A1IH1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAB | sing | 1.36Å | 1.33Å | |
| CAC | CAB | doub | 1.38Å | 1.37Å | Aromatic |
| CAC | CAD | sing | 1.39Å | 1.37Å | Aromatic |
| CAB | CAG | sing | 1.41Å | 1.33Å | Aromatic |
| CAD | CAE | doub | 1.38Å | 1.38Å | Aromatic |
| CAG | NAH | sing | 1.35Å | 1.36Å | Aromatic |
| CAG | CAF | doub | 1.40Å | 1.34Å | Aromatic |
| NAH | CAI | doub | 1.29Å | 1.31Å | Aromatic |
| CAE | CAF | sing | 1.39Å | 1.35Å | Aromatic |
| CAE | CL1 | sing | 1.74Å | 1.75Å | |
| CAF | SAR | sing | 1.76Å | 1.75Å | Aromatic |
| CAI | NAJ | sing | 1.38Å | 1.32Å | |
| CAI | SAR | sing | 1.76Å | 1.70Å | Aromatic |
| NAJ | SAK | sing | 1.66Å | 1.59Å | |
| SAK | OAU | doub | 1.42Å | 1.54Å | |
| SAK | CAL | sing | 1.76Å | 1.69Å | |
| SAK | OAT | doub | 1.42Å | 1.47Å | |
| CAL | CAQ | doub | 1.38Å | 1.36Å | Aromatic |
| CAL | CAM | sing | 1.38Å | 1.37Å | Aromatic |
| CAQ | CAP | sing | 1.38Å | 1.37Å | Aromatic |
| CAM | CAN | doub | 1.38Å | 1.37Å | Aromatic |
| CAP | CAO | doub | 1.39Å | 1.38Å | Aromatic |
| CAN | CAO | sing | 1.39Å | 1.37Å | Aromatic |
| CAO | OAV | sing | 1.36Å | 1.32Å | |
| CAM | H1 | sing | 1.08Å | 1.08Å | |
| CAN | H2 | sing | 1.08Å | 1.08Å | |
| OAV | H3 | sing | 0.97Å | 0.95Å | |
| CAP | H4 | sing | 1.08Å | 1.08Å | |
| CAQ | H5 | sing | 1.08Å | 1.08Å | |
| NAJ | H6 | sing | 0.97Å | 1.00Å | |
| CAD | H7 | sing | 1.08Å | 1.08Å | |
| CAC | H8 | sing | 1.08Å | 1.08Å | |
| OAA | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAB | CAC | 119.0° | 119.8° |
| OAA | CAB | CAG | 119.9° | 119.8° |
| CAB | OAA | H9 | 109.5° | 114.0° |
| CAB | CAC | CAD | 119.8° | 120.5° |
| CAC | CAB | CAG | 121.1° | 120.4° |
| CAB | CAC | H8 | 120.1° | 119.7° |
| CAC | CAD | CAE | 118.8° | 120.0° |
| CAC | CAD | H7 | 120.6° | 119.9° |
| CAD | CAC | H8 | 120.1° | 119.7° |
| CAB | CAG | NAH | 126.4° | 128.7° |
| CAB | CAG | CAF | 119.2° | 118.4° |
| CAD | CAE | CAF | 119.0° | 120.3° |
| CAD | CAE | CL1 | 121.1° | 119.9° |
| CAE | CAD | H7 | 120.6° | 120.1° |
| NAH | CAG | CAF | 114.4° | 112.9° |
| CAG | NAH | CAI | 114.4° | 117.9° |
| CAG | CAF | CAE | 122.1° | 120.5° |
| CAG | CAF | SAR | 108.8° | 108.4° |
| NAH | CAI | NAJ | 120.5° | 124.8° |
| NAH | CAI | SAR | 111.8° | 110.3° |
| CAF | CAE | CL1 | 119.9° | 119.9° |
| CAE | CAF | SAR | 129.0° | 131.1° |
| CAF | SAR | CAI | 90.5° | 90.5° |
| NAJ | CAI | SAR | 127.6° | 124.8° |
| CAI | NAJ | SAK | 122.2° | 120.0° |
| CAI | NAJ | H6 | 106.2° | 120.0° |
| NAJ | SAK | OAU | 109.6° | 106.4° |
| NAJ | SAK | CAL | 104.8° | 107.2° |
| NAJ | SAK | OAT | 115.7° | 106.4° |
| SAK | NAJ | H6 | 106.2° | 120.0° |
| OAU | SAK | CAL | 104.7° | 106.4° |
| OAU | SAK | OAT | 111.7° | 123.1° |
| CAL | SAK | OAT | 109.6° | 106.4° |
| SAK | CAL | CAQ | 118.0° | 120.0° |
| SAK | CAL | CAM | 122.7° | 119.9° |
| CAQ | CAL | CAM | 119.3° | 120.1° |
| CAL | CAQ | CAP | 119.3° | 120.1° |
| CAL | CAQ | H5 | 120.3° | 119.9° |
| CAL | CAM | CAN | 122.4° | 120.0° |
| CAL | CAM | H1 | 118.8° | 120.0° |
| CAQ | CAP | CAO | 121.1° | 119.9° |
| CAQ | CAP | H4 | 119.4° | 120.0° |
| CAP | CAQ | H5 | 120.4° | 120.0° |
| CAM | CAN | CAO | 118.5° | 120.0° |
| CAN | CAM | H1 | 118.8° | 120.0° |
| CAM | CAN | H2 | 120.8° | 119.9° |
| CAP | CAO | CAN | 119.4° | 119.9° |
| CAP | CAO | OAV | 121.1° | 120.0° |
| CAO | CAP | H4 | 119.4° | 120.1° |
| CAN | CAO | OAV | 119.5° | 120.1° |
| CAO | CAN | H2 | 120.8° | 120.1° |
| CAO | OAV | H3 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAB | CAC | CAG | 179.0° | 179.8° |
| OAA | CAB | CAC | CAD | 179.3° | 180.0° |
| OAA | CAB | CAG | NAH | 0.5° | 0.1° |
| OAA | CAB | CAG | CAF | 179.4° | 180.0° |
| OAA | CAB | CAC | H8 | 0.7° | 0.1° |
| CAB | CAC | CAD | H8 | 180.0° | 179.9° |
| CAB | CAC | CAD | CAE | 1.4° | 0.1° |
| CAC | CAB | CAG | NAH | 178.5° | 180.0° |
| CAC | CAB | CAG | CAF | 1.6° | 0.1° |
| CAB | CAC | CAD | H7 | 178.6° | 180.0° |
| CAC | CAB | OAA | H9 | 180.0° | 90.0° |
| CAD | CAC | CAB | CAG | 1.7° | 0.1° |
| CAC | CAD | CAE | H7 | 180.0° | 180.0° |
| CAC | CAD | CAE | CAF | 1.1° | 0.0° |
| CAC | CAD | CAE | CL1 | 179.8° | 180.0° |
| CAB | CAG | NAH | CAF | 179.9° | 179.9° |
| CAB | CAG | NAH | CAI | 180.0° | 180.0° |
| CAB | CAG | CAF | CAE | 1.3° | 0.1° |
| CAB | CAG | CAF | SAR | 179.4° | 179.8° |
| CAG | CAB | CAC | H8 | 178.3° | 180.0° |
| CAG | CAB | OAA | H9 | 0.9° | 90.2° |
| CAD | CAE | CAF | CAG | 1.1° | 0.1° |
| CAD | CAE | CAF | CL1 | 179.1° | 179.9° |
| CAD | CAE | CAF | SAR | 178.7° | 179.8° |
| CAE | CAD | CAC | H8 | 178.6° | 180.0° |
| NAH | CAG | CAF | CAE | 178.8° | 180.0° |
| NAH | CAG | CAF | SAR | 0.7° | 0.1° |
| CAG | NAH | CAI | NAJ | 177.3° | 179.9° |
| CAG | NAH | CAI | SAR | 0.6° | 0.2° |
| CAF | CAG | NAH | CAI | 0.1° | 0.1° |
| CAG | CAF | CAE | SAR | 177.7° | 179.9° |
| CAG | CAF | CAE | CL1 | 179.8° | 180.0° |
| CAG | CAF | SAR | CAI | 0.9° | 0.2° |
| NAH | CAI | SAR | CAF | 0.9° | 0.2° |
| NAH | CAI | NAJ | SAR | 177.6° | 179.6° |
| NAH | CAI | NAJ | SAK | 161.0° | 179.7° |
| NAH | CAI | NAJ | H6 | 39.2° | 0.3° |
| CAE | CAF | SAR | CAI | 178.8° | 179.9° |
| CAF | CAE | CAD | H7 | 178.9° | 180.0° |
| CL1 | CAE | CAF | SAR | 2.2° | 0.1° |
| CL1 | CAE | CAD | H7 | 0.2° | 0.1° |
| CAF | SAR | CAI | NAJ | 176.9° | 179.9° |
| CAI | NAJ | SAK | H6 | 121.8° | 179.9° |
| CAI | NAJ | SAK | OAU | 164.2° | 178.5° |
| CAI | NAJ | SAK | CAL | 83.9° | 65.0° |
| CAI | NAJ | SAK | OAT | 36.9° | 48.6° |
| SAR | CAI | NAJ | SAK | 21.5° | 0.1° |
| SAR | CAI | NAJ | H6 | 143.3° | 180.0° |
| NAJ | SAK | OAU | CAL | 111.9° | 114.1° |
| NAJ | SAK | OAU | OAT | 129.5° | 122.9° |
| NAJ | SAK | CAL | OAT | 124.7° | 113.5° |
| NAJ | SAK | CAL | CAQ | 92.9° | 90.0° |
| NAJ | SAK | CAL | CAM | 86.1° | 90.6° |
| OAU | SAK | CAL | OAT | 119.9° | 132.9° |
| OAU | SAK | CAL | CAQ | 22.4° | 23.5° |
| OAU | SAK | CAL | CAM | 158.5° | 155.9° |
| OAU | SAK | NAJ | H6 | 74.0° | 1.4° |
| SAK | CAL | CAQ | CAM | 179.1° | 179.4° |
| SAK | CAL | CAQ | CAP | 178.4° | 180.0° |
| SAK | CAL | CAM | CAN | 179.1° | 180.0° |
| SAK | CAL | CAM | H1 | 0.9° | 0.3° |
| SAK | CAL | CAQ | H5 | 1.6° | 0.3° |
| CAL | SAK | NAJ | H6 | 37.9° | 115.0° |
| OAT | SAK | CAL | CAQ | 142.3° | 156.4° |
| OAT | SAK | CAL | CAM | 38.6° | 23.0° |
| OAT | SAK | NAJ | H6 | 158.7° | 131.5° |
| CAL | CAQ | CAP | H5 | 180.0° | 179.7° |
| CAQ | CAL | CAM | CAN | 0.1° | 0.6° |
| CAL | CAQ | CAP | CAO | 1.2° | 0.3° |
| CAQ | CAL | CAM | H1 | 179.9° | 179.7° |
| CAL | CAQ | CAP | H4 | 178.8° | 179.7° |
| CAM | CAL | CAQ | CAP | 0.7° | 0.6° |
| CAL | CAM | CAN | H1 | 180.0° | 179.7° |
| CAL | CAM | CAN | CAO | 0.4° | 0.3° |
| CAL | CAM | CAN | H2 | 179.7° | 179.7° |
| CAM | CAL | CAQ | H5 | 179.3° | 179.7° |
| CAQ | CAP | CAO | H4 | 180.0° | 180.0° |
| CAQ | CAP | CAO | CAN | 0.9° | 0.0° |
| CAQ | CAP | CAO | OAV | 179.7° | 180.0° |
| CAM | CAN | CAO | CAP | 0.1° | 0.0° |
| CAM | CAN | CAO | H2 | 180.0° | 180.0° |
| CAM | CAN | CAO | OAV | 179.5° | 180.0° |
| CAP | CAO | CAN | OAV | 179.4° | 180.0° |
| CAP | CAO | CAN | H2 | 179.8° | 180.0° |
| CAP | CAO | OAV | H3 | 180.0° | 90.0° |
| CAO | CAP | CAQ | H5 | 178.8° | 180.0° |
| CAO | CAN | CAM | H1 | 179.6° | 180.0° |
| CAN | CAO | OAV | H3 | 0.7° | 90.0° |
| CAN | CAO | CAP | H4 | 179.1° | 180.0° |
| OAV | CAO | CAN | H2 | 0.5° | 0.0° |
| OAV | CAO | CAP | H4 | 0.3° | 0.0° |
| H1 | CAM | CAN | H2 | 0.4° | 0.1° |
| H4 | CAP | CAQ | H5 | 1.2° | 0.0° |
| H7 | CAD | CAC | H8 | 1.4° | 0.1° |
