IK1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAA | CAM | sing | 1.35Å | 1.34Å | |
| NAB | CAN | sing | 1.35Å | 1.34Å | |
| OAC | CAM | doub | 1.21Å | 1.23Å | |
| OAD | CAN | doub | 1.22Å | 1.23Å | |
| CAF | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAO | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAI | sing | 1.38Å | 1.38Å | Aromatic |
| CAG | CAO | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAP | sing | 1.40Å | 1.40Å | Aromatic |
| CAI | CAP | doub | 1.40Å | 1.40Å | Aromatic |
| CAJ | CAQ | doub | 1.34Å | 1.33Å | Aromatic |
| CAJ | CAR | sing | 1.40Å | 1.36Å | Aromatic |
| NAK | CAM | sing | 1.35Å | 1.36Å | |
| NAK | CAS | sing | 1.39Å | 1.35Å | |
| SAL | CAQ | sing | 1.76Å | 1.63Å | Aromatic |
| SAL | CAS | sing | 1.71Å | 1.69Å | Aromatic |
| CAN | CAR | sing | 1.47Å | 1.36Å | |
| CAP | CAQ | sing | 1.48Å | 1.34Å | |
| CAR | CAS | doub | 1.37Å | 1.36Å | Aromatic |
| NAA | HAA1 | sing | 0.97Å | 1.00Å | |
| NAA | HAA2 | sing | 0.97Å | 1.00Å | |
| NAB | HAB1 | sing | 0.97Å | 1.00Å | |
| NAB | HAB2 | sing | 0.97Å | 1.00Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| NAK | HAK | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAA | CAM | OAC | 120.7° | 120.0° |
| NAA | CAM | NAK | 117.4° | 120.0° |
| CAM | NAA | HAA1 | 120.0° | 120.0° |
| CAM | NAA | HAA2 | 120.0° | 120.0° |
| NAB | CAN | OAD | 121.1° | 120.0° |
| NAB | CAN | CAR | 119.5° | 120.0° |
| CAN | NAB | HAB1 | 120.0° | 120.1° |
| CAN | NAB | HAB2 | 120.0° | 120.0° |
| OAC | CAM | NAK | 121.8° | 120.0° |
| OAD | CAN | CAR | 119.1° | 120.0° |
| CAH | CAF | CAO | 120.1° | 120.2° |
| CAF | CAH | CAP | 120.8° | 119.8° |
| CAH | CAF | HAF | 119.9° | 119.9° |
| CAF | CAH | HAH | 119.6° | 120.1° |
| CAF | CAO | CAG | 119.7° | 120.3° |
| CAO | CAF | HAF | 120.0° | 119.9° |
| CAF | CAO | HAO | 120.1° | 119.9° |
| CAI | CAG | CAO | 120.2° | 120.1° |
| CAG | CAI | CAP | 120.8° | 119.8° |
| CAI | CAG | HAG | 119.9° | 119.9° |
| CAG | CAI | HAI | 119.6° | 120.0° |
| CAG | CAO | HAO | 120.2° | 119.9° |
| CAO | CAG | HAG | 119.9° | 119.9° |
| CAH | CAP | CAI | 118.3° | 119.7° |
| CAH | CAP | CAQ | 122.1° | 120.1° |
| CAP | CAH | HAH | 119.6° | 120.1° |
| CAI | CAP | CAQ | 119.5° | 120.1° |
| CAP | CAI | HAI | 119.6° | 120.1° |
| CAQ | CAJ | CAR | 114.3° | 113.8° |
| CAJ | CAQ | SAL | 109.1° | 110.1° |
| CAJ | CAQ | CAP | 126.6° | 124.9° |
| CAQ | CAJ | HAJ | 122.8° | 123.1° |
| CAJ | CAR | CAN | 126.2° | 123.2° |
| CAJ | CAR | CAS | 114.1° | 113.7° |
| CAR | CAJ | HAJ | 122.8° | 123.1° |
| CAM | NAK | CAS | 120.4° | 120.0° |
| CAM | NAK | HAK | 119.8° | 120.0° |
| NAK | CAS | SAL | 126.1° | 124.8° |
| NAK | CAS | CAR | 127.4° | 124.8° |
| CAS | NAK | HAK | 119.8° | 120.0° |
| CAQ | SAL | CAS | 95.9° | 92.0° |
| SAL | CAQ | CAP | 124.2° | 124.9° |
| SAL | CAS | CAR | 106.5° | 110.4° |
| CAN | CAR | CAS | 119.7° | 123.1° |
| HAA1 | NAA | HAA2 | 120.1° | 120.0° |
| HAB1 | NAB | HAB2 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAA | CAM | OAC | NAK | 174.9° | 180.0° |
| NAA | CAM | NAK | CAS | 178.3° | 180.0° |
| CAM | NAA | HAA1 | HAA2 | 180.0° | 179.7° |
| NAA | CAM | NAK | HAK | 1.7° | 0.0° |
| NAB | CAN | OAD | CAR | 173.5° | 180.0° |
| NAB | CAN | CAR | CAJ | 0.9° | 0.0° |
| NAB | CAN | CAR | CAS | 179.1° | 179.9° |
| CAN | NAB | HAB1 | HAB2 | 180.0° | 179.9° |
| OAC | CAM | NAK | CAS | 6.6° | 0.0° |
| OAC | CAM | NAA | HAA1 | 0.0° | 0.0° |
| OAC | CAM | NAA | HAA2 | 180.0° | 179.7° |
| OAC | CAM | NAK | HAK | 173.4° | 179.9° |
| OAD | CAN | CAR | CAJ | 172.7° | 179.9° |
| OAD | CAN | CAR | CAS | 5.5° | 0.0° |
| OAD | CAN | NAB | HAB1 | 0.0° | 0.0° |
| OAD | CAN | NAB | HAB2 | 180.0° | 179.9° |
| CAH | CAF | CAO | HAF | 180.0° | 180.0° |
| CAH | CAF | CAO | CAG | 0.8° | 0.0° |
| CAF | CAH | CAP | HAH | 180.0° | 180.0° |
| CAF | CAH | CAP | CAI | 0.7° | 0.0° |
| CAF | CAH | CAP | CAQ | 179.3° | 180.0° |
| CAH | CAF | CAO | HAO | 179.2° | 180.0° |
| CAF | CAO | CAG | CAI | 0.4° | 0.0° |
| CAF | CAO | CAG | HAO | 180.0° | 180.0° |
| CAO | CAF | CAH | CAP | 1.0° | 0.0° |
| CAO | CAF | CAH | HAH | 179.0° | 180.0° |
| CAF | CAO | CAG | HAG | 179.7° | 179.8° |
| CAI | CAG | CAO | HAG | 180.0° | 179.8° |
| CAG | CAI | CAP | CAH | 0.2° | 0.1° |
| CAG | CAI | CAP | HAI | 180.0° | 179.9° |
| CAG | CAI | CAP | CAQ | 179.7° | 180.0° |
| CAI | CAG | CAO | HAO | 179.6° | 179.9° |
| CAO | CAG | CAI | CAP | 0.1° | 0.1° |
| CAG | CAO | CAF | HAF | 179.2° | 180.0° |
| CAO | CAG | CAI | HAI | 179.9° | 180.0° |
| CAH | CAP | CAI | CAQ | 180.0° | 179.9° |
| CAH | CAP | CAQ | CAJ | 2.0° | 0.0° |
| CAH | CAP | CAQ | SAL | 174.4° | 179.9° |
| CAP | CAH | CAF | HAF | 179.0° | 180.0° |
| CAH | CAP | CAI | HAI | 179.8° | 180.0° |
| CAI | CAP | CAQ | CAJ | 178.0° | 180.0° |
| CAI | CAP | CAQ | SAL | 5.6° | 0.0° |
| CAI | CAP | CAH | HAH | 179.3° | 180.0° |
| CAP | CAI | CAG | HAG | 179.9° | 179.7° |
| CAQ | CAJ | CAR | HAJ | 180.0° | 179.7° |
| CAJ | CAQ | SAL | CAP | 177.0° | 180.0° |
| CAJ | CAQ | SAL | CAS | 2.3° | 0.0° |
| CAQ | CAJ | CAR | CAN | 179.4° | 180.0° |
| CAQ | CAJ | CAR | CAS | 1.1° | 0.0° |
| CAJ | CAR | CAS | NAK | 177.8° | 180.0° |
| CAR | CAJ | CAQ | SAL | 2.3° | 0.0° |
| CAJ | CAR | CAS | SAL | 0.6° | 0.0° |
| CAJ | CAR | CAN | CAS | 178.2° | 179.9° |
| CAR | CAJ | CAQ | CAP | 179.2° | 180.0° |
| CAM | NAK | CAS | HAK | 180.0° | 179.9° |
| CAM | NAK | CAS | SAL | 15.8° | 0.0° |
| CAM | NAK | CAS | CAR | 166.2° | 179.9° |
| NAK | CAM | NAA | HAA1 | 175.1° | 180.0° |
| NAK | CAM | NAA | HAA2 | 4.9° | 0.3° |
| NAK | CAS | SAL | CAQ | 176.8° | 180.0° |
| NAK | CAS | SAL | CAR | 178.4° | 180.0° |
| NAK | CAS | CAR | CAN | 3.8° | 0.1° |
| CAQ | SAL | CAS | CAR | 1.6° | 0.0° |
| SAL | CAQ | CAJ | HAJ | 177.7° | 179.8° |
| SAL | CAS | CAR | CAN | 177.8° | 179.9° |
| CAS | SAL | CAQ | CAP | 179.2° | 180.0° |
| SAL | CAS | NAK | HAK | 164.2° | 179.9° |
| CAR | CAN | NAB | HAB1 | 173.5° | 180.0° |
| CAR | CAN | NAB | HAB2 | 6.5° | 0.0° |
| CAN | CAR | CAJ | HAJ | 0.6° | 0.3° |
| CAQ | CAP | CAH | HAH | 0.7° | 0.0° |
| CAQ | CAP | CAI | HAI | 0.3° | 0.1° |
| CAP | CAQ | CAJ | HAJ | 0.8° | 0.3° |
| CAS | CAR | CAJ | HAJ | 178.8° | 179.8° |
| CAR | CAS | NAK | HAK | 13.9° | 0.1° |
| HAF | CAF | CAH | HAH | 1.0° | 0.0° |
| HAF | CAF | CAO | HAO | 0.8° | 0.0° |
| HAO | CAO | CAG | HAG | 0.3° | 0.3° |
| HAG | CAG | CAI | HAI | 0.1° | 0.2° |
