A1IQZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | CAH | sing | 1.51Å | 1.53Å | |
| OAK | CAJ | doub | 1.22Å | 1.25Å | |
| CAH | CAJ | sing | 1.46Å | 1.51Å | |
| CAH | CAG | doub | 1.35Å | 1.60Å | |
| CAJ | OAL | sing | 1.35Å | 1.37Å | |
| CAG | CAD | sing | 1.47Å | 1.40Å | |
| OAL | CAM | sing | 1.43Å | 1.42Å | |
| CAE | CAD | doub | 1.40Å | 1.38Å | Aromatic |
| CAE | CAF | sing | 1.37Å | 1.38Å | Aromatic |
| CAD | CAC | sing | 1.40Å | 1.43Å | Aromatic |
| CAF | CAB | doub | 1.40Å | 1.42Å | Aromatic |
| CAC | CAA | doub | 1.37Å | 1.39Å | Aromatic |
| CAB | CAA | sing | 1.40Å | 1.39Å | Aromatic |
| CAB | CAN | sing | 1.43Å | 1.39Å | |
| CAN | CAO | trip | 1.17Å | 1.15Å | |
| CAM | H1 | sing | 1.09Å | 1.10Å | |
| CAM | H2 | sing | 1.09Å | 1.10Å | |
| CAM | H3 | sing | 1.09Å | 1.10Å | |
| CAI | H4 | sing | 1.09Å | 1.10Å | |
| CAI | H5 | sing | 1.09Å | 1.10Å | |
| CAI | H6 | sing | 1.09Å | 1.10Å | |
| CAG | H7 | sing | 1.08Å | 1.08Å | |
| CAC | H8 | sing | 1.08Å | 1.08Å | |
| CAA | H9 | sing | 1.08Å | 1.08Å | |
| CAO | H10 | sing | 1.05Å | 1.06Å | |
| CAF | H11 | sing | 1.08Å | 1.08Å | |
| CAE | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAI | CAH | CAJ | 115.1° | 120.0° |
| CAI | CAH | CAG | 121.6° | 120.0° |
| CAH | CAI | H4 | 109.5° | 109.5° |
| CAH | CAI | H5 | 109.5° | 109.5° |
| CAH | CAI | H6 | 109.5° | 109.5° |
| OAK | CAJ | CAH | 119.0° | 120.0° |
| OAK | CAJ | OAL | 125.6° | 120.0° |
| CAJ | CAH | CAG | 123.1° | 120.0° |
| CAH | CAJ | OAL | 115.4° | 120.0° |
| CAH | CAG | CAD | 120.8° | 120.0° |
| CAH | CAG | H7 | 119.6° | 120.0° |
| CAJ | OAL | CAM | 114.3° | 117.0° |
| CAG | CAD | CAE | 112.3° | 120.1° |
| CAG | CAD | CAC | 126.9° | 120.0° |
| CAD | CAG | H7 | 119.6° | 120.0° |
| OAL | CAM | H1 | 109.5° | 109.5° |
| OAL | CAM | H2 | 109.5° | 109.5° |
| OAL | CAM | H3 | 109.5° | 109.5° |
| CAD | CAE | CAF | 120.0° | 120.0° |
| CAE | CAD | CAC | 120.8° | 119.9° |
| CAD | CAE | H12 | 120.0° | 120.0° |
| CAE | CAF | CAB | 119.3° | 120.0° |
| CAE | CAF | H11 | 120.4° | 120.0° |
| CAF | CAE | H12 | 120.0° | 120.1° |
| CAD | CAC | CAA | 119.2° | 119.9° |
| CAD | CAC | H8 | 120.4° | 120.1° |
| CAF | CAB | CAA | 121.6° | 120.1° |
| CAF | CAB | CAN | 117.0° | 120.0° |
| CAB | CAF | H11 | 120.3° | 120.0° |
| CAC | CAA | CAB | 119.0° | 120.0° |
| CAA | CAC | H8 | 120.4° | 120.0° |
| CAC | CAA | H9 | 120.5° | 120.0° |
| CAA | CAB | CAN | 121.3° | 119.9° |
| CAB | CAA | H9 | 120.5° | 120.0° |
| CAB | CAN | CAO | 173.8° | 180.0° |
| CAN | CAO | H10 | 180.0° | 180.0° |
| H1 | CAM | H2 | 109.5° | 109.5° |
| H1 | CAM | H3 | 109.4° | 109.4° |
| H2 | CAM | H3 | 109.5° | 109.4° |
| H4 | CAI | H5 | 109.4° | 109.4° |
| H4 | CAI | H6 | 109.5° | 109.4° |
| H5 | CAI | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAI | CAH | CAJ | OAK | 2.7° | 172.9° |
| CAI | CAH | CAJ | CAG | 174.7° | 180.0° |
| CAI | CAH | CAJ | OAL | 176.5° | 7.1° |
| CAI | CAH | CAG | CAD | 175.8° | 169.0° |
| CAH | CAI | H4 | H5 | 120.0° | 120.0° |
| CAH | CAI | H4 | H6 | 120.0° | 120.0° |
| CAH | CAI | H5 | H6 | 120.0° | 120.0° |
| CAI | CAH | CAG | H7 | 4.2° | 11.0° |
| OAK | CAJ | CAH | OAL | 179.2° | 180.0° |
| OAK | CAJ | CAH | CAG | 177.3° | 7.1° |
| OAK | CAJ | OAL | CAM | 23.9° | 0.0° |
| CAJ | CAH | CAG | CAD | 9.8° | 11.0° |
| CAH | CAJ | OAL | CAM | 155.3° | 180.0° |
| CAJ | CAH | CAI | H4 | 180.0° | 90.0° |
| CAJ | CAH | CAI | H5 | 60.0° | 150.0° |
| CAJ | CAH | CAI | H6 | 60.0° | 30.0° |
| CAJ | CAH | CAG | H7 | 170.2° | 169.1° |
| CAG | CAH | CAJ | OAL | 1.9° | 172.9° |
| CAH | CAG | CAD | H7 | 180.0° | 180.0° |
| CAH | CAG | CAD | CAE | 27.7° | 44.5° |
| CAH | CAG | CAD | CAC | 154.7° | 135.7° |
| CAG | CAH | CAI | H4 | 5.2° | 90.0° |
| CAG | CAH | CAI | H5 | 125.2° | 30.0° |
| CAG | CAH | CAI | H6 | 114.8° | 150.0° |
| CAJ | OAL | CAM | H1 | 180.0° | 60.0° |
| CAJ | OAL | CAM | H2 | 60.0° | 60.0° |
| CAJ | OAL | CAM | H3 | 60.0° | 180.0° |
| CAG | CAD | CAE | CAC | 177.8° | 179.8° |
| CAG | CAD | CAE | CAF | 179.5° | 179.7° |
| CAG | CAD | CAC | CAA | 179.8° | 180.0° |
| CAG | CAD | CAC | H8 | 0.2° | 0.1° |
| CAG | CAD | CAE | H12 | 0.5° | 0.0° |
| OAL | CAM | H1 | H2 | 120.0° | 120.0° |
| OAL | CAM | H1 | H3 | 120.0° | 120.0° |
| OAL | CAM | H2 | H3 | 120.0° | 120.0° |
| CAD | CAE | CAF | H12 | 180.0° | 179.8° |
| CAD | CAE | CAF | CAB | 1.6° | 0.5° |
| CAE | CAD | CAC | CAA | 2.8° | 0.2° |
| CAE | CAD | CAG | H7 | 152.3° | 135.4° |
| CAE | CAD | CAC | H8 | 177.2° | 179.7° |
| CAD | CAE | CAF | H11 | 178.4° | 179.7° |
| CAF | CAE | CAD | CAC | 2.7° | 0.5° |
| CAE | CAF | CAB | H11 | 180.0° | 179.8° |
| CAE | CAF | CAB | CAA | 0.7° | 0.2° |
| CAE | CAF | CAB | CAN | 179.4° | 179.7° |
| CAD | CAC | CAA | H8 | 180.0° | 179.9° |
| CAD | CAC | CAA | CAB | 1.8° | 0.1° |
| CAC | CAD | CAG | H7 | 25.3° | 44.3° |
| CAD | CAC | CAA | H9 | 178.2° | 180.0° |
| CAC | CAD | CAE | H12 | 177.3° | 179.8° |
| CAF | CAB | CAA | CAC | 0.8° | 0.1° |
| CAF | CAB | CAA | CAN | 179.9° | 180.0° |
| CAF | CAB | CAN | CAO | 1.2° | 11.6° |
| CAF | CAB | CAA | H9 | 179.2° | 180.0° |
| CAB | CAF | CAE | H12 | 178.4° | 179.7° |
| CAC | CAA | CAB | H9 | 180.0° | 179.9° |
| CAC | CAA | CAB | CAN | 179.3° | 180.0° |
| CAA | CAB | CAN | CAO | 178.7° | 168.4° |
| CAB | CAA | CAC | H8 | 178.2° | 180.0° |
| CAA | CAB | CAF | H11 | 179.3° | 179.9° |
| CAN | CAB | CAA | H9 | 0.7° | 0.0° |
| CAB | CAN | CAO | H10 | 123.0° | 122.0° |
| CAN | CAB | CAF | H11 | 0.6° | 0.1° |
| H1 | CAM | H2 | H3 | 120.0° | 120.0° |
| H4 | CAI | H5 | H6 | 120.0° | 120.0° |
| H8 | CAC | CAA | H9 | 1.8° | 0.1° |
| H11 | CAF | CAE | H12 | 1.6° | 0.1° |
