14I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAF | doub | 1.41Å | 1.40Å | Aromatic |
| CAA | CAB | sing | 1.36Å | 1.40Å | Aromatic |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| CAB | CAC | doub | 1.40Å | 1.39Å | Aromatic |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAC | CAD | sing | 1.40Å | 1.47Å | Aromatic |
| CAC | OAM | sing | 1.35Å | 1.41Å | Aromatic |
| CAE | CAD | doub | 1.46Å | 1.39Å | Aromatic |
| CAD | CAK | sing | 1.41Å | 1.44Å | Aromatic |
| CAF | CAE | sing | 1.41Å | 1.50Å | Aromatic |
| CAE | CAG | sing | 1.46Å | 1.39Å | Aromatic |
| CAJ | CAF | sing | 1.41Å | 1.40Å | Aromatic |
| CAH | CAG | doub | 1.40Å | 1.47Å | Aromatic |
| CAG | CAN | sing | 1.41Å | 1.44Å | Aromatic |
| CAI | CAH | sing | 1.40Å | 1.38Å | Aromatic |
| CAH | OAP | sing | 1.35Å | 1.40Å | Aromatic |
| CAJ | CAI | doub | 1.36Å | 1.38Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | CAL | doub | 1.36Å | 1.41Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| OAM | CAL | sing | 1.35Å | 1.37Å | Aromatic |
| CAL | CAR | sing | 1.47Å | 1.48Å | |
| CAO | CAN | doub | 1.36Å | 1.40Å | Aromatic |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| OAP | CAO | sing | 1.35Å | 1.37Å | Aromatic |
| CAO | CAQ | sing | 1.47Å | 1.48Å | |
| OAT | CAQ | doub | 1.22Å | 1.25Å | |
| CAQ | OAU | sing | 1.35Å | 1.25Å | |
| OAV | CAR | doub | 1.22Å | 1.24Å | |
| CAR | OAS | sing | 1.35Å | 1.24Å | |
| OAS | HOAS | sing | 0.97Å | 0.95Å | |
| OAU | HOAU | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | CAA | CAB | 121.9° | 121.2° |
| CAF | CAA | HAA | 119.0° | 119.4° |
| CAA | CAF | CAE | 120.7° | 119.4° |
| CAA | CAF | CAJ | 118.2° | 121.2° |
| CAB | CAA | HAA | 119.1° | 119.4° |
| CAA | CAB | CAC | 118.0° | 121.7° |
| CAA | CAB | HAB | 121.0° | 119.1° |
| CAC | CAB | HAB | 121.0° | 119.2° |
| CAB | CAC | CAD | 123.2° | 119.8° |
| CAB | CAC | OAM | 128.9° | 132.8° |
| CAD | CAC | OAM | 107.9° | 107.4° |
| CAC | CAD | CAE | 119.2° | 119.0° |
| CAC | CAD | CAK | 107.7° | 106.6° |
| CAC | OAM | CAL | 105.9° | 109.8° |
| CAE | CAD | CAK | 133.1° | 134.3° |
| CAD | CAE | CAF | 117.0° | 118.9° |
| CAD | CAE | CAG | 126.2° | 122.2° |
| CAD | CAK | CAL | 103.8° | 106.8° |
| CAD | CAK | HAK | 128.1° | 126.6° |
| CAF | CAE | CAG | 116.8° | 118.9° |
| CAE | CAF | CAJ | 121.1° | 119.4° |
| CAE | CAG | CAH | 118.7° | 119.0° |
| CAE | CAG | CAN | 133.6° | 134.3° |
| CAF | CAJ | CAI | 121.7° | 121.2° |
| CAF | CAJ | HAJ | 119.1° | 119.4° |
| CAH | CAG | CAN | 107.7° | 106.6° |
| CAG | CAH | CAI | 123.6° | 119.8° |
| CAG | CAH | OAP | 107.7° | 107.4° |
| CAG | CAN | CAO | 103.7° | 106.8° |
| CAG | CAN | HAN | 128.2° | 126.6° |
| CAI | CAH | OAP | 128.7° | 132.8° |
| CAH | CAI | CAJ | 118.1° | 121.7° |
| CAH | CAI | HAI | 120.9° | 119.2° |
| CAH | OAP | CAO | 106.3° | 109.8° |
| CAJ | CAI | HAI | 120.9° | 119.1° |
| CAI | CAJ | HAJ | 119.2° | 119.4° |
| CAL | CAK | HAK | 128.1° | 126.6° |
| CAK | CAL | OAM | 114.7° | 109.3° |
| CAK | CAL | CAR | 126.3° | 125.3° |
| OAM | CAL | CAR | 119.0° | 125.3° |
| CAL | CAR | OAV | 116.7° | 120.1° |
| CAL | CAR | OAS | 120.0° | 120.0° |
| CAO | CAN | HAN | 128.1° | 126.6° |
| CAN | CAO | OAP | 114.6° | 109.3° |
| CAN | CAO | CAQ | 126.6° | 125.4° |
| OAP | CAO | CAQ | 118.8° | 125.3° |
| CAO | CAQ | OAT | 114.8° | 120.0° |
| CAO | CAQ | OAU | 120.3° | 120.1° |
| OAT | CAQ | OAU | 124.9° | 120.0° |
| CAQ | OAU | HOAU | 109.5° | 117.1° |
| OAV | CAR | OAS | 123.3° | 119.9° |
| CAR | OAS | HOAS | 109.5° | 117.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | CAA | CAB | HAA | 180.0° | 179.6° |
| CAF | CAA | CAB | CAC | 0.4° | 0.0° |
| CAF | CAA | CAB | HAB | 179.6° | 180.0° |
| CAA | CAF | CAE | CAD | 0.2° | 0.0° |
| CAA | CAF | CAE | CAJ | 180.0° | 180.0° |
| CAA | CAF | CAE | CAG | 179.7° | 180.0° |
| CAA | CAF | CAJ | CAI | 179.8° | 180.0° |
| CAA | CAF | CAJ | HAJ | 0.2° | 0.0° |
| CAA | CAB | CAC | HAB | 180.0° | 180.0° |
| CAA | CAB | CAC | CAD | 0.1° | 0.0° |
| CAA | CAB | CAC | OAM | 179.3° | 180.0° |
| CAB | CAA | CAF | CAE | 0.2° | 0.0° |
| CAB | CAA | CAF | CAJ | 179.8° | 180.0° |
| HAA | CAA | CAB | CAC | 179.6° | 179.6° |
| HAA | CAA | CAB | HAB | 0.4° | 0.3° |
| HAA | CAA | CAF | CAE | 179.8° | 179.6° |
| HAA | CAA | CAF | CAJ | 0.2° | 0.4° |
| CAB | CAC | CAD | OAM | 179.5° | 180.0° |
| CAB | CAC | CAD | CAE | 0.4° | 0.0° |
| CAB | CAC | CAD | CAK | 179.7° | 180.0° |
| CAB | CAC | OAM | CAL | 179.9° | 179.9° |
| HAB | CAB | CAC | CAD | 179.9° | 180.0° |
| HAB | CAB | CAC | OAM | 0.8° | 0.1° |
| CAC | CAD | CAE | CAK | 179.9° | 180.0° |
| CAC | CAD | CAE | CAF | 0.5° | 0.0° |
| CAC | CAD | CAE | CAG | 179.9° | 180.0° |
| CAC | CAD | CAK | CAL | 0.1° | 0.0° |
| CAC | CAD | CAK | HAK | 179.9° | 180.0° |
| CAD | CAC | OAM | CAL | 0.5° | 0.0° |
| OAM | CAC | CAD | CAE | 179.9° | 180.0° |
| OAM | CAC | CAD | CAK | 0.2° | 0.0° |
| CAC | OAM | CAL | CAK | 0.6° | 0.0° |
| CAC | OAM | CAL | CAR | 180.0° | 180.0° |
| CAD | CAE | CAF | CAG | 179.4° | 180.0° |
| CAD | CAE | CAF | CAJ | 179.8° | 180.0° |
| CAD | CAE | CAG | CAH | 180.0° | 180.0° |
| CAD | CAE | CAG | CAN | 0.8° | 0.0° |
| CAE | CAD | CAK | CAL | 179.8° | 180.0° |
| CAE | CAD | CAK | HAK | 0.2° | 0.0° |
| CAK | CAD | CAE | CAF | 179.6° | 180.0° |
| CAK | CAD | CAE | CAG | 0.2° | 0.0° |
| CAD | CAK | CAL | HAK | 180.0° | 180.0° |
| CAD | CAK | CAL | OAM | 0.5° | 0.0° |
| CAD | CAK | CAL | CAR | 179.7° | 180.0° |
| CAF | CAE | CAG | CAH | 0.6° | 0.0° |
| CAF | CAE | CAG | CAN | 179.9° | 180.0° |
| CAE | CAF | CAJ | CAI | 0.2° | 0.0° |
| CAE | CAF | CAJ | HAJ | 179.8° | 180.0° |
| CAG | CAE | CAF | CAJ | 0.3° | 0.0° |
| CAE | CAG | CAH | CAN | 179.4° | 180.0° |
| CAE | CAG | CAH | CAI | 0.9° | 0.0° |
| CAE | CAG | CAH | OAP | 179.7° | 180.0° |
| CAE | CAG | CAN | CAO | 179.3° | 180.0° |
| CAE | CAG | CAN | HAN | 0.7° | 0.0° |
| CAF | CAJ | CAI | CAH | 0.4° | 0.0° |
| CAF | CAJ | CAI | HAJ | 180.0° | 179.9° |
| CAF | CAJ | CAI | HAI | 179.6° | 179.9° |
| CAG | CAH | CAI | OAP | 178.5° | 180.0° |
| CAG | CAH | CAI | CAJ | 0.8° | 0.0° |
| CAG | CAH | CAI | HAI | 179.2° | 180.0° |
| CAH | CAG | CAN | CAO | 0.0° | 0.0° |
| CAH | CAG | CAN | HAN | 180.0° | 180.0° |
| CAG | CAH | OAP | CAO | 1.4° | 0.0° |
| CAN | CAG | CAH | CAI | 179.7° | 180.0° |
| CAN | CAG | CAH | OAP | 0.9° | 0.0° |
| CAG | CAN | CAO | HAN | 180.0° | 180.0° |
| CAG | CAN | CAO | OAP | 0.9° | 0.0° |
| CAG | CAN | CAO | CAQ | 179.1° | 180.0° |
| CAH | CAI | CAJ | HAI | 180.0° | 179.9° |
| CAH | CAI | CAJ | HAJ | 179.6° | 179.9° |
| CAI | CAH | OAP | CAO | 179.9° | 180.0° |
| OAP | CAH | CAI | CAJ | 179.3° | 180.0° |
| OAP | CAH | CAI | HAI | 0.7° | 0.1° |
| CAH | OAP | CAO | CAN | 1.5° | 0.0° |
| CAH | OAP | CAO | CAQ | 178.6° | 180.0° |
| HAI | CAI | CAJ | HAJ | 0.4° | 0.0° |
| CAK | CAL | OAM | CAR | 179.4° | 180.0° |
| CAK | CAL | CAR | OAV | 179.9° | 0.1° |
| CAK | CAL | CAR | OAS | 0.9° | 180.0° |
| HAK | CAK | CAL | OAM | 179.6° | 180.0° |
| HAK | CAK | CAL | CAR | 0.3° | 0.1° |
| OAM | CAL | CAR | OAV | 0.6° | 180.0° |
| OAM | CAL | CAR | OAS | 179.8° | 0.0° |
| CAL | CAR | OAV | OAS | 179.2° | 180.0° |
| CAL | CAR | OAS | HOAS | 179.2° | 180.0° |
| CAN | CAO | OAP | CAQ | 180.0° | 180.0° |
| CAN | CAO | CAQ | OAT | 179.1° | 0.1° |
| CAN | CAO | CAQ | OAU | 1.3° | 180.0° |
| HAN | CAN | CAO | OAP | 179.1° | 180.0° |
| HAN | CAN | CAO | CAQ | 0.9° | 0.1° |
| OAP | CAO | CAQ | OAT | 0.9° | 180.0° |
| OAP | CAO | CAQ | OAU | 178.7° | 0.0° |
| CAO | CAQ | OAT | OAU | 179.6° | 180.0° |
| CAO | CAQ | OAU | HOAU | 179.6° | 180.0° |
| OAT | CAQ | OAU | HOAU | 0.0° | 0.0° |
| OAV | CAR | OAS | HOAS | 0.0° | 0.0° |
