A1IMC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAI | CAD | sing | 1.36Å | 1.35Å | |
| CAE | CAD | doub | 1.39Å | 1.40Å | Aromatic |
| CAE | CAF | sing | 1.38Å | 1.38Å | Aromatic |
| CAD | CAC | sing | 1.39Å | 1.40Å | Aromatic |
| CAF | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| OAU | SAB | doub | 1.42Å | 1.51Å | |
| NAT | SAB | sing | 1.66Å | 1.66Å | |
| NAT | CAQ | sing | 1.38Å | 1.33Å | |
| CAC | SAB | sing | 1.76Å | 1.79Å | |
| CAC | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| NAP | CAQ | doub | 1.29Å | 1.35Å | Aromatic |
| NAP | CAO | sing | 1.35Å | 1.35Å | Aromatic |
| SAB | OAA | doub | 1.42Å | 1.52Å | |
| CAG | CAH | sing | 1.38Å | 1.38Å | Aromatic |
| CAQ | SAR | sing | 1.76Å | 1.70Å | Aromatic |
| CAN | CAO | sing | 1.41Å | 1.40Å | Aromatic |
| CAN | CAM | doub | 1.37Å | 1.39Å | Aromatic |
| CAO | CAS | doub | 1.40Å | 1.40Å | Aromatic |
| CAM | CAL | sing | 1.39Å | 1.39Å | Aromatic |
| SAR | CAS | sing | 1.76Å | 1.71Å | Aromatic |
| CAS | CAK | sing | 1.39Å | 1.38Å | Aromatic |
| CAL | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CLAJ | sing | 1.74Å | 1.73Å | |
| CAN | H1 | sing | 1.08Å | 1.08Å | |
| CAM | H2 | sing | 1.08Å | 1.08Å | |
| CAL | H3 | sing | 1.08Å | 1.08Å | |
| NAT | H4 | sing | 0.97Å | 1.00Å | |
| CAH | H5 | sing | 1.08Å | 1.08Å | |
| CAG | H6 | sing | 1.08Å | 1.08Å | |
| CAF | H7 | sing | 1.08Å | 1.08Å | |
| CAE | H8 | sing | 1.08Å | 1.08Å | |
| OAI | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAI | CAD | CAE | 120.1° | 120.1° |
| OAI | CAD | CAC | 118.4° | 120.1° |
| CAD | OAI | H9 | 109.5° | 114.0° |
| CAD | CAE | CAF | 119.4° | 120.0° |
| CAE | CAD | CAC | 121.5° | 119.9° |
| CAD | CAE | H8 | 120.3° | 120.0° |
| CAE | CAF | CAG | 119.3° | 120.0° |
| CAE | CAF | H7 | 120.4° | 120.0° |
| CAF | CAE | H8 | 120.3° | 120.0° |
| CAD | CAC | SAB | 122.1° | 120.0° |
| CAD | CAC | CAH | 118.4° | 120.0° |
| CAF | CAG | CAH | 121.2° | 120.1° |
| CAF | CAG | H6 | 119.4° | 119.9° |
| CAG | CAF | H7 | 120.3° | 120.0° |
| OAU | SAB | NAT | 108.8° | 106.4° |
| OAU | SAB | CAC | 105.1° | 106.4° |
| OAU | SAB | OAA | 111.7° | 123.1° |
| SAB | NAT | CAQ | 126.2° | 120.0° |
| NAT | SAB | CAC | 108.2° | 107.2° |
| NAT | SAB | OAA | 112.8° | 106.4° |
| SAB | NAT | H4 | 105.1° | 120.0° |
| NAT | CAQ | NAP | 125.1° | 124.8° |
| NAT | CAQ | SAR | 126.0° | 124.8° |
| CAQ | NAT | H4 | 105.1° | 120.0° |
| SAB | CAC | CAH | 119.4° | 120.0° |
| CAC | SAB | OAA | 109.9° | 106.4° |
| CAC | CAH | CAG | 120.1° | 120.1° |
| CAC | CAH | H5 | 120.0° | 120.0° |
| CAQ | NAP | CAO | 116.4° | 117.9° |
| NAP | CAQ | SAR | 108.9° | 110.4° |
| NAP | CAO | CAN | 128.7° | 128.7° |
| NAP | CAO | CAS | 112.7° | 112.9° |
| CAG | CAH | H5 | 120.0° | 120.0° |
| CAH | CAG | H6 | 119.4° | 120.0° |
| CAQ | SAR | CAS | 93.7° | 90.4° |
| CAO | CAN | CAM | 120.5° | 120.5° |
| CAN | CAO | CAS | 118.7° | 118.4° |
| CAO | CAN | H1 | 119.8° | 119.7° |
| CAN | CAM | CAL | 120.3° | 120.6° |
| CAM | CAN | H1 | 119.8° | 119.8° |
| CAN | CAM | H2 | 119.8° | 119.7° |
| CAO | CAS | SAR | 108.4° | 108.4° |
| CAO | CAS | CAK | 121.0° | 120.4° |
| CAM | CAL | CAK | 119.8° | 119.9° |
| CAL | CAM | H2 | 119.8° | 119.7° |
| CAM | CAL | H3 | 120.1° | 120.0° |
| SAR | CAS | CAK | 130.6° | 131.2° |
| CAS | CAK | CAL | 119.8° | 120.2° |
| CAS | CAK | CLAJ | 120.7° | 119.9° |
| CAL | CAK | CLAJ | 119.6° | 119.9° |
| CAK | CAL | H3 | 120.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAI | CAD | CAE | CAC | 180.0° | 179.4° |
| OAI | CAD | CAE | CAF | 179.9° | 180.0° |
| OAI | CAD | CAC | SAB | 0.9° | 0.3° |
| OAI | CAD | CAC | CAH | 179.7° | 180.0° |
| OAI | CAD | CAE | H8 | 0.1° | 0.5° |
| CAD | CAE | CAF | H8 | 180.0° | 179.5° |
| CAD | CAE | CAF | CAG | 0.1° | 0.3° |
| CAE | CAD | CAC | SAB | 179.1° | 179.7° |
| CAE | CAD | CAC | CAH | 0.3° | 0.5° |
| CAD | CAE | CAF | H7 | 179.9° | 179.7° |
| CAE | CAD | OAI | H9 | 180.0° | 84.9° |
| CAF | CAE | CAD | CAC | 0.1° | 0.6° |
| CAE | CAF | CAG | H7 | 180.0° | 180.0° |
| CAE | CAF | CAG | CAH | 0.3° | 0.1° |
| CAE | CAF | CAG | H6 | 179.7° | 180.0° |
| CAD | CAC | SAB | OAU | 64.9° | 177.3° |
| CAD | CAC | SAB | NAT | 51.3° | 63.7° |
| CAD | CAC | SAB | CAH | 178.8° | 179.8° |
| CAD | CAC | SAB | OAA | 174.8° | 49.8° |
| CAD | CAC | CAH | CAG | 0.7° | 0.3° |
| CAD | CAC | CAH | H5 | 179.2° | 179.7° |
| CAC | CAD | CAE | H8 | 179.9° | 180.0° |
| CAC | CAD | OAI | H9 | 0.0° | 95.6° |
| CAF | CAG | CAH | CAC | 0.7° | 0.0° |
| CAF | CAG | CAH | H6 | 180.0° | 179.9° |
| CAF | CAG | CAH | H5 | 179.2° | 180.0° |
| CAG | CAF | CAE | H8 | 179.8° | 179.8° |
| OAU | SAB | NAT | CAC | 113.7° | 113.6° |
| OAU | SAB | NAT | OAA | 124.5° | 132.9° |
| OAU | SAB | NAT | CAQ | 165.4° | 48.6° |
| OAU | SAB | CAC | OAA | 120.3° | 133.0° |
| OAU | SAB | CAC | CAH | 113.9° | 2.5° |
| OAU | SAB | NAT | H4 | 72.3° | 131.4° |
| SAB | NAT | CAQ | H4 | 122.3° | 180.0° |
| NAT | SAB | CAC | OAA | 123.6° | 113.5° |
| NAT | SAB | CAC | CAH | 130.0° | 116.0° |
| SAB | NAT | CAQ | NAP | 172.8° | 174.9° |
| SAB | NAT | CAQ | SAR | 8.9° | 5.0° |
| CAQ | NAT | SAB | CAC | 80.9° | 65.0° |
| NAT | CAQ | NAP | SAR | 178.6° | 180.0° |
| NAT | CAQ | NAP | CAO | 179.6° | 180.0° |
| CAQ | NAT | SAB | OAA | 40.9° | 178.5° |
| NAT | CAQ | SAR | CAS | 179.5° | 179.9° |
| SAB | CAC | CAH | CAG | 179.6° | 180.0° |
| CAC | SAB | NAT | H4 | 41.4° | 115.0° |
| SAB | CAC | CAH | H5 | 0.4° | 0.0° |
| CAH | CAC | SAB | OAA | 6.4° | 130.5° |
| CAC | CAH | CAG | H5 | 180.0° | 180.0° |
| CAC | CAH | CAG | H6 | 179.2° | 180.0° |
| CAQ | NAP | CAO | CAN | 180.0° | 180.0° |
| CAQ | NAP | CAO | CAS | 0.6° | 0.0° |
| NAP | CAQ | SAR | CAS | 0.9° | 0.0° |
| NAP | CAQ | NAT | H4 | 50.5° | 5.1° |
| CAO | NAP | CAQ | SAR | 1.0° | 0.0° |
| NAP | CAO | CAN | CAS | 179.4° | 180.0° |
| NAP | CAO | CAN | CAM | 179.8° | 180.0° |
| NAP | CAO | CAS | SAR | 0.2° | 0.0° |
| NAP | CAO | CAS | CAK | 179.9° | 180.0° |
| NAP | CAO | CAN | H1 | 0.2° | 0.0° |
| OAA | SAB | NAT | H4 | 163.1° | 1.4° |
| CAH | CAG | CAF | H7 | 179.7° | 180.0° |
| CAQ | SAR | CAS | CAO | 0.6° | 0.0° |
| CAQ | SAR | CAS | CAK | 179.7° | 180.0° |
| SAR | CAQ | NAT | H4 | 131.1° | 174.9° |
| CAO | CAN | CAM | H1 | 180.0° | 180.0° |
| CAO | CAN | CAM | CAL | 0.2° | 0.0° |
| CAN | CAO | CAS | SAR | 179.3° | 180.0° |
| CAN | CAO | CAS | CAK | 0.4° | 0.0° |
| CAO | CAN | CAM | H2 | 179.8° | 180.0° |
| CAM | CAN | CAO | CAS | 0.4° | 0.0° |
| CAN | CAM | CAL | H2 | 180.0° | 180.0° |
| CAN | CAM | CAL | CAK | 0.1° | 0.0° |
| CAN | CAM | CAL | H3 | 179.9° | 179.9° |
| CAO | CAS | SAR | CAK | 179.7° | 180.0° |
| CAO | CAS | CAK | CAL | 0.3° | 0.0° |
| CAO | CAS | CAK | CLAJ | 179.4° | 180.0° |
| CAS | CAO | CAN | H1 | 179.6° | 180.0° |
| CAM | CAL | CAK | CAS | 0.1° | 0.0° |
| CAM | CAL | CAK | H3 | 180.0° | 179.9° |
| CAM | CAL | CAK | CLAJ | 179.6° | 180.0° |
| CAL | CAM | CAN | H1 | 179.8° | 180.0° |
| SAR | CAS | CAK | CAL | 179.4° | 180.0° |
| SAR | CAS | CAK | CLAJ | 0.9° | 0.0° |
| CAS | CAK | CAL | CLAJ | 179.7° | 180.0° |
| CAS | CAK | CAL | H3 | 179.8° | 179.9° |
| CAK | CAL | CAM | H2 | 179.9° | 179.9° |
| CLAJ | CAK | CAL | H3 | 0.5° | 0.0° |
| H1 | CAN | CAM | H2 | 0.2° | 0.0° |
| H2 | CAM | CAL | H3 | 0.1° | 0.0° |
| H5 | CAH | CAG | H6 | 0.8° | 0.1° |
| H6 | CAG | CAF | H7 | 0.3° | 0.0° |
| H7 | CAF | CAE | H8 | 0.2° | 0.2° |
