ENZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAH | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| CAH | CAG | sing | 1.38Å | 1.38Å | Aromatic |
| CAF | CAD | sing | 1.38Å | 1.40Å | Aromatic |
| CAG | NAE | doub | 1.32Å | 1.40Å | Aromatic |
| CAD | CAC | doub | 1.39Å | 1.39Å | Aromatic |
| NAE | CAC | sing | 1.32Å | 1.36Å | Aromatic |
| CAC | NAI | sing | 1.39Å | 1.35Å | |
| NAI | NAJ | sing | 1.36Å | 1.36Å | |
| NAI | CAK | sing | 1.35Å | 1.36Å | |
| NAJ | CAL | sing | 1.48Å | 1.33Å | |
| OAB | CAK | doub | 1.21Å | 1.37Å | |
| CAK | CAM | sing | 1.52Å | 1.37Å | |
| CAL | CAM | sing | 1.55Å | 1.31Å | |
| CAL | CAA | sing | 1.53Å | 1.53Å | |
| CAM | CAN | sing | 1.51Å | 1.35Å | |
| CAN | CAP | doub | 1.38Å | 1.40Å | Aromatic |
| CAN | CAO | sing | 1.38Å | 1.40Å | Aromatic |
| CAP | CAR | sing | 1.38Å | 1.40Å | Aromatic |
| CAO | CAQ | doub | 1.38Å | 1.41Å | Aromatic |
| CAR | CAS | doub | 1.38Å | 1.40Å | Aromatic |
| CAQ | CAS | sing | 1.38Å | 1.41Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAD | H4 | sing | 1.08Å | 1.08Å | |
| CAF | H5 | sing | 1.08Å | 1.08Å | |
| CAG | H6 | sing | 1.08Å | 1.08Å | |
| CAH | H7 | sing | 1.08Å | 1.08Å | |
| CAL | H8 | sing | 1.09Å | 1.10Å | |
| CAM | H9 | sing | 1.09Å | 1.10Å | |
| CAO | H10 | sing | 1.08Å | 1.08Å | |
| CAP | H11 | sing | 1.08Å | 1.08Å | |
| CAQ | H12 | sing | 1.08Å | 1.08Å | |
| CAR | H13 | sing | 1.08Å | 1.08Å | |
| CAS | H14 | sing | 1.08Å | 1.08Å | |
| NAJ | H15 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | CAH | CAG | 118.7° | 119.3° |
| CAH | CAF | CAD | 120.3° | 118.5° |
| CAH | CAF | H5 | 119.9° | 120.8° |
| CAF | CAH | H7 | 120.7° | 120.3° |
| CAH | CAG | NAE | 120.3° | 120.8° |
| CAH | CAG | H6 | 119.9° | 119.6° |
| CAG | CAH | H7 | 120.6° | 120.3° |
| CAF | CAD | CAC | 120.5° | 119.1° |
| CAF | CAD | H4 | 119.7° | 120.5° |
| CAD | CAF | H5 | 119.8° | 120.7° |
| CAG | NAE | CAC | 121.5° | 121.7° |
| NAE | CAG | H6 | 119.9° | 119.6° |
| CAD | CAC | NAE | 118.5° | 120.6° |
| CAD | CAC | NAI | 124.7° | 119.7° |
| CAC | CAD | H4 | 119.8° | 120.5° |
| NAE | CAC | NAI | 116.5° | 119.7° |
| CAC | NAI | NAJ | 119.7° | 123.5° |
| CAC | NAI | CAK | 134.5° | 123.5° |
| NAJ | NAI | CAK | 104.8° | 112.9° |
| NAI | NAJ | CAL | 109.2° | 107.9° |
| NAI | NAJ | H15 | 109.5° | 111.0° |
| NAI | CAK | OAB | 122.6° | 126.1° |
| NAI | CAK | CAM | 108.3° | 107.9° |
| NAJ | CAL | CAM | 109.2° | 101.9° |
| NAJ | CAL | CAA | 122.7° | 111.0° |
| NAJ | CAL | H8 | 94.0° | 111.0° |
| CAL | NAJ | H15 | 109.6° | 111.0° |
| OAB | CAK | CAM | 127.8° | 126.0° |
| CAK | CAM | CAL | 105.9° | 102.3° |
| CAK | CAM | CAN | 122.8° | 110.8° |
| CAK | CAM | H9 | 95.9° | 110.9° |
| CAM | CAL | CAA | 126.7° | 111.0° |
| CAL | CAM | CAN | 127.9° | 110.9° |
| CAM | CAL | H8 | 94.1° | 110.9° |
| CAL | CAM | H9 | 96.1° | 110.9° |
| CAL | CAA | H1 | 109.5° | 109.5° |
| CAL | CAA | H2 | 109.5° | 109.5° |
| CAL | CAA | H3 | 109.4° | 109.5° |
| CAA | CAL | H8 | 93.5° | 110.8° |
| CAM | CAN | CAP | 116.9° | 120.0° |
| CAM | CAN | CAO | 124.4° | 120.0° |
| CAN | CAM | H9 | 96.0° | 110.9° |
| CAP | CAN | CAO | 117.1° | 120.0° |
| CAN | CAP | CAR | 120.8° | 120.0° |
| CAN | CAP | H11 | 119.6° | 120.0° |
| CAN | CAO | CAQ | 122.2° | 120.0° |
| CAN | CAO | H10 | 118.9° | 120.0° |
| CAP | CAR | CAS | 121.5° | 120.0° |
| CAR | CAP | H11 | 119.6° | 120.0° |
| CAP | CAR | H13 | 119.2° | 120.0° |
| CAO | CAQ | CAS | 119.3° | 120.0° |
| CAQ | CAO | H10 | 118.9° | 120.0° |
| CAO | CAQ | H12 | 120.3° | 120.0° |
| CAR | CAS | CAQ | 118.2° | 120.0° |
| CAS | CAR | H13 | 119.2° | 120.0° |
| CAR | CAS | H14 | 120.9° | 120.0° |
| CAS | CAQ | H12 | 120.3° | 120.0° |
| CAQ | CAS | H14 | 120.9° | 120.1° |
| H1 | CAA | H2 | 109.5° | 109.4° |
| H1 | CAA | H3 | 109.5° | 109.4° |
| H2 | CAA | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | CAH | CAG | H7 | 180.0° | 179.9° |
| CAH | CAF | CAD | H5 | 180.0° | 179.9° |
| CAF | CAH | CAG | NAE | 0.2° | 0.3° |
| CAH | CAF | CAD | CAC | 3.0° | 0.1° |
| CAH | CAF | CAD | H4 | 177.0° | 180.0° |
| CAF | CAH | CAG | H6 | 179.8° | 179.7° |
| CAG | CAH | CAF | CAD | 0.4° | 0.0° |
| CAH | CAG | NAE | H6 | 180.0° | 179.4° |
| CAH | CAG | NAE | CAC | 2.8° | 0.7° |
| CAG | CAH | CAF | H5 | 179.6° | 179.9° |
| CAF | CAD | CAC | H4 | 180.0° | 179.9° |
| CAF | CAD | CAC | NAE | 5.4° | 0.2° |
| CAF | CAD | CAC | NAI | 179.3° | 180.0° |
| CAD | CAF | CAH | H7 | 179.6° | 179.9° |
| CAG | NAE | CAC | CAD | 5.3° | 0.6° |
| CAG | NAE | CAC | NAI | 179.7° | 179.7° |
| NAE | CAG | CAH | H7 | 179.7° | 179.8° |
| CAD | CAC | NAE | NAI | 174.4° | 179.7° |
| CAD | CAC | NAI | NAJ | 164.1° | 0.0° |
| CAD | CAC | NAI | CAK | 2.5° | 180.0° |
| CAC | CAD | CAF | H5 | 177.0° | 179.9° |
| NAE | CAC | NAI | NAJ | 21.9° | 179.7° |
| NAE | CAC | NAI | CAK | 171.5° | 0.3° |
| NAE | CAC | CAD | H4 | 174.6° | 179.7° |
| CAC | NAE | CAG | H6 | 177.2° | 180.0° |
| CAC | NAI | NAJ | CAK | 170.2° | 180.0° |
| CAC | NAI | NAJ | CAL | 175.0° | 161.5° |
| CAC | NAI | CAK | OAB | 11.4° | 1.9° |
| CAC | NAI | CAK | CAM | 178.8° | 178.4° |
| NAI | CAC | CAD | H4 | 0.7° | 0.0° |
| CAC | NAI | NAJ | H15 | 65.0° | 76.7° |
| NAI | NAJ | CAL | H15 | 119.9° | 121.8° |
| NAJ | NAI | CAK | OAB | 179.3° | 178.2° |
| NAJ | NAI | CAK | CAM | 13.2° | 1.6° |
| NAI | NAJ | CAL | CAM | 5.7° | 26.3° |
| NAI | NAJ | CAL | CAA | 173.1° | 144.5° |
| NAI | NAJ | CAL | H8 | 90.1° | 91.8° |
| CAK | NAI | NAJ | CAL | 4.9° | 18.5° |
| NAI | CAK | OAB | CAM | 164.9° | 179.7° |
| NAI | CAK | CAM | CAL | 16.8° | 14.8° |
| NAI | CAK | CAM | CAN | 177.7° | 133.0° |
| NAI | CAK | CAM | H9 | 81.3° | 103.4° |
| CAK | NAI | NAJ | H15 | 124.8° | 103.3° |
| NAJ | CAL | CAM | CAK | 13.7° | 24.0° |
| NAJ | CAL | CAM | CAA | 166.8° | 118.2° |
| NAJ | CAL | CAM | H8 | 95.7° | 118.2° |
| NAJ | CAL | CAA | H8 | 97.1° | 123.8° |
| NAJ | CAL | CAM | CAN | 173.2° | 142.2° |
| NAJ | CAL | CAA | H1 | 180.0° | 52.5° |
| NAJ | CAL | CAA | H2 | 60.0° | 67.5° |
| NAJ | CAL | CAA | H3 | 60.0° | 172.5° |
| NAJ | CAL | CAM | H9 | 84.3° | 94.2° |
| OAB | CAK | CAM | CAL | 176.6° | 165.4° |
| OAB | CAK | CAM | CAN | 15.7° | 47.2° |
| OAB | CAK | CAM | H9 | 85.3° | 76.4° |
| CAK | CAM | CAL | CAN | 159.6° | 118.2° |
| CAK | CAM | CAL | H9 | 97.9° | 118.2° |
| CAK | CAM | CAL | CAA | 179.5° | 142.2° |
| CAK | CAM | CAN | H9 | 101.0° | 123.6° |
| CAK | CAM | CAN | CAP | 49.2° | 121.4° |
| CAK | CAM | CAN | CAO | 145.5° | 58.3° |
| CAK | CAM | CAL | H8 | 82.1° | 94.2° |
| CAM | CAL | CAA | H8 | 97.8° | 123.7° |
| CAL | CAM | CAN | H9 | 102.6° | 123.6° |
| CAL | CAM | CAN | CAP | 154.4° | 125.7° |
| CAL | CAM | CAN | CAO | 10.9° | 54.6° |
| CAM | CAL | CAA | H1 | 14.8° | 60.0° |
| CAM | CAL | CAA | H2 | 105.2° | 180.0° |
| CAM | CAL | CAA | H3 | 134.8° | 60.0° |
| CAM | CAL | NAJ | H15 | 114.3° | 95.5° |
| CAA | CAL | CAM | CAN | 20.0° | 99.7° |
| CAL | CAA | H1 | H2 | 120.0° | 120.0° |
| CAL | CAA | H1 | H3 | 120.0° | 120.0° |
| CAL | CAA | H2 | H3 | 120.0° | 120.1° |
| CAA | CAL | CAM | H9 | 82.5° | 23.9° |
| CAA | CAL | NAJ | H15 | 53.2° | 22.7° |
| CAM | CAN | CAP | CAO | 166.4° | 179.7° |
| CAM | CAN | CAP | CAR | 175.3° | 180.0° |
| CAM | CAN | CAO | CAQ | 176.9° | 179.9° |
| CAN | CAM | CAL | H8 | 77.5° | 24.0° |
| CAM | CAN | CAO | H10 | 3.1° | 0.0° |
| CAM | CAN | CAP | H11 | 4.7° | 0.0° |
| CAN | CAP | CAR | H11 | 180.0° | 180.0° |
| CAP | CAN | CAO | CAQ | 11.6° | 0.4° |
| CAN | CAP | CAR | CAS | 3.1° | 0.0° |
| CAP | CAN | CAM | H9 | 51.8° | 2.2° |
| CAP | CAN | CAO | H10 | 168.4° | 179.7° |
| CAN | CAP | CAR | H13 | 176.9° | 180.0° |
| CAO | CAN | CAP | CAR | 8.9° | 0.3° |
| CAN | CAO | CAQ | H10 | 180.0° | 179.9° |
| CAN | CAO | CAQ | CAS | 8.3° | 0.1° |
| CAO | CAN | CAM | H9 | 113.5° | 178.1° |
| CAO | CAN | CAP | H11 | 171.1° | 179.7° |
| CAN | CAO | CAQ | H12 | 171.7° | 180.0° |
| CAP | CAR | CAS | H13 | 180.0° | 180.0° |
| CAP | CAR | CAS | CAQ | 0.5° | 0.2° |
| CAP | CAR | CAS | H14 | 179.5° | 180.0° |
| CAO | CAQ | CAS | CAR | 2.0° | 0.2° |
| CAO | CAQ | CAS | H12 | 180.0° | 179.9° |
| CAO | CAQ | CAS | H14 | 178.0° | 180.0° |
| CAR | CAS | CAQ | H14 | 180.0° | 179.8° |
| CAS | CAR | CAP | H11 | 176.9° | 179.9° |
| CAR | CAS | CAQ | H12 | 178.0° | 179.8° |
| CAS | CAQ | CAO | H10 | 171.7° | 180.0° |
| CAQ | CAS | CAR | H13 | 179.5° | 179.8° |
| H1 | CAA | H2 | H3 | 120.0° | 119.9° |
| H1 | CAA | CAL | H8 | 82.9° | 176.3° |
| H2 | CAA | CAL | H8 | 157.1° | 56.3° |
| H3 | CAA | CAL | H8 | 37.1° | 63.7° |
| H4 | CAD | CAF | H5 | 3.0° | 0.1° |
| H5 | CAF | CAH | H7 | 0.4° | 0.0° |
| H6 | CAG | CAH | H7 | 0.3° | 0.4° |
| H8 | CAL | CAM | H9 | 180.0° | 147.6° |
| H8 | CAL | NAJ | H15 | 149.9° | 146.3° |
| H10 | CAO | CAQ | H12 | 8.4° | 0.1° |
| H11 | CAP | CAR | H13 | 3.1° | 0.0° |
| H12 | CAQ | CAS | H14 | 2.1° | 0.1° |
| H13 | CAR | CAS | H14 | 0.5° | 0.1° |
