A1A0O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAQ | CAJ | sing | 1.43Å | 1.41Å | |
| OAP | CAK | sing | 1.43Å | 1.43Å | |
| CAJ | CAK | sing | 1.53Å | 1.56Å | |
| CAJ | C | sing | 1.51Å | 1.55Å | |
| CAK | CAL | sing | 1.53Å | 1.56Å | |
| CA | C | sing | 1.51Å | 1.58Å | |
| CA | N | sing | 1.47Å | 1.50Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| OAO | CAL | sing | 1.43Å | 1.44Å | |
| CAA | N | sing | 1.47Å | 1.47Å | |
| CAA | CAB | sing | 1.53Å | 1.54Å | |
| N | CAE | sing | 1.47Å | 1.46Å | |
| CAL | CAM | sing | 1.53Å | 1.50Å | |
| CAB | OAC | sing | 1.43Å | 1.47Å | |
| OAN | CAM | sing | 1.43Å | 1.42Å | |
| CAE | CAD | sing | 1.53Å | 1.54Å | |
| OAC | CAD | sing | 1.43Å | 1.43Å | |
| CA | H2 | sing | 1.09Å | 1.10Å | |
| CA | H3 | sing | 1.09Å | 1.10Å | |
| CAA | H4 | sing | 1.09Å | 1.10Å | |
| CAA | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAB | H7 | sing | 1.09Å | 1.10Å | |
| CAD | H8 | sing | 1.09Å | 1.10Å | |
| CAD | H9 | sing | 1.09Å | 1.10Å | |
| CAE | H10 | sing | 1.09Å | 1.10Å | |
| CAE | H11 | sing | 1.09Å | 1.10Å | |
| CAJ | H12 | sing | 1.09Å | 1.10Å | |
| CAK | H13 | sing | 1.09Å | 1.10Å | |
| CAL | H14 | sing | 1.09Å | 1.10Å | |
| CAM | H15 | sing | 1.09Å | 1.10Å | |
| CAM | H16 | sing | 1.09Å | 1.10Å | |
| OAN | H17 | sing | 0.97Å | 0.95Å | |
| OAO | H18 | sing | 0.97Å | 0.95Å | |
| OAP | H19 | sing | 0.97Å | 0.95Å | |
| OAQ | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAQ | CAJ | CAK | 112.0° | 109.5° |
| OAQ | CAJ | C | 102.1° | 109.5° |
| OAQ | CAJ | H12 | 111.5° | 109.5° |
| CAJ | OAQ | H20 | 109.5° | 114.0° |
| OAP | CAK | CAJ | 110.1° | 109.5° |
| OAP | CAK | CAL | 103.0° | 109.5° |
| OAP | CAK | H13 | 110.3° | 109.5° |
| CAK | OAP | H19 | 109.5° | 114.0° |
| CAK | CAJ | C | 112.5° | 109.5° |
| CAJ | CAK | CAL | 116.3° | 109.5° |
| CAK | CAJ | H12 | 109.3° | 109.5° |
| CAJ | CAK | H13 | 108.5° | 109.4° |
| CAJ | C | CA | 115.6° | 120.1° |
| CAJ | C | O | 118.2° | 119.9° |
| C | CAJ | H12 | 109.3° | 109.4° |
| CAK | CAL | OAO | 108.5° | 109.5° |
| CAK | CAL | CAM | 113.2° | 109.4° |
| CAL | CAK | H13 | 108.5° | 109.5° |
| CAK | CAL | H14 | 107.5° | 109.4° |
| C | CA | N | 119.4° | 109.5° |
| CA | C | O | 126.2° | 120.0° |
| C | CA | H2 | 107.0° | 109.5° |
| C | CA | H3 | 107.0° | 109.5° |
| CA | N | CAA | 109.6° | 111.0° |
| CA | N | CAE | 118.3° | 111.0° |
| N | CA | H2 | 106.9° | 109.5° |
| N | CA | H3 | 106.9° | 109.4° |
| OAO | CAL | CAM | 110.3° | 109.5° |
| OAO | CAL | H14 | 109.0° | 109.5° |
| CAL | OAO | H18 | 109.5° | 114.0° |
| N | CAA | CAB | 113.8° | 109.3° |
| CAA | N | CAE | 116.5° | 110.7° |
| N | CAA | H4 | 108.4° | 109.5° |
| N | CAA | H5 | 108.4° | 109.5° |
| CAA | CAB | OAC | 110.3° | 109.3° |
| CAB | CAA | H4 | 108.4° | 109.5° |
| CAB | CAA | H5 | 108.4° | 109.5° |
| CAA | CAB | H6 | 109.3° | 109.5° |
| CAA | CAB | H7 | 109.3° | 109.5° |
| N | CAE | CAD | 114.5° | 109.2° |
| N | CAE | H10 | 108.2° | 109.5° |
| N | CAE | H11 | 108.2° | 109.5° |
| CAL | CAM | OAN | 105.8° | 109.5° |
| CAM | CAL | H14 | 108.2° | 109.5° |
| CAL | CAM | H15 | 110.4° | 109.5° |
| CAL | CAM | H16 | 110.4° | 109.5° |
| CAB | OAC | CAD | 115.7° | 113.7° |
| OAC | CAB | H6 | 109.3° | 109.5° |
| OAC | CAB | H7 | 109.2° | 109.5° |
| OAN | CAM | H15 | 110.4° | 109.4° |
| OAN | CAM | H16 | 110.4° | 109.5° |
| CAM | OAN | H17 | 109.5° | 114.0° |
| CAE | CAD | OAC | 112.6° | 109.2° |
| CAE | CAD | H8 | 108.7° | 109.5° |
| CAE | CAD | H9 | 108.7° | 109.5° |
| CAD | CAE | H10 | 108.2° | 109.6° |
| CAD | CAE | H11 | 108.2° | 109.5° |
| OAC | CAD | H8 | 108.7° | 109.5° |
| OAC | CAD | H9 | 108.7° | 109.6° |
| H2 | CA | H3 | 109.5° | 109.4° |
| H4 | CAA | H5 | 109.5° | 109.5° |
| H6 | CAB | H7 | 109.5° | 109.5° |
| H8 | CAD | H9 | 109.5° | 109.5° |
| H10 | CAE | H11 | 109.5° | 109.5° |
| H15 | CAM | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAQ | CAJ | CAK | OAP | 57.0° | 65.0° |
| OAQ | CAJ | CAK | C | 114.3° | 120.0° |
| OAQ | CAJ | CAK | H12 | 124.0° | 120.0° |
| OAQ | CAJ | C | H12 | 118.1° | 120.0° |
| OAQ | CAJ | CAK | CAL | 173.5° | 55.0° |
| OAQ | CAJ | C | CA | 89.0° | 165.0° |
| OAQ | CAJ | C | O | 93.4° | 15.0° |
| OAQ | CAJ | CAK | H13 | 63.8° | 175.0° |
| OAP | CAK | CAJ | CAL | 116.6° | 120.0° |
| OAP | CAK | CAJ | H13 | 120.8° | 120.0° |
| OAP | CAK | CAJ | C | 171.3° | 55.0° |
| OAP | CAK | CAL | H13 | 116.9° | 120.0° |
| OAP | CAK | CAL | OAO | 64.9° | 180.0° |
| OAP | CAK | CAL | CAM | 172.3° | 60.0° |
| OAP | CAK | CAJ | H12 | 67.1° | 175.0° |
| OAP | CAK | CAL | H14 | 52.9° | 60.0° |
| CAK | CAJ | C | H12 | 121.6° | 120.0° |
| CAJ | CAK | CAL | H13 | 122.6° | 120.0° |
| CAK | CAJ | C | CA | 150.8° | 74.9° |
| CAK | CAJ | C | O | 26.8° | 105.0° |
| CAJ | CAK | CAL | OAO | 55.6° | 60.0° |
| CAJ | CAK | CAL | CAM | 67.2° | 180.0° |
| CAJ | CAK | CAL | H14 | 173.3° | 60.0° |
| CAJ | CAK | OAP | H19 | 180.0° | 60.0° |
| CAK | CAJ | OAQ | H20 | 180.0° | 60.0° |
| C | CAJ | CAK | CAL | 72.1° | 175.1° |
| CAJ | C | CA | O | 177.4° | 180.0° |
| CAJ | C | CA | N | 176.7° | 180.0° |
| CAJ | C | CA | H2 | 55.3° | 59.9° |
| CAJ | C | CA | H3 | 61.9° | 60.1° |
| C | CAJ | CAK | H13 | 50.5° | 64.9° |
| C | CAJ | OAQ | H20 | 59.4° | 60.0° |
| CAK | CAL | OAO | CAM | 124.6° | 120.0° |
| CAK | CAL | OAO | H14 | 116.8° | 120.0° |
| CAK | CAL | CAM | H14 | 119.1° | 119.9° |
| CAK | CAL | CAM | OAN | 71.8° | 175.0° |
| CAL | CAK | CAJ | H12 | 49.5° | 65.0° |
| CAK | CAL | CAM | H15 | 168.8° | 55.0° |
| CAK | CAL | CAM | H16 | 47.6° | 65.0° |
| CAK | CAL | OAO | H18 | 180.0° | 60.0° |
| CAL | CAK | OAP | H19 | 55.4° | 60.0° |
| C | CA | N | H2 | 121.4° | 120.1° |
| C | CA | N | H3 | 121.4° | 120.0° |
| C | CA | N | CAA | 179.5° | 66.3° |
| C | CA | N | CAE | 42.7° | 170.0° |
| C | CA | H2 | H3 | 115.5° | 120.0° |
| CA | C | CAJ | H12 | 29.2° | 45.0° |
| N | CA | C | O | 5.9° | 0.0° |
| CA | N | CAA | CAE | 137.7° | 123.8° |
| CA | N | CAA | CAB | 162.1° | 177.6° |
| CA | N | CAE | CAD | 178.4° | 177.6° |
| N | CA | H2 | H3 | 115.5° | 119.9° |
| CA | N | CAA | H4 | 77.3° | 57.7° |
| CA | N | CAA | H5 | 41.5° | 62.4° |
| CA | N | CAE | H10 | 60.9° | 62.4° |
| CA | N | CAE | H11 | 57.6° | 57.7° |
| O | C | CA | H2 | 127.2° | 120.0° |
| O | C | CA | H3 | 115.5° | 120.0° |
| O | C | CAJ | H12 | 148.5° | 135.0° |
| OAO | CAL | CAM | H14 | 119.1° | 120.1° |
| OAO | CAL | CAM | OAN | 50.1° | 65.1° |
| OAO | CAL | CAK | H13 | 178.2° | 60.0° |
| OAO | CAL | CAM | H15 | 69.3° | 175.0° |
| OAO | CAL | CAM | H16 | 169.5° | 55.0° |
| N | CAA | CAB | H4 | 120.6° | 119.9° |
| N | CAA | CAB | H5 | 120.6° | 120.0° |
| N | CAA | CAB | OAC | 27.2° | 56.9° |
| CAA | N | CAE | CAD | 47.7° | 58.6° |
| CAA | N | CA | H2 | 59.1° | 173.6° |
| CAA | N | CA | H3 | 58.1° | 53.6° |
| N | CAA | H4 | H5 | 118.0° | 120.1° |
| N | CAA | CAB | H6 | 147.3° | 63.0° |
| N | CAA | CAB | H7 | 92.9° | 176.8° |
| CAA | N | CAE | H10 | 73.1° | 61.3° |
| CAA | N | CAE | H11 | 168.4° | 178.6° |
| CAB | CAA | N | CAE | 24.4° | 58.6° |
| CAA | CAB | OAC | H6 | 120.1° | 119.9° |
| CAA | CAB | OAC | H7 | 120.1° | 120.0° |
| CAA | CAB | OAC | CAD | 61.0° | 58.7° |
| CAB | CAA | H4 | H5 | 118.1° | 120.1° |
| CAA | CAB | H6 | H7 | 119.6° | 120.1° |
| N | CAE | CAD | H10 | 120.7° | 120.0° |
| N | CAE | CAD | H11 | 120.7° | 119.9° |
| N | CAE | CAD | OAC | 15.8° | 56.9° |
| CAE | N | CA | H2 | 164.1° | 50.0° |
| CAE | N | CA | H3 | 78.7° | 70.0° |
| CAE | N | CAA | H4 | 145.1° | 178.5° |
| CAE | N | CAA | H5 | 96.2° | 61.3° |
| N | CAE | CAD | H8 | 136.3° | 176.8° |
| N | CAE | CAD | H9 | 104.6° | 63.1° |
| N | CAE | H10 | H11 | 117.7° | 120.1° |
| CAL | CAM | OAN | H15 | 119.4° | 120.0° |
| CAL | CAM | OAN | H16 | 119.4° | 120.1° |
| CAM | CAL | CAK | H13 | 55.5° | 60.0° |
| CAL | CAM | H15 | H16 | 121.7° | 120.1° |
| CAL | CAM | OAN | H17 | 87.6° | 180.0° |
| CAM | CAL | OAO | H18 | 55.4° | 60.0° |
| CAB | OAC | CAD | CAE | 38.2° | 58.7° |
| OAC | CAB | CAA | H4 | 93.4° | 176.8° |
| OAC | CAB | CAA | H5 | 147.8° | 63.1° |
| OAC | CAB | H6 | H7 | 119.6° | 120.1° |
| CAB | OAC | CAD | H8 | 82.3° | 178.6° |
| CAB | OAC | CAD | H9 | 158.7° | 61.3° |
| OAN | CAM | CAL | H14 | 169.1° | 55.0° |
| OAN | CAM | H15 | H16 | 121.7° | 119.9° |
| CAE | CAD | OAC | H8 | 120.5° | 119.9° |
| CAE | CAD | OAC | H9 | 120.5° | 120.0° |
| CAE | CAD | H8 | H9 | 118.6° | 120.1° |
| CAD | CAE | H10 | H11 | 117.7° | 120.1° |
| CAD | OAC | CAB | H6 | 178.9° | 61.2° |
| CAD | OAC | CAB | H7 | 59.2° | 178.6° |
| OAC | CAD | H8 | H9 | 118.6° | 120.2° |
| OAC | CAD | CAE | H10 | 104.9° | 63.1° |
| OAC | CAD | CAE | H11 | 136.5° | 176.8° |
| H4 | CAA | CAB | H6 | 26.7° | 56.9° |
| H4 | CAA | CAB | H7 | 146.5° | 63.2° |
| H5 | CAA | CAB | H6 | 92.1° | 177.0° |
| H5 | CAA | CAB | H7 | 27.7° | 56.8° |
| H8 | CAD | CAE | H10 | 15.6° | 56.8° |
| H8 | CAD | CAE | H11 | 103.0° | 63.3° |
| H9 | CAD | CAE | H10 | 134.6° | 176.9° |
| H9 | CAD | CAE | H11 | 16.1° | 56.8° |
| H12 | CAJ | CAK | H13 | 172.2° | 55.0° |
| H12 | CAJ | OAQ | H20 | 57.2° | 180.0° |
| H13 | CAK | CAL | H14 | 64.0° | 180.0° |
| H13 | CAK | OAP | H19 | 60.3° | 180.0° |
| H14 | CAL | CAM | H15 | 49.7° | 64.9° |
| H14 | CAL | CAM | H16 | 71.4° | 175.0° |
| H14 | CAL | OAO | H18 | 63.2° | 180.0° |
| H15 | CAM | OAN | H17 | 153.0° | 60.0° |
| H16 | CAM | OAN | H17 | 31.8° | 59.9° |
