |
| CAO | CAP | CAQ | H12 | 179.7° | 180.0° |
| CAQ | CAP | CAO | H10 | 179.7° | 180.0° |
| CAP | CAQ | CAR | H13 | 180.0° | 179.7° |
| H1 | CAB | CAC | H2 | 1.5° | 0.1° |
| H3 | CAI | CAJ | H5 | 38.7° | 55.1° |
| H3 | CAI | CAJ | H6 | 157.6° | 65.0° |
| H4 | CAI | CAJ | H5 | 81.2° | 64.9° |
| H4 | CAI | CAJ | H6 | 37.7° | 175.0° |
| H9 | CAN | CAO | H10 | 0.1° | 0.0° |
| H10 | CAO | CAP | H11 | 0.3° | 0.0° |
| H11 | CAP | CAQ | H12 | 0.3° | 0.0° |
| H12 | CAQ | CAR | H13 | 0.0° | 0.1° |
| H14 | CAS | CAT | H15 | 0.6° | 0.3° |
| H16 | CAX | H17 | H18 | 120.0° | 120.0° |
