A1IQ1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAP | CAO | doub | 1.22Å | 1.23Å | |
| CAN | CAM | sing | 1.51Å | 1.54Å | |
| CAO | CAM | sing | 1.42Å | 1.56Å | |
| CAO | OAQ | sing | 1.35Å | 1.39Å | |
| CAM | CAL | doub | 1.35Å | 1.57Å | |
| OAQ | CAJ | sing | 1.43Å | 1.47Å | |
| CAL | CAE | sing | 1.47Å | 1.41Å | |
| CAC | CAE | doub | 1.40Å | 1.42Å | Aromatic |
| CAC | CAD | sing | 1.38Å | 1.40Å | Aromatic |
| CAE | CAF | sing | 1.40Å | 1.40Å | Aromatic |
| CAD | CAB | doub | 1.39Å | 1.40Å | Aromatic |
| CAF | CAA | doub | 1.38Å | 1.41Å | Aromatic |
| CAB | CAA | sing | 1.39Å | 1.41Å | Aromatic |
| CAB | NAG | sing | 1.39Å | 1.33Å | |
| NAG | H1 | sing | 0.97Å | 1.00Å | |
| CAD | H3 | sing | 1.08Å | 1.08Å | |
| CAC | H4 | sing | 1.08Å | 1.08Å | |
| CAA | H5 | sing | 1.08Å | 1.08Å | |
| CAF | H6 | sing | 1.08Å | 1.08Å | |
| CAL | H7 | sing | 1.08Å | 1.08Å | |
| CAN | H8 | sing | 1.09Å | 1.10Å | |
| CAN | H9 | sing | 1.09Å | 1.10Å | |
| CAN | H10 | sing | 1.09Å | 1.10Å | |
| CAJ | H11 | sing | 1.09Å | 1.10Å | |
| CAJ | H12 | sing | 1.09Å | 1.10Å | |
| CAJ | H13 | sing | 1.09Å | 1.10Å | |
| NAG | C1 | sing | 1.35Å | 43.49Å | |
| C1 | O1 | doub | 1.21Å | 0.00Å | |
| C1 | C3 | sing | 1.51Å | 0.00Å | |
| C3 | H2 | sing | 1.09Å | 0.00Å | |
| C3 | H14 | sing | 1.09Å | 0.00Å | |
| C3 | H15 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAP | CAO | CAM | 116.7° | 120.0° |
| OAP | CAO | OAQ | 123.7° | 119.9° |
| CAN | CAM | CAO | 115.1° | 120.0° |
| CAN | CAM | CAL | 117.3° | 120.0° |
| CAM | CAN | H8 | 109.5° | 109.5° |
| CAM | CAN | H9 | 109.4° | 109.5° |
| CAM | CAN | H10 | 109.4° | 109.5° |
| CAM | CAO | OAQ | 119.6° | 120.1° |
| CAO | CAM | CAL | 127.6° | 120.0° |
| CAO | OAQ | CAJ | 119.1° | 117.0° |
| CAM | CAL | CAE | 123.9° | 120.0° |
| CAM | CAL | H7 | 118.0° | 120.0° |
| OAQ | CAJ | H11 | 109.5° | 109.5° |
| OAQ | CAJ | H12 | 109.5° | 109.5° |
| OAQ | CAJ | H13 | 109.4° | 109.4° |
| CAL | CAE | CAC | 121.5° | 120.1° |
| CAL | CAE | CAF | 119.9° | 120.1° |
| CAE | CAL | H7 | 118.0° | 120.0° |
| CAE | CAC | CAD | 121.9° | 119.9° |
| CAC | CAE | CAF | 118.5° | 119.8° |
| CAE | CAC | H4 | 119.1° | 120.0° |
| CAC | CAD | CAB | 118.5° | 120.1° |
| CAC | CAD | H3 | 120.7° | 120.0° |
| CAD | CAC | H4 | 119.0° | 120.0° |
| CAE | CAF | CAA | 120.0° | 119.9° |
| CAE | CAF | H6 | 120.0° | 120.0° |
| CAD | CAB | CAA | 120.6° | 120.1° |
| CAD | CAB | NAG | 118.9° | 119.9° |
| CAB | CAD | H3 | 120.7° | 119.9° |
| CAF | CAA | CAB | 120.4° | 120.2° |
| CAF | CAA | H5 | 119.8° | 120.0° |
| CAA | CAF | H6 | 120.0° | 120.1° |
| CAA | CAB | NAG | 120.5° | 120.0° |
| CAB | CAA | H5 | 119.8° | 119.9° |
| CAB | NAG | H1 | 149.8° | 120.0° |
| CAB | NAG | C1 | 60.4° | 120.1° |
| H1 | NAG | C1 | 149.8° | 119.9° |
| H8 | CAN | H9 | 109.5° | 109.5° |
| H8 | CAN | H10 | 109.4° | 109.5° |
| H9 | CAN | H10 | 109.5° | 109.5° |
| H11 | CAJ | H12 | 109.5° | 109.5° |
| H11 | CAJ | H13 | 109.5° | 109.5° |
| H12 | CAJ | H13 | 109.5° | 109.4° |
| NAG | C1 | O1 | 90.0° | 120.0° |
| NAG | C1 | C3 | 90.0° | 120.0° |
| O1 | C1 | C3 | 90.0° | 120.0° |
| C1 | C3 | H2 | 90.0° | 109.5° |
| C1 | C3 | H14 | 90.0° | 109.5° |
| C1 | C3 | H15 | 90.0° | 109.5° |
| H2 | C3 | H14 | 90.0° | 109.5° |
| H2 | C3 | H15 | 90.0° | 109.5° |
| H14 | C3 | H15 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAP | CAO | CAM | CAN | 0.9° | 172.5° |
| OAP | CAO | CAM | OAQ | 179.1° | 180.0° |
| OAP | CAO | CAM | CAL | 180.0° | 7.4° |
| OAP | CAO | OAQ | CAJ | 38.0° | 0.0° |
| CAN | CAM | CAO | CAL | 179.1° | 180.0° |
| CAN | CAM | CAO | OAQ | 180.0° | 7.5° |
| CAN | CAM | CAL | CAE | 178.9° | 165.6° |
| CAN | CAM | CAL | H7 | 1.1° | 14.3° |
| CAM | CAN | H8 | H9 | 120.0° | 120.0° |
| CAM | CAN | H8 | H10 | 120.0° | 120.0° |
| CAM | CAN | H9 | H10 | 120.0° | 120.0° |
| CAM | CAO | OAQ | CAJ | 141.1° | 180.0° |
| CAO | CAM | CAL | CAE | 0.2° | 14.4° |
| CAO | CAM | CAL | H7 | 179.8° | 165.6° |
| CAO | CAM | CAN | H8 | 180.0° | 90.0° |
| CAO | CAM | CAN | H9 | 60.0° | 30.0° |
| CAO | CAM | CAN | H10 | 60.0° | 150.0° |
| OAQ | CAO | CAM | CAL | 0.8° | 172.6° |
| CAO | OAQ | CAJ | H11 | 180.0° | 60.1° |
| CAO | OAQ | CAJ | H12 | 60.0° | 60.0° |
| CAO | OAQ | CAJ | H13 | 60.0° | 180.0° |
| CAM | CAL | CAE | H7 | 180.0° | 180.0° |
| CAM | CAL | CAE | CAC | 56.7° | 137.7° |
| CAM | CAL | CAE | CAF | 126.3° | 42.6° |
| CAL | CAM | CAN | H8 | 0.8° | 90.0° |
| CAL | CAM | CAN | H9 | 119.2° | 150.0° |
| CAL | CAM | CAN | H10 | 120.8° | 30.0° |
| OAQ | CAJ | H11 | H12 | 120.0° | 120.1° |
| OAQ | CAJ | H11 | H13 | 120.0° | 119.9° |
| OAQ | CAJ | H12 | H13 | 120.0° | 120.0° |
| CAL | CAE | CAC | CAF | 177.0° | 179.7° |
| CAL | CAE | CAC | CAD | 179.5° | 180.0° |
| CAL | CAE | CAF | CAA | 179.0° | 179.7° |
| CAL | CAE | CAC | H4 | 0.5° | 0.0° |
| CAL | CAE | CAF | H6 | 0.9° | 0.3° |
| CAE | CAC | CAD | H4 | 180.0° | 179.9° |
| CAE | CAC | CAD | CAB | 1.6° | 0.1° |
| CAC | CAE | CAF | CAA | 2.0° | 0.5° |
| CAE | CAC | CAD | H3 | 178.4° | 180.0° |
| CAC | CAE | CAF | H6 | 178.0° | 180.0° |
| CAC | CAE | CAL | H7 | 123.3° | 42.3° |
| CAD | CAC | CAE | CAF | 2.5° | 0.2° |
| CAC | CAD | CAB | H3 | 180.0° | 179.9° |
| CAC | CAD | CAB | CAA | 0.2° | 0.1° |
| CAC | CAD | CAB | NAG | 179.8° | 179.7° |
| CAE | CAF | CAA | H6 | 180.0° | 179.4° |
| CAE | CAF | CAA | CAB | 0.6° | 0.5° |
| CAF | CAE | CAC | H4 | 177.5° | 179.7° |
| CAE | CAF | CAA | H5 | 179.4° | 179.5° |
| CAF | CAE | CAL | H7 | 53.7° | 137.4° |
| CAD | CAB | CAA | CAF | 0.3° | 0.2° |
| CAD | CAB | CAA | NAG | 180.0° | 179.8° |
| CAD | CAB | NAG | H1 | 23.9° | 144.1° |
| CAB | CAD | CAC | H4 | 178.4° | 180.0° |
| CAD | CAB | CAA | H5 | 179.6° | 179.8° |
| CAD | CAB | NAG | C1 | 156.1° | 35.7° |
| CAF | CAA | CAB | H5 | 180.0° | 180.0° |
| CAF | CAA | CAB | NAG | 179.6° | 180.0° |
| CAA | CAB | NAG | H1 | 156.1° | 35.7° |
| CAA | CAB | CAD | H3 | 179.8° | 180.0° |
| CAB | CAA | CAF | H6 | 179.4° | 179.9° |
| CAA | CAB | NAG | C1 | 23.9° | 144.5° |
| CAB | NAG | H1 | C1 | 180.0° | 179.8° |
| NAG | CAB | CAD | H3 | 0.1° | 0.2° |
| NAG | CAB | CAA | H5 | 0.4° | 0.0° |
| CAB | NAG | C1 | O1 | 90.0° | 4.5° |
| CAB | NAG | C1 | C3 | 90.0° | 175.5° |
| H1 | NAG | C1 | O1 | 90.0° | 175.3° |
| H1 | NAG | C1 | C3 | 90.0° | 4.7° |
| H3 | CAD | CAC | H4 | 1.6° | 0.1° |
| H5 | CAA | CAF | H6 | 0.6° | 0.0° |
| H8 | CAN | H9 | H10 | 120.0° | 120.0° |
| H11 | CAJ | H12 | H13 | 120.0° | 120.0° |
| NAG | C1 | O1 | C3 | 90.0° | 180.0° |
| NAG | C1 | C3 | H2 | 90.0° | 0.0° |
| NAG | C1 | C3 | H14 | 90.0° | 120.0° |
| NAG | C1 | C3 | H15 | 90.0° | 120.0° |
| O1 | C1 | C3 | H2 | 90.0° | 180.0° |
| O1 | C1 | C3 | H14 | 90.0° | 60.0° |
| O1 | C1 | C3 | H15 | 90.0° | 60.0° |
| C1 | C3 | H2 | H14 | 90.0° | 120.0° |
| C1 | C3 | H2 | H15 | 90.0° | 120.1° |
| C1 | C3 | H14 | H15 | 90.0° | 120.0° |
| H2 | C3 | H14 | H15 | 90.0° | 119.9° |
