IE2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAP | sing | 1.51Å | 1.54Å | |
| NAB | SAX | sing | 1.66Å | 1.62Å | |
| OAC | SAX | doub | 1.42Å | 1.45Å | |
| OAD | SAX | doub | 1.42Å | 1.46Å | |
| CAE | CAJ | doub | 1.39Å | 1.40Å | Aromatic |
| CAE | CAP | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAH | doub | 1.38Å | 1.41Å | Aromatic |
| CAF | CAQ | sing | 1.39Å | 1.44Å | Aromatic |
| CAG | CAI | sing | 1.38Å | 1.42Å | Aromatic |
| CAG | CAQ | doub | 1.39Å | 1.43Å | Aromatic |
| CAH | CAR | sing | 1.38Å | 1.42Å | Aromatic |
| CAI | CAR | doub | 1.38Å | 1.43Å | Aromatic |
| CAJ | CAT | sing | 1.39Å | 1.41Å | Aromatic |
| CAK | NAM | doub | 1.31Å | 1.34Å | Aromatic |
| CAK | CAS | sing | 1.39Å | 1.32Å | Aromatic |
| CAL | SAO | sing | 1.81Å | 1.83Å | |
| CAL | CAS | sing | 1.51Å | 1.54Å | |
| NAM | NAW | sing | 1.40Å | 1.27Å | Aromatic |
| NAN | CAP | doub | 1.32Å | 1.36Å | Aromatic |
| NAN | CAU | sing | 1.33Å | 1.35Å | Aromatic |
| SAO | CAU | sing | 1.76Å | 1.77Å | |
| CAQ | NAW | sing | 1.40Å | 1.38Å | Aromatic |
| CAR | SAX | sing | 1.76Å | 1.78Å | |
| CAS | CAV | doub | 1.37Å | 1.40Å | Aromatic |
| CAT | CAU | doub | 1.40Å | 1.42Å | Aromatic |
| CAT | CAV | sing | 1.47Å | 1.42Å | Aromatic |
| CAV | NAW | sing | 1.36Å | 1.34Å | Aromatic |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| NAB | HNAB | sing | 0.97Å | 1.00Å | |
| NAB | HNAA | sing | 0.97Å | 1.00Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAP | CAE | 122.9° | 119.3° |
| CAA | CAP | NAN | 116.1° | 119.3° |
| CAP | CAA | HAA | 109.5° | 109.5° |
| CAP | CAA | HAAA | 109.5° | 109.5° |
| CAP | CAA | HAAB | 109.4° | 109.5° |
| NAB | SAX | OAC | 112.0° | 106.4° |
| NAB | SAX | OAD | 110.2° | 106.4° |
| NAB | SAX | CAR | 109.0° | 107.2° |
| SAX | NAB | HNAB | 109.5° | 120.0° |
| SAX | NAB | HNAA | 109.5° | 120.0° |
| OAC | SAX | OAD | 114.8° | 123.1° |
| OAC | SAX | CAR | 102.3° | 106.4° |
| OAD | SAX | CAR | 108.1° | 106.4° |
| CAJ | CAE | CAP | 120.2° | 119.2° |
| CAE | CAJ | CAT | 121.8° | 118.2° |
| CAJ | CAE | HAE | 119.9° | 120.4° |
| CAE | CAJ | HAJ | 119.1° | 120.9° |
| CAE | CAP | NAN | 121.0° | 121.4° |
| CAP | CAE | HAE | 119.9° | 120.4° |
| CAH | CAF | CAQ | 129.1° | 120.0° |
| CAF | CAH | CAR | 112.6° | 120.0° |
| CAH | CAF | HAF | 115.5° | 120.0° |
| CAF | CAH | HAH | 123.7° | 120.0° |
| CAF | CAQ | CAG | 116.4° | 119.8° |
| CAF | CAQ | NAW | 134.8° | 120.1° |
| CAQ | CAF | HAF | 115.4° | 120.0° |
| CAI | CAG | CAQ | 116.5° | 119.9° |
| CAG | CAI | CAR | 124.4° | 120.1° |
| CAI | CAG | HAG | 121.7° | 120.1° |
| CAG | CAI | HAI | 117.8° | 120.0° |
| CAG | CAQ | NAW | 108.6° | 120.1° |
| CAQ | CAG | HAG | 121.8° | 120.0° |
| CAH | CAR | CAI | 121.0° | 120.1° |
| CAH | CAR | SAX | 116.6° | 119.9° |
| CAR | CAH | HAH | 123.7° | 119.9° |
| CAI | CAR | SAX | 122.3° | 119.9° |
| CAR | CAI | HAI | 117.8° | 119.9° |
| CAJ | CAT | CAU | 112.0° | 119.6° |
| CAJ | CAT | CAV | 125.9° | 120.6° |
| CAT | CAJ | HAJ | 119.1° | 120.9° |
| NAM | CAK | CAS | 111.3° | 108.5° |
| CAK | NAM | NAW | 106.4° | 108.6° |
| NAM | CAK | HAK | 124.3° | 125.7° |
| CAK | CAS | CAL | 133.7° | 128.4° |
| CAK | CAS | CAV | 104.9° | 107.9° |
| CAS | CAK | HAK | 124.4° | 125.7° |
| SAO | CAL | CAS | 113.7° | 109.6° |
| CAL | SAO | CAU | 103.3° | 101.3° |
| SAO | CAL | HAL | 108.1° | 109.4° |
| SAO | CAL | HALA | 108.1° | 109.5° |
| CAL | CAS | CAV | 121.1° | 123.7° |
| CAS | CAL | HAL | 108.1° | 109.5° |
| CAS | CAL | HALA | 108.1° | 109.4° |
| NAM | NAW | CAQ | 114.5° | 126.2° |
| NAM | NAW | CAV | 112.5° | 107.5° |
| CAP | NAN | CAU | 116.7° | 122.0° |
| NAN | CAU | SAO | 110.3° | 119.5° |
| NAN | CAU | CAT | 128.4° | 119.5° |
| SAO | CAU | CAT | 121.2° | 121.0° |
| CAQ | NAW | CAV | 133.0° | 126.3° |
| CAS | CAV | CAT | 127.1° | 123.6° |
| CAS | CAV | NAW | 105.0° | 107.5° |
| CAU | CAT | CAV | 121.9° | 119.8° |
| CAT | CAV | NAW | 127.8° | 128.9° |
| HAA | CAA | HAAA | 109.5° | 109.4° |
| HAA | CAA | HAAB | 109.4° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| HNAB | NAB | HNAA | 109.5° | 120.0° |
| HAL | CAL | HALA | 110.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAP | CAE | CAJ | 179.3° | 179.2° |
| CAA | CAP | CAE | NAN | 179.9° | 180.0° |
| CAA | CAP | NAN | CAU | 179.5° | 179.7° |
| CAP | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAP | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAP | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAP | CAE | HAE | 0.7° | 1.0° |
| NAB | SAX | OAC | OAD | 126.7° | 123.0° |
| NAB | SAX | OAC | CAR | 116.5° | 114.1° |
| NAB | SAX | OAD | CAR | 119.0° | 114.1° |
| NAB | SAX | CAR | CAH | 133.8° | 90.0° |
| NAB | SAX | CAR | CAI | 50.8° | 90.0° |
| SAX | NAB | HNAB | HNAA | 120.0° | 180.0° |
| OAC | SAX | OAD | CAR | 113.4° | 122.9° |
| OAC | SAX | CAR | CAH | 107.5° | 23.6° |
| OAC | SAX | CAR | CAI | 67.8° | 156.4° |
| OAC | SAX | NAB | HNAB | 180.0° | 113.5° |
| OAC | SAX | NAB | HNAA | 60.0° | 66.5° |
| OAD | SAX | CAR | CAH | 14.0° | 156.5° |
| OAD | SAX | CAR | CAI | 170.6° | 23.5° |
| OAD | SAX | NAB | HNAB | 50.9° | 113.5° |
| OAD | SAX | NAB | HNAA | 170.9° | 66.5° |
| CAJ | CAE | CAP | HAE | 180.0° | 179.7° |
| CAE | CAJ | CAT | HAJ | 180.0° | 180.0° |
| CAJ | CAE | CAP | NAN | 0.8° | 0.8° |
| CAE | CAJ | CAT | CAU | 1.1° | 1.3° |
| CAE | CAJ | CAT | CAV | 175.7° | 177.5° |
| CAP | CAE | CAJ | CAT | 1.1° | 0.1° |
| CAE | CAP | NAN | CAU | 0.6° | 0.3° |
| CAE | CAP | CAA | HAA | 179.9° | 90.0° |
| CAE | CAP | CAA | HAAA | 59.9° | 150.0° |
| CAE | CAP | CAA | HAAB | 60.1° | 30.0° |
| CAP | CAE | CAJ | HAJ | 178.9° | 180.0° |
| CAH | CAF | CAQ | HAF | 180.0° | 179.7° |
| CAH | CAF | CAQ | CAG | 2.5° | 0.1° |
| CAF | CAH | CAR | HAH | 180.0° | 179.9° |
| CAF | CAH | CAR | CAI | 3.3° | 0.1° |
| CAH | CAF | CAQ | NAW | 171.5° | 180.0° |
| CAF | CAH | CAR | SAX | 178.7° | 179.9° |
| CAF | CAQ | CAG | CAI | 1.3° | 0.0° |
| CAF | CAQ | CAG | NAW | 175.5° | 180.0° |
| CAQ | CAF | CAH | CAR | 3.5° | 0.1° |
| CAF | CAQ | NAW | NAM | 55.4° | 134.5° |
| CAF | CAQ | NAW | CAV | 124.5° | 45.5° |
| CAF | CAQ | CAG | HAG | 178.7° | 180.0° |
| CAQ | CAF | CAH | HAH | 176.5° | 180.0° |
| CAI | CAG | CAQ | HAG | 180.0° | 180.0° |
| CAG | CAI | CAR | CAH | 2.7° | 0.0° |
| CAG | CAI | CAR | HAI | 180.0° | 180.0° |
| CAI | CAG | CAQ | NAW | 174.2° | 180.0° |
| CAG | CAI | CAR | SAX | 177.9° | 180.0° |
| CAQ | CAG | CAI | CAR | 1.6° | 0.0° |
| CAG | CAQ | NAW | NAM | 119.0° | 45.5° |
| CAG | CAQ | NAW | CAV | 61.1° | 134.5° |
| CAG | CAQ | CAF | HAF | 177.5° | 179.8° |
| CAQ | CAG | CAI | HAI | 178.4° | 180.0° |
| CAH | CAR | CAI | SAX | 175.1° | 180.0° |
| CAR | CAH | CAF | HAF | 176.6° | 179.8° |
| CAH | CAR | CAI | HAI | 177.3° | 180.0° |
| CAR | CAI | CAG | HAG | 178.4° | 180.0° |
| CAI | CAR | CAH | HAH | 176.7° | 179.9° |
| CAJ | CAT | CAU | NAN | 1.0° | 1.8° |
| CAJ | CAT | CAU | SAO | 178.3° | 177.9° |
| CAJ | CAT | CAV | CAS | 158.8° | 158.7° |
| CAJ | CAT | CAU | CAV | 174.8° | 178.8° |
| CAJ | CAT | CAV | NAW | 26.7° | 21.1° |
| CAT | CAJ | CAE | HAE | 178.8° | 179.8° |
| NAM | CAK | CAS | HAK | 180.0° | 179.9° |
| NAM | CAK | CAS | CAL | 172.9° | 179.8° |
| CAK | NAM | NAW | CAQ | 180.0° | 179.8° |
| NAM | CAK | CAS | CAV | 0.4° | 0.0° |
| CAK | NAM | NAW | CAV | 0.0° | 0.2° |
| CAK | CAS | CAL | SAO | 145.8° | 143.5° |
| CAK | CAS | CAL | CAV | 172.5° | 179.7° |
| CAS | CAK | NAM | NAW | 0.3° | 0.1° |
| CAK | CAS | CAV | CAT | 175.9° | 179.7° |
| CAK | CAS | CAV | NAW | 0.4° | 0.1° |
| CAK | CAS | CAL | HAL | 25.8° | 23.5° |
| CAK | CAS | CAL | HALA | 94.2° | 96.5° |
| SAO | CAL | CAS | HAL | 120.0° | 119.9° |
| SAO | CAL | CAS | HALA | 120.0° | 120.0° |
| CAL | SAO | CAU | NAN | 152.5° | 145.6° |
| SAO | CAL | CAS | CAV | 26.7° | 36.2° |
| CAL | SAO | CAU | CAT | 26.9° | 34.7° |
| SAO | CAL | HAL | HALA | 118.3° | 120.0° |
| CAS | CAL | SAO | CAU | 36.5° | 47.8° |
| CAL | CAS | CAV | CAT | 1.5° | 0.5° |
| CAL | CAS | CAV | NAW | 174.0° | 179.7° |
| CAL | CAS | CAK | HAK | 7.1° | 0.3° |
| CAS | CAL | HAL | HALA | 118.3° | 120.0° |
| NAM | NAW | CAQ | CAV | 179.9° | 180.0° |
| NAM | NAW | CAV | CAS | 0.3° | 0.1° |
| NAM | NAW | CAV | CAT | 175.7° | 179.7° |
| NAW | NAM | CAK | HAK | 179.7° | 180.0° |
| CAP | NAN | CAU | SAO | 178.6° | 178.7° |
| CAP | NAN | CAU | CAT | 0.7° | 1.0° |
| NAN | CAP | CAA | HAA | 0.0° | 90.0° |
| NAN | CAP | CAA | HAAA | 120.0° | 30.0° |
| NAN | CAP | CAA | HAAB | 120.0° | 150.0° |
| NAN | CAP | CAE | HAE | 179.2° | 179.0° |
| NAN | CAU | SAO | CAT | 179.4° | 179.7° |
| NAN | CAU | CAT | CAV | 175.8° | 177.0° |
| SAO | CAU | CAT | CAV | 3.5° | 3.3° |
| CAU | SAO | CAL | HAL | 156.4° | 167.8° |
| CAU | SAO | CAL | HALA | 83.5° | 72.2° |
| CAQ | NAW | CAV | CAS | 179.8° | 179.8° |
| CAQ | NAW | CAV | CAT | 4.3° | 0.4° |
| NAW | CAQ | CAF | HAF | 8.5° | 0.3° |
| NAW | CAQ | CAG | HAG | 5.7° | 0.0° |
| CAR | SAX | NAB | HNAB | 67.6° | 0.0° |
| CAR | SAX | NAB | HNAA | 52.4° | 180.0° |
| SAX | CAR | CAH | HAH | 1.3° | 0.0° |
| SAX | CAR | CAI | HAI | 2.1° | 0.1° |
| CAS | CAV | CAT | CAU | 15.3° | 20.1° |
| CAS | CAV | CAT | NAW | 174.5° | 179.8° |
| CAV | CAS | CAK | HAK | 179.6° | 179.9° |
| CAV | CAS | CAL | HAL | 146.7° | 156.2° |
| CAV | CAS | CAL | HALA | 93.3° | 83.8° |
| CAU | CAT | CAV | NAW | 159.2° | 160.1° |
| CAU | CAT | CAJ | HAJ | 178.9° | 178.7° |
| CAV | CAT | CAJ | HAJ | 4.3° | 2.5° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAE | CAE | CAJ | HAJ | 1.1° | 0.2° |
| HAF | CAF | CAH | HAH | 3.4° | 0.4° |
| HAG | CAG | CAI | HAI | 1.5° | 0.0° |
