A1L40
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.24Å | |
| OAN | PAL | doub | 1.48Å | 1.56Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| OAV | CAT | doub | 1.21Å | 1.30Å | |
| OAM | PAL | sing | 1.61Å | 1.52Å | |
| PAL | OAO | sing | 1.61Å | 1.47Å | |
| PAL | OAK | sing | 1.61Å | 1.65Å | |
| CA | CAT | sing | 1.51Å | 1.56Å | |
| CA | N | sing | 1.46Å | 1.51Å | |
| CAT | OAU | sing | 1.34Å | 1.24Å | |
| CAJ | OAK | sing | 1.43Å | 1.43Å | |
| CAJ | CAH | sing | 1.51Å | 1.39Å | |
| N | CAB | doub | 1.29Å | 1.44Å | |
| CAB | CAC | sing | 1.48Å | 1.40Å | |
| CAH | CAC | doub | 1.40Å | 1.41Å | Aromatic |
| CAH | CAG | sing | 1.38Å | 1.41Å | Aromatic |
| CAC | CAD | sing | 1.41Å | 1.42Å | Aromatic |
| CAG | NAF | doub | 1.32Å | 1.41Å | Aromatic |
| CAD | OAI | sing | 1.36Å | 1.37Å | |
| CAD | CAE | doub | 1.39Å | 1.42Å | Aromatic |
| NAF | CAE | sing | 1.32Å | 1.36Å | Aromatic |
| CAE | CAP | sing | 1.51Å | 1.46Å | |
| OAO | H1 | sing | 0.97Å | 0.95Å | |
| OAM | H2 | sing | 0.97Å | 0.95Å | |
| CAJ | H3 | sing | 1.09Å | 1.10Å | |
| CAJ | H4 | sing | 1.09Å | 1.10Å | |
| CAG | H5 | sing | 1.08Å | 1.08Å | |
| CAP | H6 | sing | 1.09Å | 1.10Å | |
| CAP | H7 | sing | 1.09Å | 1.10Å | |
| CAP | H8 | sing | 1.09Å | 1.10Å | |
| OAI | H9 | sing | 0.97Å | 0.95Å | |
| CAB | H10 | sing | 1.08Å | 1.08Å | |
| CA | H14 | sing | 1.09Å | 1.10Å | |
| OAU | H15 | sing | 0.97Å | 0.95Å | |
| C | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 117.3° | 120.0° |
| O | C | H16 | 121.3° | 120.0° |
| OAN | PAL | OAM | 104.1° | 109.5° |
| OAN | PAL | OAO | 115.7° | 109.5° |
| OAN | PAL | OAK | 109.6° | 109.5° |
| C | CA | CAT | 107.5° | 109.4° |
| C | CA | N | 110.1° | 109.5° |
| C | CA | H14 | 108.2° | 109.5° |
| CA | C | H16 | 121.4° | 120.0° |
| OAV | CAT | CA | 120.8° | 120.0° |
| OAV | CAT | OAU | 125.4° | 120.0° |
| OAM | PAL | OAO | 112.8° | 109.5° |
| OAM | PAL | OAK | 106.2° | 109.5° |
| PAL | OAM | H2 | 109.5° | 114.1° |
| OAO | PAL | OAK | 108.0° | 109.5° |
| PAL | OAO | H1 | 109.5° | 114.0° |
| PAL | OAK | CAJ | 116.4° | 123.0° |
| CAT | CA | N | 114.6° | 109.5° |
| CA | CAT | OAU | 113.7° | 120.0° |
| CAT | CA | H14 | 107.8° | 109.5° |
| CA | N | CAB | 125.3° | 120.0° |
| N | CA | H14 | 108.5° | 109.5° |
| CAT | OAU | H15 | 109.5° | 117.0° |
| OAK | CAJ | CAH | 107.8° | 109.5° |
| OAK | CAJ | H3 | 109.9° | 109.5° |
| OAK | CAJ | H4 | 109.9° | 109.5° |
| CAJ | CAH | CAC | 124.9° | 120.4° |
| CAJ | CAH | CAG | 115.5° | 120.5° |
| CAH | CAJ | H3 | 109.9° | 109.5° |
| CAH | CAJ | H4 | 109.9° | 109.5° |
| N | CAB | CAC | 111.9° | 120.0° |
| N | CAB | H10 | 124.0° | 120.0° |
| CAB | CAC | CAH | 125.3° | 121.0° |
| CAB | CAC | CAD | 117.8° | 120.9° |
| CAC | CAB | H10 | 124.0° | 120.0° |
| CAC | CAH | CAG | 119.6° | 119.1° |
| CAH | CAC | CAD | 116.8° | 118.1° |
| CAH | CAG | NAF | 121.2° | 121.1° |
| CAH | CAG | H5 | 119.4° | 119.5° |
| CAC | CAD | OAI | 116.4° | 120.6° |
| CAC | CAD | CAE | 123.7° | 118.8° |
| CAG | NAF | CAE | 121.3° | 122.1° |
| NAF | CAG | H5 | 119.4° | 119.4° |
| OAI | CAD | CAE | 119.8° | 120.6° |
| CAD | OAI | H9 | 109.5° | 113.9° |
| CAD | CAE | NAF | 117.3° | 120.9° |
| CAD | CAE | CAP | 123.6° | 119.5° |
| NAF | CAE | CAP | 119.1° | 119.6° |
| CAE | CAP | H6 | 109.5° | 109.5° |
| CAE | CAP | H7 | 109.5° | 109.5° |
| CAE | CAP | H8 | 109.4° | 109.5° |
| H3 | CAJ | H4 | 109.4° | 109.5° |
| H6 | CAP | H7 | 109.5° | 109.5° |
| H6 | CAP | H8 | 109.5° | 109.4° |
| H7 | CAP | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | H16 | 180.0° | 179.9° |
| O | C | CA | CAT | 80.6° | 120.0° |
| O | C | CA | N | 44.8° | 0.0° |
| O | C | CA | H14 | 163.2° | 120.0° |
| OAN | PAL | OAM | OAO | 126.1° | 120.0° |
| OAN | PAL | OAM | OAK | 115.7° | 120.0° |
| OAN | PAL | OAO | OAK | 123.2° | 120.0° |
| OAN | PAL | OAK | CAJ | 27.4° | 55.0° |
| OAN | PAL | OAO | H1 | 0.0° | 180.0° |
| OAN | PAL | OAM | H2 | 0.0° | 60.0° |
| C | CA | CAT | OAV | 39.1° | 120.0° |
| C | CA | CAT | N | 122.7° | 120.0° |
| C | CA | CAT | H14 | 116.4° | 120.0° |
| C | CA | N | H14 | 118.2° | 120.0° |
| C | CA | CAT | OAU | 143.3° | 60.0° |
| C | CA | N | CAB | 96.3° | 120.0° |
| OAV | CAT | CA | OAU | 177.7° | 180.0° |
| OAV | CAT | CA | N | 161.8° | 0.0° |
| OAV | CAT | CA | H14 | 77.3° | 120.0° |
| OAV | CAT | OAU | H15 | 0.0° | 0.0° |
| OAM | PAL | OAO | OAK | 117.1° | 120.0° |
| OAM | PAL | OAK | CAJ | 84.5° | 175.0° |
| OAM | PAL | OAO | H1 | 119.6° | 60.0° |
| OAO | PAL | OAK | CAJ | 154.3° | 65.0° |
| OAO | PAL | OAM | H2 | 126.2° | 60.0° |
| PAL | OAK | CAJ | CAH | 160.0° | 180.0° |
| OAK | PAL | OAO | H1 | 123.3° | 60.0° |
| OAK | PAL | OAM | H2 | 115.7° | 180.0° |
| PAL | OAK | CAJ | H3 | 40.2° | 60.0° |
| PAL | OAK | CAJ | H4 | 80.3° | 60.0° |
| CAT | CA | N | H14 | 120.5° | 120.0° |
| CAT | CA | N | CAB | 142.4° | 120.0° |
| CA | CAT | OAU | H15 | 177.5° | 180.0° |
| CAT | CA | C | H16 | 99.4° | 60.0° |
| N | CA | CAT | OAU | 20.6° | 180.0° |
| CA | N | CAB | CAC | 179.7° | 179.9° |
| CA | N | CAB | H10 | 0.3° | 0.0° |
| N | CA | C | H16 | 135.2° | 179.9° |
| OAU | CAT | CA | H14 | 100.3° | 60.0° |
| OAK | CAJ | CAH | H3 | 119.8° | 120.0° |
| OAK | CAJ | CAH | H4 | 119.8° | 120.0° |
| OAK | CAJ | CAH | CAC | 78.6° | 180.0° |
| OAK | CAJ | CAH | CAG | 101.4° | 0.3° |
| OAK | CAJ | H3 | H4 | 120.8° | 120.0° |
| CAJ | CAH | CAC | CAB | 3.0° | 0.0° |
| CAJ | CAH | CAC | CAG | 180.0° | 179.7° |
| CAJ | CAH | CAC | CAD | 178.0° | 179.8° |
| CAJ | CAH | CAG | NAF | 179.5° | 179.9° |
| CAH | CAJ | H3 | H4 | 120.8° | 120.0° |
| CAJ | CAH | CAG | H5 | 0.5° | 0.0° |
| N | CAB | CAC | H10 | 180.0° | 180.0° |
| N | CAB | CAC | CAH | 103.6° | 180.0° |
| N | CAB | CAC | CAD | 71.3° | 0.2° |
| CAB | N | CA | H14 | 21.9° | 0.0° |
| CAB | CAC | CAH | CAD | 175.0° | 179.8° |
| CAB | CAC | CAH | CAG | 176.9° | 179.8° |
| CAB | CAC | CAD | OAI | 5.2° | 0.0° |
| CAB | CAC | CAD | CAE | 178.9° | 179.8° |
| CAC | CAH | CAG | NAF | 0.5° | 0.2° |
| CAH | CAC | CAD | OAI | 179.5° | 179.8° |
| CAH | CAC | CAD | CAE | 3.6° | 0.4° |
| CAC | CAH | CAJ | H3 | 41.1° | 60.0° |
| CAC | CAH | CAJ | H4 | 161.6° | 60.0° |
| CAC | CAH | CAG | H5 | 179.6° | 179.7° |
| CAH | CAC | CAB | H10 | 76.4° | 0.1° |
| CAG | CAH | CAC | CAD | 2.0° | 0.5° |
| CAH | CAG | NAF | H5 | 180.0° | 180.0° |
| CAH | CAG | NAF | CAE | 0.3° | 0.1° |
| CAG | CAH | CAJ | H3 | 138.9° | 119.8° |
| CAG | CAH | CAJ | H4 | 18.4° | 120.3° |
| CAC | CAD | OAI | CAE | 176.1° | 179.8° |
| CAC | CAD | CAE | NAF | 3.4° | 0.2° |
| CAC | CAD | CAE | CAP | 178.9° | 179.8° |
| CAC | CAD | OAI | H9 | 180.0° | 89.8° |
| CAD | CAC | CAB | H10 | 108.7° | 179.8° |
| CAG | NAF | CAE | CAD | 1.7° | 0.1° |
| CAG | NAF | CAE | CAP | 179.4° | 180.0° |
| OAI | CAD | CAE | NAF | 179.2° | 180.0° |
| OAI | CAD | CAE | CAP | 3.2° | 0.0° |
| CAD | CAE | NAF | CAP | 177.7° | 180.0° |
| CAD | CAE | CAP | H6 | 177.6° | 90.0° |
| CAD | CAE | CAP | H7 | 62.4° | 30.0° |
| CAD | CAE | CAP | H8 | 57.6° | 150.1° |
| CAE | CAD | OAI | H9 | 3.9° | 90.0° |
| CAE | NAF | CAG | H5 | 179.7° | 180.0° |
| NAF | CAE | CAP | H6 | 0.0° | 90.0° |
| NAF | CAE | CAP | H7 | 120.0° | 150.0° |
| NAF | CAE | CAP | H8 | 120.0° | 30.0° |
| CAE | CAP | H6 | H7 | 120.0° | 120.1° |
| CAE | CAP | H6 | H8 | 120.0° | 120.0° |
| CAE | CAP | H7 | H8 | 120.0° | 120.0° |
| H6 | CAP | H7 | H8 | 120.0° | 119.9° |
| H14 | CA | C | H16 | 16.8° | 59.9° |
