A1L3A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAT | NAL | sing | 1.46Å | 1.48Å | |
| NAL | CAM | sing | 1.34Å | 1.33Å | Aromatic |
| NAL | NAK | sing | 1.40Å | 1.21Å | Aromatic |
| CAM | CAN | doub | 1.38Å | 1.32Å | Aromatic |
| NAK | CAS | doub | 1.32Å | 1.33Å | Aromatic |
| CAN | CAS | sing | 1.47Å | 1.33Å | Aromatic |
| CAN | CAO | sing | 1.41Å | 1.33Å | Aromatic |
| CAS | CAR | sing | 1.41Å | 1.33Å | Aromatic |
| CAO | CAP | doub | 1.36Å | 1.39Å | Aromatic |
| CAR | CAQ | doub | 1.36Å | 1.39Å | Aromatic |
| CAP | CAQ | sing | 1.40Å | 1.39Å | Aromatic |
| CAP | CAJ | sing | 1.51Å | 1.39Å | |
| FAV | CAJ | sing | 1.40Å | 1.32Å | |
| CAQ | FAU | sing | 1.35Å | 1.35Å | |
| FAW | CAJ | sing | 1.40Å | 1.30Å | |
| NAY | CAZ | doub | 1.31Å | 1.33Å | Aromatic |
| NAY | NAX | sing | 1.40Å | 1.24Å | Aromatic |
| CAJ | CAI | sing | 1.51Å | 1.53Å | |
| CAZ | CBA | sing | 1.41Å | 1.32Å | Aromatic |
| CBD | CBC | sing | 1.53Å | 1.52Å | |
| CBD | CBE | sing | 1.53Å | 1.52Å | |
| NAX | CBC | sing | 1.46Å | 1.48Å | |
| NAX | CBB | sing | 1.35Å | 1.33Å | Aromatic |
| CBC | CBE | sing | 1.53Å | 1.52Å | |
| NAE | NAF | sing | 1.40Å | 1.13Å | Aromatic |
| NAE | CAD | doub | 1.32Å | 1.34Å | Aromatic |
| CBA | CBB | doub | 1.37Å | 1.32Å | Aromatic |
| CBA | CAD | sing | 1.48Å | 1.33Å | |
| CAI | NAF | sing | 1.35Å | 1.32Å | Aromatic |
| CAI | NAG | doub | 1.31Å | 1.33Å | Aromatic |
| NAF | CAA | sing | 1.37Å | 1.33Å | Aromatic |
| CAD | CAC | sing | 1.41Å | 1.39Å | Aromatic |
| NAG | NAH | sing | 1.29Å | 1.23Å | Aromatic |
| CAA | NAH | doub | 1.32Å | 1.34Å | Aromatic |
| CAA | CAB | sing | 1.41Å | 1.33Å | Aromatic |
| CAC | CAB | doub | 1.36Å | 1.39Å | Aromatic |
| CAB | H1 | sing | 1.08Å | 1.08Å | |
| CAC | H2 | sing | 1.08Å | 1.08Å | |
| CAM | H3 | sing | 1.08Å | 1.08Å | |
| CAO | H4 | sing | 1.08Å | 1.08Å | |
| CAR | H5 | sing | 1.08Å | 1.08Å | |
| CAT | H6 | sing | 1.09Å | 1.10Å | |
| CAT | H7 | sing | 1.09Å | 1.10Å | |
| CAT | H8 | sing | 1.09Å | 1.10Å | |
| CAZ | H9 | sing | 1.08Å | 1.08Å | |
| CBB | H10 | sing | 1.08Å | 1.08Å | |
| CBC | H11 | sing | 1.09Å | 1.10Å | |
| CBD | H12 | sing | 1.09Å | 1.10Å | |
| CBD | H13 | sing | 1.09Å | 1.10Å | |
| CBE | H14 | sing | 1.09Å | 1.10Å | |
| CBE | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAT | NAL | CAM | 123.7° | 125.0° |
| CAT | NAL | NAK | 126.2° | 125.0° |
| NAL | CAT | H6 | 109.5° | 109.5° |
| NAL | CAT | H7 | 109.4° | 109.5° |
| NAL | CAT | H8 | 109.5° | 109.5° |
| CAM | NAL | NAK | 110.1° | 109.9° |
| NAL | CAM | CAN | 107.1° | 107.9° |
| NAL | CAM | H3 | 126.4° | 126.0° |
| NAL | NAK | CAS | 109.9° | 109.0° |
| CAM | CAN | CAS | 106.0° | 106.4° |
| CAM | CAN | CAO | 132.2° | 134.8° |
| CAN | CAM | H3 | 126.4° | 126.0° |
| NAK | CAS | CAN | 106.9° | 106.8° |
| NAK | CAS | CAR | 131.9° | 134.6° |
| CAS | CAN | CAO | 121.8° | 118.8° |
| CAN | CAS | CAR | 121.1° | 118.6° |
| CAN | CAO | CAP | 119.8° | 119.6° |
| CAN | CAO | H4 | 120.1° | 120.2° |
| CAS | CAR | CAQ | 120.0° | 119.5° |
| CAS | CAR | H5 | 120.0° | 120.2° |
| CAO | CAP | CAQ | 118.5° | 121.7° |
| CAO | CAP | CAJ | 119.6° | 119.2° |
| CAP | CAO | H4 | 120.1° | 120.2° |
| CAR | CAQ | CAP | 118.7° | 121.8° |
| CAR | CAQ | FAU | 120.1° | 119.1° |
| CAQ | CAR | H5 | 120.0° | 120.3° |
| CAQ | CAP | CAJ | 121.9° | 119.1° |
| CAP | CAQ | FAU | 121.2° | 119.1° |
| CAP | CAJ | FAV | 108.5° | 109.5° |
| CAP | CAJ | FAW | 109.8° | 109.5° |
| CAP | CAJ | CAI | 110.0° | 109.5° |
| FAV | CAJ | FAW | 109.2° | 109.5° |
| FAV | CAJ | CAI | 109.5° | 109.4° |
| FAW | CAJ | CAI | 109.8° | 109.4° |
| CAZ | NAY | NAX | 109.9° | 108.6° |
| NAY | CAZ | CBA | 105.7° | 108.0° |
| NAY | CAZ | H9 | 127.2° | 126.1° |
| NAY | NAX | CBC | 124.5° | 125.9° |
| NAY | NAX | CBB | 110.0° | 108.3° |
| CAJ | CAI | NAF | 124.9° | 126.2° |
| CAJ | CAI | NAG | 125.7° | 126.1° |
| CAZ | CBA | CBB | 108.9° | 107.5° |
| CAZ | CBA | CAD | 125.0° | 126.2° |
| CBA | CAZ | H9 | 127.2° | 126.0° |
| CBC | CBD | CBE | 60.0° | 60.0° |
| CBD | CBC | NAX | 115.4° | 117.5° |
| CBD | CBC | CBE | 60.0° | 60.0° |
| CBD | CBC | H11 | 117.3° | 117.5° |
| CBC | CBD | H12 | 120.0° | 117.5° |
| CBC | CBD | H13 | 120.0° | 117.5° |
| CBD | CBE | CBC | 60.0° | 60.0° |
| CBE | CBD | H12 | 120.0° | 117.5° |
| CBE | CBD | H13 | 120.0° | 117.4° |
| CBD | CBE | H14 | 120.0° | 117.5° |
| CBD | CBE | H15 | 120.0° | 117.5° |
| CBC | NAX | CBB | 125.5° | 125.8° |
| NAX | CBC | CBE | 115.7° | 117.5° |
| NAX | CBC | H11 | 118.1° | 115.5° |
| NAX | CBB | CBA | 105.5° | 107.6° |
| NAX | CBB | H10 | 127.2° | 126.2° |
| CBE | CBC | H11 | 117.4° | 117.5° |
| CBC | CBE | H14 | 120.0° | 117.5° |
| CBC | CBE | H15 | 120.0° | 117.5° |
| NAF | NAE | CAD | 120.1° | 120.5° |
| NAE | NAF | CAI | 127.4° | 133.9° |
| NAE | NAF | CAA | 127.7° | 120.0° |
| NAE | CAD | CBA | 119.6° | 119.6° |
| NAE | CAD | CAC | 119.4° | 120.8° |
| CBB | CBA | CAD | 126.1° | 126.3° |
| CBA | CBB | H10 | 127.2° | 126.2° |
| CBA | CAD | CAC | 121.0° | 119.7° |
| NAF | CAI | NAG | 109.4° | 107.7° |
| CAI | NAF | CAA | 104.9° | 106.1° |
| CAI | NAG | NAH | 108.1° | 110.2° |
| NAF | CAA | NAH | 107.7° | 106.8° |
| NAF | CAA | CAB | 119.1° | 119.5° |
| CAD | CAC | CAB | 116.9° | 120.1° |
| CAD | CAC | H2 | 121.5° | 120.0° |
| NAG | NAH | CAA | 109.9° | 109.2° |
| NAH | CAA | CAB | 133.2° | 133.7° |
| CAA | CAB | CAC | 116.8° | 119.1° |
| CAA | CAB | H1 | 121.6° | 120.4° |
| CAC | CAB | H1 | 121.6° | 120.5° |
| CAB | CAC | H2 | 121.5° | 119.9° |
| H6 | CAT | H7 | 109.5° | 109.5° |
| H6 | CAT | H8 | 109.5° | 109.4° |
| H7 | CAT | H8 | 109.5° | 109.5° |
| H12 | CBD | H13 | 109.5° | 115.6° |
| H14 | CBE | H15 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAT | NAL | CAM | NAK | 179.9° | 179.6° |
| CAT | NAL | CAM | CAN | 179.9° | 180.0° |
| CAT | NAL | NAK | CAS | 179.9° | 180.0° |
| CAT | NAL | CAM | H3 | 0.1° | 0.3° |
| NAL | CAT | H6 | H7 | 120.0° | 120.0° |
| NAL | CAT | H6 | H8 | 120.0° | 120.0° |
| NAL | CAT | H7 | H8 | 120.0° | 120.0° |
| NAL | CAM | CAN | H3 | 180.0° | 179.7° |
| CAM | NAL | NAK | CAS | 0.0° | 0.4° |
| NAL | CAM | CAN | CAS | 0.0° | 0.2° |
| NAL | CAM | CAN | CAO | 180.0° | 179.7° |
| CAM | NAL | CAT | H6 | 179.9° | 90.0° |
| CAM | NAL | CAT | H7 | 60.1° | 150.0° |
| CAM | NAL | CAT | H8 | 59.9° | 30.0° |
| NAK | NAL | CAM | CAN | 0.0° | 0.4° |
| NAL | NAK | CAS | CAN | 0.0° | 0.2° |
| NAL | NAK | CAS | CAR | 179.9° | 179.7° |
| NAK | NAL | CAM | H3 | 180.0° | 179.9° |
| NAK | NAL | CAT | H6 | 0.0° | 89.6° |
| NAK | NAL | CAT | H7 | 120.0° | 30.4° |
| NAK | NAL | CAT | H8 | 120.0° | 150.5° |
| CAM | CAN | CAS | NAK | 0.0° | 0.0° |
| CAM | CAN | CAS | CAO | 179.9° | 180.0° |
| CAM | CAN | CAS | CAR | 179.9° | 180.0° |
| CAM | CAN | CAO | CAP | 180.0° | 179.9° |
| CAM | CAN | CAO | H4 | 0.0° | 0.0° |
| NAK | CAS | CAN | CAR | 180.0° | 180.0° |
| NAK | CAS | CAN | CAO | 180.0° | 180.0° |
| NAK | CAS | CAR | CAQ | 179.9° | 179.9° |
| NAK | CAS | CAR | H5 | 0.1° | 0.1° |
| CAS | CAN | CAO | CAP | 0.1° | 0.1° |
| CAN | CAS | CAR | CAQ | 0.2° | 0.0° |
| CAS | CAN | CAM | H3 | 180.0° | 179.9° |
| CAS | CAN | CAO | H4 | 179.9° | 180.0° |
| CAN | CAS | CAR | H5 | 179.8° | 180.0° |
| CAO | CAN | CAS | CAR | 0.0° | 0.0° |
| CAN | CAO | CAP | H4 | 180.0° | 179.9° |
| CAN | CAO | CAP | CAQ | 0.0° | 0.1° |
| CAN | CAO | CAP | CAJ | 180.0° | 180.0° |
| CAO | CAN | CAM | H3 | 0.0° | 0.1° |
| CAS | CAR | CAQ | H5 | 180.0° | 180.0° |
| CAS | CAR | CAQ | CAP | 0.2° | 0.0° |
| CAS | CAR | CAQ | FAU | 180.0° | 180.0° |
| CAO | CAP | CAQ | CAR | 0.2° | 0.0° |
| CAO | CAP | CAQ | CAJ | 180.0° | 179.9° |
| CAO | CAP | CAJ | FAV | 3.9° | 127.5° |
| CAO | CAP | CAQ | FAU | 179.9° | 180.0° |
| CAO | CAP | CAJ | FAW | 123.2° | 7.5° |
| CAO | CAP | CAJ | CAI | 115.9° | 112.5° |
| CAR | CAQ | CAP | FAU | 179.8° | 180.0° |
| CAR | CAQ | CAP | CAJ | 179.9° | 180.0° |
| CAQ | CAP | CAJ | FAV | 176.1° | 52.5° |
| CAQ | CAP | CAJ | FAW | 56.8° | 172.5° |
| CAQ | CAP | CAJ | CAI | 64.1° | 67.5° |
| CAQ | CAP | CAO | H4 | 180.0° | 180.0° |
| CAP | CAQ | CAR | H5 | 179.8° | 179.9° |
| CAP | CAJ | FAV | FAW | 119.7° | 120.0° |
| CAP | CAJ | FAV | CAI | 120.1° | 120.0° |
| CAJ | CAP | CAQ | FAU | 0.1° | 0.0° |
| CAP | CAJ | FAW | CAI | 121.1° | 120.0° |
| CAP | CAJ | CAI | NAF | 81.7° | 175.4° |
| CAP | CAJ | CAI | NAG | 98.2° | 3.8° |
| CAJ | CAP | CAO | H4 | 0.1° | 0.1° |
| FAV | CAJ | FAW | CAI | 120.1° | 120.0° |
| FAV | CAJ | CAI | NAF | 37.5° | 64.6° |
| FAV | CAJ | CAI | NAG | 142.6° | 116.2° |
| FAU | CAQ | CAR | H5 | 0.0° | 0.0° |
| FAW | CAJ | CAI | NAF | 157.4° | 55.4° |
| FAW | CAJ | CAI | NAG | 22.7° | 123.8° |
| NAY | CAZ | CBA | H9 | 180.0° | 179.8° |
| CAZ | NAY | NAX | CBC | 179.8° | 179.9° |
| CAZ | NAY | NAX | CBB | 0.1° | 0.4° |
| NAY | CAZ | CBA | CBB | 0.0° | 0.2° |
| NAY | CAZ | CBA | CAD | 179.9° | 179.8° |
| NAX | NAY | CAZ | CBA | 0.1° | 0.4° |
| NAY | NAX | CBC | CBD | 50.2° | 163.9° |
| NAY | NAX | CBC | CBB | 179.6° | 179.7° |
| NAY | NAX | CBC | CBE | 117.6° | 95.3° |
| NAY | NAX | CBB | CBA | 0.1° | 0.2° |
| NAX | NAY | CAZ | H9 | 179.9° | 179.9° |
| NAY | NAX | CBB | H10 | 179.9° | 179.8° |
| NAY | NAX | CBC | H11 | 95.8° | 50.4° |
| CAJ | CAI | NAF | NAE | 0.1° | 0.0° |
| CAJ | CAI | NAF | NAG | 180.0° | 179.3° |
| CAJ | CAI | NAF | CAA | 179.9° | 179.4° |
| CAJ | CAI | NAG | NAH | 180.0° | 179.6° |
| CAZ | CBA | CBB | NAX | 0.1° | 0.0° |
| CAZ | CBA | CAD | NAE | 1.6° | 180.0° |
| CAZ | CBA | CBB | CAD | 179.9° | 180.0° |
| CAZ | CBA | CAD | CAC | 178.3° | 0.0° |
| CAZ | CBA | CBB | H10 | 179.9° | 180.0° |
| CBC | CBD | CBE | H12 | 109.4° | 107.5° |
| CBC | CBD | CBE | H13 | 109.4° | 107.5° |
| CBD | CBC | NAX | CBE | 67.4° | 68.7° |
| CBD | CBC | NAX | H11 | 146.1° | 145.7° |
| CBD | CBC | NAX | CBB | 130.2° | 16.4° |
| CBD | CBC | CBE | H11 | 107.4° | 107.5° |
| CBC | CBD | H12 | H13 | 144.7° | 145.7° |
| CBC | CBD | CBE | H14 | 109.5° | 107.5° |
| CBC | CBD | CBE | H15 | 109.5° | 107.4° |
| CBE | CBD | H12 | H13 | 144.8° | 145.6° |
| CBD | CBE | H14 | H15 | 144.7° | 145.7° |
| NAX | CBC | CBE | H11 | 146.8° | 145.0° |
| CBC | NAX | CBB | CBA | 179.7° | 180.0° |
| CBC | NAX | CBB | H10 | 0.3° | 0.0° |
| NAX | CBC | CBD | H12 | 3.2° | 0.0° |
| NAX | CBC | CBD | H13 | 144.3° | 145.1° |
| NAX | CBC | CBE | H14 | 3.6° | 145.0° |
| NAX | CBC | CBE | H15 | 144.7° | 0.0° |
| CBB | NAX | CBC | CBE | 62.9° | 85.0° |
| NAX | CBB | CBA | H10 | 180.0° | 180.0° |
| NAX | CBB | CBA | CAD | 179.9° | 180.0° |
| CBB | NAX | CBC | H11 | 83.7° | 129.3° |
| CBC | CBE | H14 | H15 | 144.8° | 145.6° |
| NAF | NAE | CAD | CBA | 179.8° | 179.7° |
| NAE | NAF | CAI | CAA | 179.8° | 179.4° |
| NAE | NAF | CAI | NAG | 179.8° | 179.3° |
| NAF | NAE | CAD | CAC | 0.2° | 0.3° |
| NAE | NAF | CAA | NAH | 179.9° | 179.7° |
| NAE | NAF | CAA | CAB | 0.1° | 0.6° |
| NAE | CAD | CBA | CBB | 178.4° | 0.0° |
| NAE | CAD | CBA | CAC | 180.0° | 180.0° |
| CAD | NAE | NAF | CAI | 179.9° | 180.0° |
| CAD | NAE | NAF | CAA | 0.2° | 0.6° |
| NAE | CAD | CAC | CAB | 0.1° | 0.0° |
| NAE | CAD | CAC | H2 | 179.9° | 180.0° |
| CBB | CBA | CAD | CAC | 1.6° | 180.0° |
| CBB | CBA | CAZ | H9 | 180.0° | 180.0° |
| CBA | CAD | CAC | CAB | 179.9° | 180.0° |
| CBA | CAD | CAC | H2 | 0.1° | 0.0° |
| CAD | CBA | CAZ | H9 | 0.1° | 0.0° |
| CAD | CBA | CBB | H10 | 0.1° | 0.0° |
| NAF | CAI | NAG | NAH | 0.0° | 0.3° |
| CAI | NAF | CAA | NAH | 0.1° | 0.1° |
| CAI | NAF | CAA | CAB | 179.9° | 179.9° |
| NAG | CAI | NAF | CAA | 0.1° | 0.1° |
| CAI | NAG | NAH | CAA | 0.1° | 0.4° |
| NAF | CAA | NAH | NAG | 0.1° | 0.3° |
| NAF | CAA | NAH | CAB | 180.0° | 179.7° |
| NAF | CAA | CAB | CAC | 0.0° | 0.3° |
| NAF | CAA | CAB | H1 | 179.9° | 179.7° |
| CAD | CAC | CAB | CAA | 0.0° | 0.0° |
| CAD | CAC | CAB | H2 | 180.0° | 180.0° |
| CAD | CAC | CAB | H1 | 180.0° | 180.0° |
| NAG | NAH | CAA | CAB | 179.9° | 180.0° |
| NAH | CAA | CAB | CAC | 180.0° | 180.0° |
| NAH | CAA | CAB | H1 | 0.0° | 0.0° |
| CAA | CAB | CAC | H1 | 180.0° | 180.0° |
| CAA | CAB | CAC | H2 | 180.0° | 180.0° |
| H1 | CAB | CAC | H2 | 0.0° | 0.0° |
| H6 | CAT | H7 | H8 | 120.0° | 120.0° |
| H11 | CBC | CBD | H12 | 143.1° | 145.0° |
| H11 | CBC | CBD | H13 | 2.1° | 0.1° |
| H11 | CBC | CBE | H14 | 143.2° | 0.0° |
| H11 | CBC | CBE | H15 | 2.1° | 145.0° |
| H12 | CBD | CBE | H14 | 0.1° | 145.0° |
| H12 | CBD | CBE | H15 | 141.1° | 0.1° |
| H13 | CBD | CBE | H14 | 141.1° | 0.0° |
| H13 | CBD | CBE | H15 | 0.0° | 145.1° |
