MIZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAE | sing | 1.51Å | 1.53Å | |
| CAE | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | NAH | sing | 1.32Å | 1.42Å | Aromatic |
| CAD | CAC | sing | 1.39Å | 1.38Å | Aromatic |
| CAC | CAB | sing | 1.51Å | 1.52Å | |
| CAC | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAG | CAN | sing | 1.51Å | 1.53Å | |
| CAG | NAH | doub | 1.32Å | 1.42Å | Aromatic |
| NAH | CAI | sing | 1.46Å | 1.50Å | |
| CAI | CAJ | sing | 1.53Å | 1.54Å | |
| CAJ | CAK | sing | 1.51Å | 1.54Å | |
| CAK | CAO | doub | 1.35Å | 1.33Å | Aromatic |
| CAK | NAL | sing | 1.34Å | 1.33Å | Aromatic |
| CAO | NAP | sing | 1.37Å | 1.33Å | Aromatic |
| NAP | CAM | sing | 1.35Å | 1.33Å | Aromatic |
| CAM | NAL | doub | 1.30Å | 1.33Å | Aromatic |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| CAN | HANB | sing | 1.09Å | 1.10Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAI | HAIA | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| NAP | HNAP | sing | 0.97Å | 1.00Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAE | CAD | 117.3° | 119.6° |
| CAA | CAE | NAH | 123.1° | 119.6° |
| CAE | CAA | HAA | 109.5° | 109.5° |
| CAE | CAA | HAAA | 109.5° | 109.5° |
| CAE | CAA | HAAB | 109.4° | 109.5° |
| CAD | CAE | NAH | 119.6° | 120.8° |
| CAE | CAD | CAC | 121.6° | 119.2° |
| CAE | CAD | HAD | 119.2° | 120.4° |
| CAE | NAH | CAG | 118.3° | 121.7° |
| CAE | NAH | CAI | 120.5° | 119.2° |
| CAD | CAC | CAB | 117.8° | 120.8° |
| CAD | CAC | CAF | 120.1° | 118.5° |
| CAC | CAD | HAD | 119.2° | 120.4° |
| CAB | CAC | CAF | 122.1° | 120.7° |
| CAC | CAB | HAB | 109.5° | 109.5° |
| CAC | CAB | HABA | 109.5° | 109.5° |
| CAC | CAB | HABB | 109.4° | 109.4° |
| CAC | CAF | CAG | 119.8° | 119.1° |
| CAC | CAF | HAF | 120.1° | 120.5° |
| CAF | CAG | CAN | 118.1° | 119.6° |
| CAF | CAG | NAH | 120.6° | 120.7° |
| CAG | CAF | HAF | 120.1° | 120.4° |
| CAN | CAG | NAH | 121.3° | 119.6° |
| CAG | CAN | HAN | 109.5° | 109.5° |
| CAG | CAN | HANA | 109.5° | 109.5° |
| CAG | CAN | HANB | 109.4° | 109.5° |
| CAG | NAH | CAI | 121.1° | 119.1° |
| NAH | CAI | CAJ | 112.5° | 109.5° |
| NAH | CAI | HAI | 108.5° | 109.5° |
| NAH | CAI | HAIA | 107.8° | 109.5° |
| CAI | CAJ | CAK | 112.3° | 109.5° |
| CAJ | CAI | HAI | 108.5° | 109.4° |
| CAJ | CAI | HAIA | 107.8° | 109.4° |
| CAI | CAJ | HAJ | 108.5° | 109.5° |
| CAI | CAJ | HAJA | 107.9° | 109.4° |
| CAJ | CAK | CAO | 125.6° | 126.0° |
| CAJ | CAK | NAL | 126.6° | 126.0° |
| CAK | CAJ | HAJ | 108.5° | 109.5° |
| CAK | CAJ | HAJA | 107.9° | 109.5° |
| CAO | CAK | NAL | 107.8° | 108.0° |
| CAK | CAO | NAP | 108.1° | 106.8° |
| CAK | CAO | HAO | 125.9° | 126.6° |
| CAK | NAL | CAM | 108.2° | 109.2° |
| CAO | NAP | CAM | 108.0° | 107.2° |
| NAP | CAO | HAO | 125.9° | 126.6° |
| CAO | NAP | HNAP | 126.0° | 126.4° |
| NAP | CAM | NAL | 107.9° | 108.8° |
| CAM | NAP | HNAP | 126.0° | 126.4° |
| NAP | CAM | HAM | 126.1° | 125.6° |
| NAL | CAM | HAM | 126.0° | 125.6° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.4° |
| HAB | CAB | HABA | 109.5° | 109.5° |
| HAB | CAB | HABB | 109.4° | 109.5° |
| HABA | CAB | HABB | 109.5° | 109.4° |
| HAN | CAN | HANA | 109.4° | 109.5° |
| HAN | CAN | HANB | 109.5° | 109.5° |
| HANA | CAN | HANB | 109.5° | 109.5° |
| HAI | CAI | HAIA | 111.8° | 109.5° |
| HAJ | CAJ | HAJA | 111.7° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAE | CAD | NAH | 179.6° | 179.7° |
| CAA | CAE | CAD | CAC | 179.6° | 179.9° |
| CAA | CAE | NAH | CAG | 179.5° | 179.7° |
| CAA | CAE | NAH | CAI | 0.9° | 0.1° |
| CAE | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAE | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAE | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAE | CAD | HAD | 0.3° | 0.0° |
| CAE | CAD | CAC | HAD | 180.0° | 179.9° |
| CAE | CAD | CAC | CAB | 179.8° | 179.9° |
| CAE | CAD | CAC | CAF | 0.3° | 0.0° |
| CAD | CAE | NAH | CAG | 0.9° | 0.6° |
| CAD | CAE | NAH | CAI | 179.5° | 179.7° |
| CAD | CAE | CAA | HAA | 103.5° | 96.1° |
| CAD | CAE | CAA | HAAA | 136.5° | 143.9° |
| CAD | CAE | CAA | HAAB | 16.5° | 23.9° |
| NAH | CAE | CAD | CAC | 0.7° | 0.3° |
| CAE | NAH | CAG | CAF | 0.7° | 0.6° |
| CAE | NAH | CAG | CAN | 179.6° | 179.7° |
| CAE | NAH | CAG | CAI | 178.6° | 179.7° |
| CAE | NAH | CAI | CAJ | 66.1° | 85.3° |
| NAH | CAE | CAA | HAA | 76.9° | 84.2° |
| NAH | CAE | CAA | HAAA | 43.1° | 35.8° |
| NAH | CAE | CAA | HAAB | 163.1° | 155.8° |
| NAH | CAE | CAD | HAD | 179.3° | 179.7° |
| CAE | NAH | CAI | HAI | 53.8° | 154.7° |
| CAE | NAH | CAI | HAIA | 175.1° | 34.6° |
| CAD | CAC | CAB | CAF | 179.9° | 180.0° |
| CAD | CAC | CAF | CAG | 0.0° | 0.0° |
| CAD | CAC | CAB | HAB | 96.5° | 90.0° |
| CAD | CAC | CAB | HABA | 23.6° | 149.9° |
| CAD | CAC | CAB | HABB | 143.6° | 30.0° |
| CAD | CAC | CAF | HAF | 179.9° | 180.0° |
| CAB | CAC | CAF | CAG | 179.9° | 180.0° |
| CAB | CAC | CAD | HAD | 0.2° | 0.0° |
| CAC | CAB | HAB | HABA | 120.0° | 120.1° |
| CAC | CAB | HAB | HABB | 119.9° | 120.0° |
| CAC | CAB | HABA | HABB | 120.0° | 119.9° |
| CAB | CAC | CAF | HAF | 0.0° | 0.0° |
| CAC | CAF | CAG | HAF | 180.0° | 180.0° |
| CAC | CAF | CAG | CAN | 180.0° | 180.0° |
| CAC | CAF | CAG | NAH | 0.2° | 0.3° |
| CAF | CAC | CAD | HAD | 179.7° | 180.0° |
| CAF | CAC | CAB | HAB | 83.7° | 90.0° |
| CAF | CAC | CAB | HABA | 156.3° | 30.1° |
| CAF | CAC | CAB | HABB | 36.3° | 150.0° |
| CAF | CAG | CAN | NAH | 179.8° | 179.7° |
| CAF | CAG | NAH | CAI | 179.3° | 179.7° |
| CAF | CAG | CAN | HAN | 72.5° | 90.0° |
| CAF | CAG | CAN | HANA | 167.5° | 150.0° |
| CAF | CAG | CAN | HANB | 47.5° | 30.0° |
| CAN | CAG | NAH | CAI | 1.0° | 0.0° |
| CAN | CAG | CAF | HAF | 0.0° | 0.0° |
| CAG | CAN | HAN | HANA | 120.0° | 120.0° |
| CAG | CAN | HAN | HANB | 120.0° | 120.0° |
| CAG | CAN | HANA | HANB | 120.0° | 120.0° |
| CAG | NAH | CAI | CAJ | 115.3° | 94.4° |
| NAH | CAG | CAF | HAF | 179.7° | 179.7° |
| NAH | CAG | CAN | HAN | 107.3° | 89.7° |
| NAH | CAG | CAN | HANA | 12.7° | 30.3° |
| NAH | CAG | CAN | HANB | 132.7° | 150.3° |
| CAG | NAH | CAI | HAI | 124.7° | 25.6° |
| CAG | NAH | CAI | HAIA | 3.4° | 145.7° |
| NAH | CAI | CAJ | HAI | 120.0° | 120.1° |
| NAH | CAI | CAJ | HAIA | 118.7° | 120.0° |
| NAH | CAI | CAJ | CAK | 155.4° | 180.0° |
| NAH | CAI | HAI | HAIA | 118.8° | 120.0° |
| NAH | CAI | CAJ | HAJ | 84.6° | 59.9° |
| NAH | CAI | CAJ | HAJA | 36.6° | 60.0° |
| CAI | CAJ | CAK | HAJ | 120.0° | 120.0° |
| CAI | CAJ | CAK | HAJA | 118.8° | 120.0° |
| CAI | CAJ | CAK | CAO | 132.8° | 125.0° |
| CAI | CAJ | CAK | NAL | 47.9° | 55.3° |
| CAJ | CAI | HAI | HAIA | 118.8° | 119.9° |
| CAI | CAJ | HAJ | HAJA | 118.9° | 119.9° |
| CAJ | CAK | CAO | NAL | 179.4° | 179.7° |
| CAJ | CAK | CAO | NAP | 179.7° | 180.0° |
| CAJ | CAK | NAL | CAM | 179.6° | 179.9° |
| CAK | CAJ | CAI | HAI | 35.4° | 60.0° |
| CAK | CAJ | CAI | HAIA | 85.9° | 60.0° |
| CAK | CAJ | HAJ | HAJA | 118.8° | 120.0° |
| CAJ | CAK | CAO | HAO | 0.2° | 0.0° |
| CAK | CAO | NAP | HAO | 180.0° | 180.0° |
| CAK | CAO | NAP | CAM | 0.3° | 0.0° |
| CAO | CAK | NAL | CAM | 0.2° | 0.4° |
| CAO | CAK | CAJ | HAJ | 107.2° | 5.0° |
| CAO | CAK | CAJ | HAJA | 14.0° | 115.0° |
| CAK | CAO | NAP | HNAP | 179.6° | 180.0° |
| NAL | CAK | CAO | NAP | 0.3° | 0.2° |
| CAK | NAL | CAM | NAP | 0.1° | 0.4° |
| NAL | CAK | CAJ | HAJ | 72.1° | 175.3° |
| NAL | CAK | CAJ | HAJA | 166.7° | 64.7° |
| NAL | CAK | CAO | HAO | 179.7° | 179.8° |
| CAK | NAL | CAM | HAM | 179.9° | 179.9° |
| CAO | NAP | CAM | HNAP | 180.0° | 180.0° |
| CAO | NAP | CAM | NAL | 0.2° | 0.2° |
| CAO | NAP | CAM | HAM | 179.7° | 180.0° |
| NAP | CAM | NAL | HAM | 180.0° | 179.8° |
| CAM | NAP | CAO | HAO | 179.6° | 180.0° |
| NAL | CAM | NAP | HNAP | 179.7° | 179.7° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAB | CAB | HABA | HABB | 120.0° | 120.0° |
| HAN | CAN | HANA | HANB | 120.0° | 120.0° |
| HAI | CAI | CAJ | HAJ | 155.4° | 180.0° |
| HAI | CAI | CAJ | HAJA | 83.4° | 60.1° |
| HAIA | CAI | CAJ | HAJ | 34.1° | 60.1° |
| HAIA | CAI | CAJ | HAJA | 155.3° | 180.0° |
| HAO | CAO | NAP | HNAP | 0.4° | 0.0° |
| HNAP | NAP | CAM | HAM | 0.3° | 0.0° |
