ECZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | OAB | sing | 1.43Å | 1.48Å | |
| OAB | CAC | sing | 1.36Å | 1.36Å | |
| CAC | CAH | sing | 1.40Å | 1.41Å | Aromatic |
| CAC | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAH | NAI | sing | 1.35Å | 1.37Å | |
| CAH | CAG | doub | 1.41Å | 1.41Å | Aromatic |
| NAI | CAJ | doub | 1.31Å | 1.37Å | |
| CAD | CAE | sing | 1.39Å | 1.39Å | Aromatic |
| CAE | CAF | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAG | sing | 1.39Å | 1.38Å | Aromatic |
| CAG | CAL | sing | 1.47Å | 1.40Å | |
| CAL | OAM | doub | 1.22Å | 1.25Å | |
| CAL | NAK | sing | 1.35Å | 1.39Å | |
| NAK | CAJ | sing | 1.37Å | 1.42Å | |
| CAJ | CAN | sing | 1.48Å | 1.41Å | |
| CAN | CAO | sing | 1.40Å | 1.43Å | Aromatic |
| CAN | CAS | doub | 1.40Å | 1.38Å | Aromatic |
| CAO | CAP | doub | 1.38Å | 1.39Å | Aromatic |
| CAP | CAQ | sing | 1.38Å | 1.41Å | Aromatic |
| CAQ | CAT | sing | 1.51Å | 1.44Å | |
| CAQ | CAR | doub | 1.38Å | 1.40Å | Aromatic |
| CAT | FAV | sing | 1.40Å | 1.37Å | |
| CAT | FAW | sing | 1.40Å | 1.34Å | |
| CAT | FAU | sing | 1.40Å | 1.39Å | |
| CAR | CAS | sing | 1.38Å | 1.41Å | Aromatic |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| NAK | HAK | sing | 0.97Å | 1.00Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAS | HAS | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | OAB | CAC | 114.8° | 117.0° |
| OAB | CAA | HAA1 | 109.5° | 109.5° |
| OAB | CAA | HAA2 | 109.5° | 109.4° |
| OAB | CAA | HAA3 | 109.5° | 109.5° |
| OAB | CAC | CAH | 114.4° | 120.2° |
| OAB | CAC | CAD | 124.8° | 120.2° |
| CAH | CAC | CAD | 120.8° | 119.6° |
| CAC | CAH | NAI | 117.7° | 121.5° |
| CAC | CAH | CAG | 119.6° | 119.2° |
| CAC | CAD | CAE | 118.8° | 120.7° |
| CAC | CAD | HAD | 120.7° | 119.6° |
| NAI | CAH | CAG | 122.5° | 119.2° |
| CAH | NAI | CAJ | 118.9° | 121.7° |
| CAH | CAG | CAF | 119.0° | 120.1° |
| CAH | CAG | CAL | 119.6° | 118.1° |
| NAI | CAJ | NAK | 119.0° | 123.1° |
| NAI | CAJ | CAN | 120.8° | 118.4° |
| CAD | CAE | CAF | 120.8° | 120.7° |
| CAE | CAD | HAD | 120.6° | 119.6° |
| CAD | CAE | HAE | 119.6° | 119.6° |
| CAE | CAF | CAG | 120.9° | 119.6° |
| CAF | CAE | HAE | 119.6° | 119.7° |
| CAE | CAF | HAF | 119.6° | 120.2° |
| CAF | CAG | CAL | 121.3° | 121.8° |
| CAG | CAF | HAF | 119.5° | 120.2° |
| CAG | CAL | OAM | 124.2° | 121.3° |
| CAG | CAL | NAK | 116.3° | 117.5° |
| OAM | CAL | NAK | 119.5° | 121.2° |
| CAL | NAK | CAJ | 123.4° | 120.3° |
| CAL | NAK | HAK | 118.3° | 119.8° |
| NAK | CAJ | CAN | 120.2° | 118.5° |
| CAJ | NAK | HAK | 118.3° | 119.9° |
| CAJ | CAN | CAO | 122.0° | 120.2° |
| CAJ | CAN | CAS | 120.1° | 120.1° |
| CAO | CAN | CAS | 117.6° | 119.7° |
| CAN | CAO | CAP | 121.5° | 119.9° |
| CAN | CAO | HAO | 119.3° | 120.1° |
| CAN | CAS | CAR | 120.8° | 119.9° |
| CAN | CAS | HAS | 119.6° | 120.0° |
| CAO | CAP | CAQ | 120.5° | 120.1° |
| CAP | CAO | HAO | 119.2° | 120.1° |
| CAO | CAP | HAP | 119.7° | 119.9° |
| CAP | CAQ | CAT | 121.0° | 119.8° |
| CAP | CAQ | CAR | 117.8° | 120.3° |
| CAQ | CAP | HAP | 119.8° | 120.0° |
| CAT | CAQ | CAR | 121.2° | 119.9° |
| CAQ | CAT | FAV | 110.0° | 109.5° |
| CAQ | CAT | FAW | 111.9° | 109.5° |
| CAQ | CAT | FAU | 111.7° | 109.5° |
| CAQ | CAR | CAS | 121.6° | 120.1° |
| CAQ | CAR | HAR | 119.2° | 119.9° |
| FAV | CAT | FAW | 107.5° | 109.5° |
| FAV | CAT | FAU | 109.7° | 109.4° |
| FAW | CAT | FAU | 105.9° | 109.5° |
| CAR | CAS | HAS | 119.6° | 120.1° |
| CAS | CAR | HAR | 119.2° | 120.0° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.5° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | OAB | CAC | CAH | 168.3° | 180.0° |
| CAA | OAB | CAC | CAD | 11.8° | 0.2° |
| OAB | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| OAB | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| OAB | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| OAB | CAC | CAH | CAD | 179.9° | 179.8° |
| OAB | CAC | CAH | NAI | 2.1° | 0.1° |
| OAB | CAC | CAH | CAG | 178.5° | 180.0° |
| OAB | CAC | CAD | CAE | 178.3° | 180.0° |
| CAC | OAB | CAA | HAA1 | 180.0° | 60.0° |
| CAC | OAB | CAA | HAA2 | 60.0° | 60.0° |
| CAC | OAB | CAA | HAA3 | 60.0° | 179.9° |
| OAB | CAC | CAD | HAD | 1.7° | 0.1° |
| CAC | CAH | NAI | CAG | 176.3° | 179.9° |
| CAC | CAH | NAI | CAJ | 179.7° | 180.0° |
| CAH | CAC | CAD | CAE | 1.6° | 0.2° |
| CAC | CAH | CAG | CAF | 1.8° | 0.0° |
| CAC | CAH | CAG | CAL | 178.1° | 179.9° |
| CAH | CAC | CAD | HAD | 178.4° | 179.7° |
| CAD | CAC | CAH | NAI | 177.8° | 179.7° |
| CAD | CAC | CAH | CAG | 1.4° | 0.2° |
| CAC | CAD | CAE | HAD | 180.0° | 179.9° |
| CAC | CAD | CAE | CAF | 2.2° | 0.0° |
| CAC | CAD | CAE | HAE | 177.7° | 179.9° |
| NAI | CAH | CAG | CAF | 178.1° | 179.9° |
| NAI | CAH | CAG | CAL | 5.6° | 0.0° |
| CAH | NAI | CAJ | NAK | 2.3° | 0.0° |
| CAH | NAI | CAJ | CAN | 178.8° | 180.0° |
| CAG | CAH | NAI | CAJ | 4.0° | 0.1° |
| CAH | CAG | CAF | CAE | 2.5° | 0.2° |
| CAH | CAG | CAF | CAL | 176.2° | 179.9° |
| CAH | CAG | CAL | OAM | 177.2° | 179.9° |
| CAH | CAG | CAL | NAK | 5.3° | 0.0° |
| CAH | CAG | CAF | HAF | 177.5° | 179.9° |
| NAI | CAJ | NAK | CAL | 2.4° | 0.0° |
| NAI | CAJ | NAK | CAN | 176.5° | 180.0° |
| NAI | CAJ | CAN | CAO | 164.0° | 0.0° |
| NAI | CAJ | CAN | CAS | 9.5° | 179.7° |
| NAI | CAJ | NAK | HAK | 177.6° | 180.0° |
| CAD | CAE | CAF | HAE | 180.0° | 179.9° |
| CAD | CAE | CAF | CAG | 2.7° | 0.2° |
| CAD | CAE | CAF | HAF | 177.3° | 179.9° |
| CAE | CAF | CAG | HAF | 180.0° | 179.7° |
| CAE | CAF | CAG | CAL | 178.7° | 179.7° |
| CAF | CAE | CAD | HAD | 177.8° | 179.9° |
| CAF | CAG | CAL | OAM | 0.9° | 0.2° |
| CAF | CAG | CAL | NAK | 178.5° | 179.9° |
| CAG | CAF | CAE | HAE | 177.3° | 179.7° |
| CAG | CAL | OAM | NAK | 177.5° | 179.9° |
| CAG | CAL | NAK | CAJ | 3.9° | 0.0° |
| CAL | CAG | CAF | HAF | 1.3° | 0.0° |
| CAG | CAL | NAK | HAK | 176.1° | 180.0° |
| OAM | CAL | NAK | CAJ | 178.4° | 179.9° |
| OAM | CAL | NAK | HAK | 1.5° | 0.1° |
| CAL | NAK | CAJ | HAK | 180.0° | 180.0° |
| CAL | NAK | CAJ | CAN | 178.9° | 180.0° |
| NAK | CAJ | CAN | CAO | 12.4° | 180.0° |
| NAK | CAJ | CAN | CAS | 174.0° | 0.3° |
| CAJ | CAN | CAO | CAS | 173.7° | 179.7° |
| CAJ | CAN | CAO | CAP | 177.6° | 180.0° |
| CAJ | CAN | CAS | CAR | 178.2° | 179.8° |
| CAN | CAJ | NAK | HAK | 1.1° | 0.0° |
| CAJ | CAN | CAO | HAO | 2.4° | 0.1° |
| CAJ | CAN | CAS | HAS | 1.8° | 0.0° |
| CAN | CAO | CAP | HAO | 180.0° | 179.9° |
| CAN | CAO | CAP | CAQ | 2.2° | 0.0° |
| CAO | CAN | CAS | CAR | 4.4° | 0.5° |
| CAO | CAN | CAS | HAS | 175.6° | 179.7° |
| CAN | CAO | CAP | HAP | 177.8° | 180.0° |
| CAS | CAN | CAO | CAP | 3.9° | 0.3° |
| CAN | CAS | CAR | CAQ | 3.3° | 0.5° |
| CAN | CAS | CAR | HAS | 180.0° | 179.8° |
| CAS | CAN | CAO | HAO | 176.1° | 179.8° |
| CAN | CAS | CAR | HAR | 176.6° | 179.7° |
| CAO | CAP | CAQ | HAP | 180.0° | 180.0° |
| CAO | CAP | CAQ | CAT | 179.8° | 180.0° |
| CAO | CAP | CAQ | CAR | 1.0° | 0.0° |
| CAP | CAQ | CAT | CAR | 179.2° | 179.9° |
| CAP | CAQ | CAT | FAV | 47.5° | 90.0° |
| CAP | CAQ | CAT | FAW | 166.9° | 150.0° |
| CAP | CAQ | CAT | FAU | 74.6° | 30.0° |
| CAP | CAQ | CAR | CAS | 1.5° | 0.2° |
| CAQ | CAP | CAO | HAO | 177.8° | 179.9° |
| CAP | CAQ | CAR | HAR | 178.5° | 180.0° |
| CAQ | CAT | FAV | FAW | 122.0° | 120.0° |
| CAQ | CAT | FAV | FAU | 123.3° | 120.0° |
| CAQ | CAT | FAW | FAU | 121.9° | 120.0° |
| CAT | CAQ | CAR | CAS | 179.3° | 179.7° |
| CAT | CAQ | CAP | HAP | 0.2° | 0.0° |
| CAT | CAQ | CAR | HAR | 0.7° | 0.1° |
| CAR | CAQ | CAT | FAV | 133.3° | 89.9° |
| CAR | CAQ | CAT | FAW | 13.9° | 30.1° |
| CAR | CAQ | CAT | FAU | 104.6° | 150.1° |
| CAQ | CAR | CAS | HAR | 180.0° | 179.8° |
| CAQ | CAR | CAS | HAS | 176.7° | 179.7° |
| CAR | CAQ | CAP | HAP | 179.0° | 180.0° |
| FAV | CAT | FAW | FAU | 117.2° | 119.9° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAD | CAD | CAE | HAE | 2.2° | 0.0° |
| HAE | CAE | CAF | HAF | 2.7° | 0.0° |
| HAO | CAO | CAP | HAP | 2.2° | 0.1° |
| HAS | CAS | CAR | HAR | 3.3° | 0.1° |
