A1IK7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAO | CAN | doub | 1.37Å | 1.40Å | Aromatic |
| CAO | CAP | sing | 1.39Å | 1.39Å | Aromatic |
| CAN | CAM | sing | 1.41Å | 1.40Å | Aromatic |
| CAP | CAQ | doub | 1.38Å | 1.41Å | Aromatic |
| CAM | NAL | sing | 1.35Å | 1.35Å | Aromatic |
| CAM | CAT | doub | 1.40Å | 1.42Å | Aromatic |
| NAL | CAK | doub | 1.29Å | 1.34Å | Aromatic |
| CAQ | CAT | sing | 1.39Å | 1.39Å | Aromatic |
| CAQ | CLAR | sing | 1.74Å | 1.72Å | |
| CAT | SAU | sing | 1.76Å | 1.73Å | Aromatic |
| CAK | NAJ | sing | 1.38Å | 1.33Å | |
| CAK | SAU | sing | 1.76Å | 1.73Å | Aromatic |
| NAJ | SAB | sing | 1.66Å | 1.63Å | |
| SAB | OAA | doub | 1.42Å | 1.51Å | |
| SAB | OAC | doub | 1.42Å | 1.51Å | |
| SAB | CAI | sing | 1.76Å | 1.76Å | |
| CAS | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| CAS | CAE | sing | 1.39Å | 1.39Å | Aromatic |
| OAD | CAE | sing | 1.36Å | 1.36Å | |
| CAI | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAE | CAF | doub | 1.39Å | 1.40Å | Aromatic |
| CAH | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAN | H1 | sing | 1.08Å | 1.08Å | |
| CAO | H2 | sing | 1.08Å | 1.08Å | |
| CAP | H3 | sing | 1.08Å | 1.08Å | |
| NAJ | H4 | sing | 0.97Å | 1.00Å | |
| CAS | H5 | sing | 1.08Å | 1.08Å | |
| OAD | H6 | sing | 0.97Å | 0.95Å | |
| CAF | H7 | sing | 1.08Å | 1.08Å | |
| CAG | H8 | sing | 1.08Å | 1.08Å | |
| CAH | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAN | CAO | CAP | 121.6° | 120.6° |
| CAO | CAN | CAM | 120.4° | 120.5° |
| CAO | CAN | H1 | 119.8° | 119.7° |
| CAN | CAO | H2 | 119.2° | 119.7° |
| CAO | CAP | CAQ | 118.1° | 120.0° |
| CAP | CAO | H2 | 119.2° | 119.7° |
| CAO | CAP | H3 | 121.0° | 120.0° |
| CAN | CAM | NAL | 129.3° | 128.8° |
| CAN | CAM | CAT | 118.1° | 118.4° |
| CAM | CAN | H1 | 119.8° | 119.8° |
| CAP | CAQ | CAT | 120.7° | 120.1° |
| CAP | CAQ | CLAR | 120.7° | 119.9° |
| CAQ | CAP | H3 | 121.0° | 120.0° |
| NAL | CAM | CAT | 112.6° | 112.9° |
| CAM | NAL | CAK | 116.4° | 117.9° |
| CAM | CAT | CAQ | 121.1° | 120.4° |
| CAM | CAT | SAU | 109.0° | 108.4° |
| NAL | CAK | NAJ | 126.7° | 124.8° |
| NAL | CAK | SAU | 109.7° | 110.3° |
| CAT | CAQ | CLAR | 118.5° | 119.9° |
| CAQ | CAT | SAU | 129.9° | 131.1° |
| CAT | SAU | CAK | 92.3° | 90.4° |
| NAJ | CAK | SAU | 123.6° | 124.8° |
| CAK | NAJ | SAB | 122.0° | 120.0° |
| CAK | NAJ | H4 | 106.2° | 120.0° |
| NAJ | SAB | OAA | 108.6° | 106.4° |
| NAJ | SAB | OAC | 112.2° | 106.4° |
| NAJ | SAB | CAI | 108.1° | 107.2° |
| SAB | NAJ | H4 | 106.2° | 120.0° |
| OAA | SAB | OAC | 109.8° | 123.1° |
| OAA | SAB | CAI | 108.4° | 106.4° |
| OAC | SAB | CAI | 109.7° | 106.4° |
| SAB | CAI | CAS | 119.3° | 120.0° |
| SAB | CAI | CAH | 120.3° | 120.0° |
| CAI | CAS | CAE | 120.4° | 120.0° |
| CAS | CAI | CAH | 120.4° | 120.0° |
| CAI | CAS | H5 | 119.8° | 120.0° |
| CAS | CAE | OAD | 119.2° | 120.1° |
| CAS | CAE | CAF | 119.4° | 119.9° |
| CAE | CAS | H5 | 119.8° | 120.0° |
| OAD | CAE | CAF | 121.4° | 120.1° |
| CAE | OAD | H6 | 109.5° | 114.0° |
| CAI | CAH | CAG | 119.3° | 120.1° |
| CAI | CAH | H9 | 120.3° | 119.9° |
| CAE | CAF | CAG | 120.3° | 119.9° |
| CAE | CAF | H7 | 119.9° | 120.0° |
| CAH | CAG | CAF | 120.3° | 120.0° |
| CAH | CAG | H8 | 119.8° | 120.0° |
| CAG | CAH | H9 | 120.4° | 119.9° |
| CAG | CAF | H7 | 119.9° | 120.0° |
| CAF | CAG | H8 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAN | CAO | CAP | H2 | 180.0° | 180.0° |
| CAO | CAN | CAM | H1 | 180.0° | 180.0° |
| CAN | CAO | CAP | CAQ | 0.3° | 0.0° |
| CAO | CAN | CAM | NAL | 179.5° | 180.0° |
| CAO | CAN | CAM | CAT | 0.4° | 0.0° |
| CAN | CAO | CAP | H3 | 179.7° | 179.9° |
| CAP | CAO | CAN | CAM | 0.1° | 0.0° |
| CAO | CAP | CAQ | H3 | 180.0° | 179.9° |
| CAO | CAP | CAQ | CAT | 0.9° | 0.0° |
| CAO | CAP | CAQ | CLAR | 178.9° | 180.0° |
| CAP | CAO | CAN | H1 | 179.9° | 179.9° |
| CAN | CAM | NAL | CAT | 179.2° | 180.0° |
| CAN | CAM | NAL | CAK | 179.9° | 180.0° |
| CAN | CAM | CAT | CAQ | 1.0° | 0.0° |
| CAN | CAM | CAT | SAU | 180.0° | 180.0° |
| CAM | CAN | CAO | H2 | 179.9° | 180.0° |
| CAP | CAQ | CAT | CAM | 1.3° | 0.0° |
| CAP | CAQ | CAT | CLAR | 178.0° | 180.0° |
| CAP | CAQ | CAT | SAU | 179.9° | 180.0° |
| CAQ | CAP | CAO | H2 | 179.7° | 180.0° |
| NAL | CAM | CAT | CAQ | 179.8° | 180.0° |
| NAL | CAM | CAT | SAU | 0.7° | 0.0° |
| CAM | NAL | CAK | NAJ | 179.4° | 179.9° |
| CAM | NAL | CAK | SAU | 0.7° | 0.0° |
| NAL | CAM | CAN | H1 | 0.5° | 0.0° |
| CAT | CAM | NAL | CAK | 0.9° | 0.0° |
| CAM | CAT | CAQ | SAU | 178.9° | 180.0° |
| CAM | CAT | CAQ | CLAR | 179.3° | 180.0° |
| CAM | CAT | SAU | CAK | 0.2° | 0.0° |
| CAT | CAM | CAN | H1 | 179.6° | 179.9° |
| NAL | CAK | SAU | CAT | 0.3° | 0.0° |
| NAL | CAK | NAJ | SAU | 179.9° | 179.9° |
| NAL | CAK | NAJ | SAB | 174.5° | 180.0° |
| NAL | CAK | NAJ | H4 | 52.8° | 0.1° |
| CAQ | CAT | SAU | CAK | 179.2° | 180.0° |
| CAT | CAQ | CAP | H3 | 179.1° | 179.9° |
| CLAR | CAQ | CAT | SAU | 1.9° | 0.0° |
| CLAR | CAQ | CAP | H3 | 1.1° | 0.1° |
| CAT | SAU | CAK | NAJ | 179.9° | 179.9° |
| CAK | NAJ | SAB | H4 | 121.7° | 179.9° |
| CAK | NAJ | SAB | OAA | 169.4° | 178.6° |
| CAK | NAJ | SAB | OAC | 47.9° | 48.5° |
| CAK | NAJ | SAB | CAI | 73.2° | 65.0° |
| SAU | CAK | NAJ | SAB | 5.4° | 0.1° |
| SAU | CAK | NAJ | H4 | 127.1° | 180.0° |
| NAJ | SAB | OAA | OAC | 123.0° | 122.9° |
| NAJ | SAB | OAA | CAI | 117.2° | 114.1° |
| NAJ | SAB | OAC | CAI | 120.2° | 114.1° |
| NAJ | SAB | CAI | CAS | 29.4° | 89.7° |
| NAJ | SAB | CAI | CAH | 151.2° | 90.0° |
| OAA | SAB | OAC | CAI | 118.9° | 123.0° |
| OAA | SAB | CAI | CAS | 88.2° | 156.7° |
| OAA | SAB | CAI | CAH | 91.2° | 23.6° |
| OAA | SAB | NAJ | H4 | 68.9° | 1.5° |
| OAC | SAB | CAI | CAS | 152.0° | 23.8° |
| OAC | SAB | CAI | CAH | 28.5° | 156.5° |
| OAC | SAB | NAJ | H4 | 169.6° | 131.4° |
| SAB | CAI | CAS | CAH | 179.4° | 179.7° |
| SAB | CAI | CAS | CAE | 179.5° | 180.0° |
| SAB | CAI | CAH | CAG | 179.5° | 179.8° |
| CAI | SAB | NAJ | H4 | 48.5° | 115.1° |
| SAB | CAI | CAS | H5 | 0.5° | 0.0° |
| SAB | CAI | CAH | H9 | 0.6° | 0.1° |
| CAI | CAS | CAE | H5 | 180.0° | 180.0° |
| CAI | CAS | CAE | OAD | 180.0° | 179.9° |
| CAI | CAS | CAE | CAF | 0.2° | 0.0° |
| CAS | CAI | CAH | CAG | 0.1° | 0.5° |
| CAS | CAI | CAH | H9 | 180.0° | 179.8° |
| CAS | CAE | OAD | CAF | 179.8° | 179.9° |
| CAE | CAS | CAI | CAH | 0.1° | 0.3° |
| CAS | CAE | CAF | CAG | 0.4° | 0.0° |
| CAS | CAE | OAD | H6 | 180.0° | 90.0° |
| CAS | CAE | CAF | H7 | 179.6° | 179.9° |
| OAD | CAE | CAF | CAG | 179.8° | 180.0° |
| OAD | CAE | CAS | H5 | 0.0° | 0.0° |
| OAD | CAE | CAF | H7 | 0.2° | 0.1° |
| CAI | CAH | CAG | H9 | 180.0° | 179.7° |
| CAI | CAH | CAG | CAF | 0.2° | 0.5° |
| CAH | CAI | CAS | H5 | 180.0° | 179.7° |
| CAI | CAH | CAG | H8 | 179.8° | 179.7° |
| CAE | CAF | CAG | CAH | 0.4° | 0.3° |
| CAE | CAF | CAG | H7 | 180.0° | 179.9° |
| CAF | CAE | CAS | H5 | 179.8° | 180.0° |
| CAF | CAE | OAD | H6 | 0.2° | 89.9° |
| CAE | CAF | CAG | H8 | 179.6° | 179.9° |
| CAH | CAG | CAF | H8 | 180.0° | 179.8° |
| CAH | CAG | CAF | H7 | 179.6° | 179.8° |
| CAF | CAG | CAH | H9 | 179.8° | 179.8° |
| H1 | CAN | CAO | H2 | 0.1° | 0.0° |
| H2 | CAO | CAP | H3 | 0.3° | 0.0° |
| H7 | CAF | CAG | H8 | 0.4° | 0.0° |
| H8 | CAG | CAH | H9 | 0.2° | 0.1° |
