JZZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C3 | sing | 1.38Å | 1.32Å | |
| N2 | C6 | sing | 1.35Å | 1.32Å | |
| N2 | CAN | sing | 1.40Å | 1.33Å | |
| C3 | O3 | sing | 1.36Å | 1.36Å | |
| C3 | N4 | doub | 1.30Å | 1.33Å | |
| O3 | C27 | sing | 1.43Å | 1.43Å | |
| N4 | N5 | sing | 1.40Å | 1.24Å | |
| N5 | C6 | sing | 1.35Å | 1.33Å | |
| N5 | C7 | sing | 1.46Å | 1.48Å | |
| C6 | O6 | doub | 1.22Å | 1.23Å | |
| CAA | CAH | sing | 1.53Å | 1.53Å | |
| CAB | CAC | doub | 1.36Å | 1.39Å | Aromatic |
| CAB | CAK | sing | 1.41Å | 1.39Å | Aromatic |
| CAC | CAD | sing | 1.41Å | 1.39Å | Aromatic |
| CAD | CAE | doub | 1.40Å | 1.39Å | Aromatic |
| CAD | CAM | sing | 1.42Å | 1.39Å | Aromatic |
| CAE | CAF | sing | 1.36Å | 1.39Å | Aromatic |
| CAF | CAO | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | CAH | sing | 1.53Å | 1.53Å | |
| CAH | CAI | sing | 1.47Å | 1.47Å | |
| CAH | CAP | sing | 1.53Å | 1.53Å | |
| CAI | CAJ | trip | 1.17Å | 1.22Å | |
| CAJ | CAK | sing | 1.43Å | 1.43Å | |
| CAK | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CAM | sing | 1.40Å | 1.39Å | Aromatic |
| CAM | CAN | doub | 1.41Å | 1.39Å | Aromatic |
| CAN | CAO | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAG | HAGA | sing | 1.09Å | 1.10Å | |
| CAG | HAGB | sing | 1.09Å | 1.10Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAP | HAPA | sing | 1.09Å | 1.10Å | |
| CAP | HAPB | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | N2 | C6 | 105.6° | 108.3° |
| C3 | N2 | CAN | 127.5° | 125.8° |
| N2 | C3 | O3 | 125.1° | 125.6° |
| N2 | C3 | N4 | 108.8° | 108.7° |
| C6 | N2 | CAN | 126.9° | 125.9° |
| N2 | C6 | N5 | 107.4° | 107.6° |
| N2 | C6 | O6 | 126.2° | 126.2° |
| N2 | CAN | CAM | 118.9° | 120.3° |
| N2 | CAN | CAO | 121.1° | 120.3° |
| O3 | C3 | N4 | 126.0° | 125.7° |
| C3 | O3 | C27 | 109.6° | 117.0° |
| C3 | N4 | N5 | 107.7° | 108.1° |
| O3 | C27 | H27 | 109.5° | 109.4° |
| O3 | C27 | H27A | 109.5° | 109.5° |
| O3 | C27 | H27B | 109.4° | 109.5° |
| N4 | N5 | C6 | 110.5° | 107.4° |
| N4 | N5 | C7 | 124.7° | 126.3° |
| C6 | N5 | C7 | 124.8° | 126.3° |
| N5 | C6 | O6 | 126.4° | 126.2° |
| N5 | C7 | H7 | 109.5° | 109.5° |
| N5 | C7 | H7A | 109.5° | 109.5° |
| N5 | C7 | H7B | 109.5° | 109.5° |
| CAA | CAH | CAG | 110.0° | 109.5° |
| CAA | CAH | CAI | 108.4° | 109.5° |
| CAA | CAH | CAP | 110.9° | 109.4° |
| CAH | CAA | HAA | 109.5° | 109.5° |
| CAH | CAA | HAAA | 109.5° | 109.5° |
| CAH | CAA | HAAB | 109.5° | 109.5° |
| CAC | CAB | CAK | 120.0° | 120.8° |
| CAB | CAC | CAD | 120.1° | 120.0° |
| CAC | CAB | HAB | 120.0° | 119.5° |
| CAB | CAC | HAC | 120.0° | 120.0° |
| CAB | CAK | CAJ | 121.0° | 119.8° |
| CAB | CAK | CAL | 120.2° | 120.5° |
| CAK | CAB | HAB | 120.0° | 119.6° |
| CAC | CAD | CAE | 120.5° | 121.0° |
| CAC | CAD | CAM | 119.6° | 119.6° |
| CAD | CAC | HAC | 120.0° | 120.0° |
| CAE | CAD | CAM | 119.9° | 119.4° |
| CAD | CAE | CAF | 120.2° | 120.0° |
| CAD | CAE | HAE | 119.9° | 120.0° |
| CAD | CAM | CAL | 120.6° | 119.6° |
| CAD | CAM | CAN | 120.1° | 119.3° |
| CAE | CAF | CAO | 119.8° | 121.1° |
| CAF | CAE | HAE | 119.9° | 120.0° |
| CAE | CAF | HAF | 120.1° | 119.5° |
| CAF | CAO | CAN | 120.2° | 120.7° |
| CAO | CAF | HAF | 120.1° | 119.4° |
| CAF | CAO | HAO | 119.9° | 119.6° |
| CAG | CAH | CAI | 108.6° | 109.5° |
| CAG | CAH | CAP | 110.3° | 109.5° |
| CAH | CAG | HAG | 109.5° | 109.5° |
| CAH | CAG | HAGA | 109.5° | 109.5° |
| CAH | CAG | HAGB | 109.5° | 109.5° |
| CAI | CAH | CAP | 108.7° | 109.5° |
| CAH | CAI | CAJ | 178.9° | 180.0° |
| CAH | CAP | HAP | 109.5° | 109.5° |
| CAH | CAP | HAPA | 109.5° | 109.5° |
| CAH | CAP | HAPB | 109.5° | 109.5° |
| CAI | CAJ | CAK | 178.6° | 180.0° |
| CAJ | CAK | CAL | 118.8° | 119.7° |
| CAK | CAL | CAM | 119.5° | 119.4° |
| CAK | CAL | HAL | 120.2° | 120.3° |
| CAL | CAM | CAN | 119.2° | 121.1° |
| CAM | CAL | HAL | 120.2° | 120.2° |
| CAM | CAN | CAO | 119.8° | 119.4° |
| CAN | CAO | HAO | 119.9° | 119.7° |
| H7 | C7 | H7A | 109.4° | 109.5° |
| H7 | C7 | H7B | 109.5° | 109.5° |
| H7A | C7 | H7B | 109.5° | 109.4° |
| H27 | C27 | H27A | 109.4° | 109.5° |
| H27 | C27 | H27B | 109.5° | 109.4° |
| H27A | C27 | H27B | 109.5° | 109.5° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.4° | 109.4° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| HAG | CAG | HAGA | 109.5° | 109.5° |
| HAG | CAG | HAGB | 109.5° | 109.4° |
| HAGA | CAG | HAGB | 109.5° | 109.5° |
| HAP | CAP | HAPA | 109.4° | 109.5° |
| HAP | CAP | HAPB | 109.5° | 109.4° |
| HAPA | CAP | HAPB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | N2 | C6 | CAN | 179.2° | 179.8° |
| N2 | C3 | O3 | N4 | 177.9° | 179.9° |
| N2 | C3 | O3 | C27 | 151.6° | 180.0° |
| N2 | C3 | N4 | N5 | 0.3° | 0.1° |
| C3 | N2 | C6 | N5 | 0.3° | 0.1° |
| C3 | N2 | C6 | O6 | 178.1° | 180.0° |
| C3 | N2 | CAN | CAM | 97.1° | 90.0° |
| C3 | N2 | CAN | CAO | 88.1° | 90.0° |
| C6 | N2 | C3 | O3 | 177.9° | 180.0° |
| C6 | N2 | C3 | N4 | 0.3° | 0.1° |
| N2 | C6 | N5 | N4 | 0.1° | 0.0° |
| N2 | C6 | N5 | O6 | 178.3° | 180.0° |
| N2 | C6 | N5 | C7 | 180.0° | 180.0° |
| C6 | N2 | CAN | CAM | 82.0° | 89.7° |
| C6 | N2 | CAN | CAO | 92.8° | 90.3° |
| CAN | N2 | C3 | O3 | 1.3° | 0.2° |
| CAN | N2 | C3 | N4 | 179.6° | 179.7° |
| CAN | N2 | C6 | N5 | 179.5° | 179.7° |
| CAN | N2 | C6 | O6 | 1.2° | 0.3° |
| N2 | CAN | CAM | CAD | 173.9° | 180.0° |
| N2 | CAN | CAO | CAF | 174.0° | 180.0° |
| N2 | CAN | CAM | CAL | 4.6° | 0.0° |
| N2 | CAN | CAM | CAO | 174.8° | 180.0° |
| N2 | CAN | CAO | HAO | 6.0° | 0.0° |
| O3 | C3 | N4 | N5 | 177.9° | 179.9° |
| C3 | O3 | C27 | H27 | 180.0° | 60.0° |
| C3 | O3 | C27 | H27A | 60.0° | 60.0° |
| C3 | O3 | C27 | H27B | 60.0° | 180.0° |
| N4 | C3 | O3 | C27 | 30.5° | 0.1° |
| C3 | N4 | N5 | C6 | 0.1° | 0.0° |
| C3 | N4 | N5 | C7 | 179.8° | 179.9° |
| O3 | C27 | H27 | H27A | 120.0° | 120.0° |
| O3 | C27 | H27 | H27B | 120.0° | 120.0° |
| O3 | C27 | H27A | H27B | 120.0° | 120.0° |
| N4 | N5 | C6 | C7 | 179.8° | 179.9° |
| N4 | N5 | C6 | O6 | 178.2° | 180.0° |
| N4 | N5 | C7 | H7 | 0.0° | 0.0° |
| N4 | N5 | C7 | H7A | 120.0° | 120.1° |
| N4 | N5 | C7 | H7B | 120.0° | 120.0° |
| C6 | N5 | C7 | H7 | 179.8° | 179.9° |
| C6 | N5 | C7 | H7A | 59.8° | 60.0° |
| C6 | N5 | C7 | H7B | 60.2° | 59.9° |
| C7 | N5 | C6 | O6 | 1.6° | 0.1° |
| N5 | C7 | H7 | H7A | 120.0° | 120.0° |
| N5 | C7 | H7 | H7B | 120.0° | 120.0° |
| N5 | C7 | H7A | H7B | 120.0° | 120.0° |
| CAA | CAH | CAG | CAI | 118.4° | 120.0° |
| CAA | CAH | CAG | CAP | 122.6° | 120.0° |
| CAA | CAH | CAI | CAP | 120.6° | 120.0° |
| CAA | CAH | CAI | CAJ | 12.4° | 36.0° |
| CAH | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAH | CAA | HAA | HAAB | 120.0° | 119.9° |
| CAH | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAH | CAG | HAG | 180.0° | 60.0° |
| CAA | CAH | CAG | HAGA | 60.0° | 179.9° |
| CAA | CAH | CAG | HAGB | 60.0° | 60.0° |
| CAA | CAH | CAP | HAP | 180.0° | 60.0° |
| CAA | CAH | CAP | HAPA | 60.0° | 180.0° |
| CAA | CAH | CAP | HAPB | 60.0° | 60.0° |
| CAC | CAB | CAK | HAB | 180.0° | 179.7° |
| CAB | CAC | CAD | HAC | 180.0° | 180.0° |
| CAB | CAC | CAD | CAE | 178.7° | 179.9° |
| CAB | CAC | CAD | CAM | 0.0° | 0.0° |
| CAC | CAB | CAK | CAJ | 178.8° | 180.0° |
| CAC | CAB | CAK | CAL | 0.0° | 0.0° |
| CAK | CAB | CAC | CAD | 0.1° | 0.0° |
| CAB | CAK | CAJ | CAI | 173.1° | 21.5° |
| CAB | CAK | CAJ | CAL | 178.8° | 180.0° |
| CAB | CAK | CAL | CAM | 0.2° | 0.0° |
| CAK | CAB | CAC | HAC | 179.9° | 180.0° |
| CAB | CAK | CAL | HAL | 179.8° | 180.0° |
| CAC | CAD | CAE | CAM | 178.7° | 179.9° |
| CAC | CAD | CAE | CAF | 178.8° | 180.0° |
| CAC | CAD | CAM | CAL | 0.3° | 0.0° |
| CAC | CAD | CAM | CAN | 178.2° | 180.0° |
| CAD | CAC | CAB | HAB | 179.9° | 179.7° |
| CAC | CAD | CAE | HAE | 1.2° | 0.1° |
| CAD | CAE | CAF | HAE | 180.0° | 179.9° |
| CAD | CAE | CAF | CAO | 0.3° | 0.1° |
| CAE | CAD | CAM | CAL | 179.0° | 179.9° |
| CAE | CAD | CAM | CAN | 0.6° | 0.1° |
| CAE | CAD | CAC | HAC | 1.3° | 0.0° |
| CAD | CAE | CAF | HAF | 179.7° | 179.9° |
| CAM | CAD | CAE | CAF | 0.1° | 0.1° |
| CAD | CAM | CAL | CAK | 0.4° | 0.0° |
| CAD | CAM | CAL | CAN | 178.5° | 180.0° |
| CAD | CAM | CAN | CAO | 1.0° | 0.0° |
| CAM | CAD | CAC | HAC | 180.0° | 180.0° |
| CAM | CAD | CAE | HAE | 179.9° | 180.0° |
| CAD | CAM | CAL | HAL | 179.6° | 179.9° |
| CAE | CAF | CAO | HAF | 180.0° | 180.0° |
| CAE | CAF | CAO | CAN | 0.1° | 0.1° |
| CAE | CAF | CAO | HAO | 179.9° | 180.0° |
| CAF | CAO | CAN | CAM | 0.7° | 0.0° |
| CAF | CAO | CAN | HAO | 180.0° | 179.9° |
| CAO | CAF | CAE | HAE | 179.7° | 180.0° |
| CAG | CAH | CAI | CAP | 120.0° | 120.0° |
| CAG | CAH | CAI | CAJ | 107.0° | 156.0° |
| CAG | CAH | CAA | HAA | 180.0° | 60.0° |
| CAG | CAH | CAA | HAAA | 60.0° | 180.0° |
| CAG | CAH | CAA | HAAB | 60.0° | 59.9° |
| CAH | CAG | HAG | HAGA | 120.0° | 120.0° |
| CAH | CAG | HAG | HAGB | 120.0° | 120.0° |
| CAH | CAG | HAGA | HAGB | 120.0° | 120.0° |
| CAG | CAH | CAP | HAP | 57.9° | 60.0° |
| CAG | CAH | CAP | HAPA | 62.1° | 60.0° |
| CAG | CAH | CAP | HAPB | 177.9° | 180.0° |
| CAH | CAI | CAJ | CAK | 6.5° | 122.5° |
| CAI | CAH | CAA | HAA | 61.4° | 180.0° |
| CAI | CAH | CAA | HAAA | 178.6° | 60.0° |
| CAI | CAH | CAA | HAAB | 58.5° | 60.0° |
| CAI | CAH | CAG | HAG | 61.6° | 60.0° |
| CAI | CAH | CAG | HAGA | 58.4° | 60.1° |
| CAI | CAH | CAG | HAGB | 178.4° | 180.0° |
| CAI | CAH | CAP | HAP | 61.0° | 180.0° |
| CAI | CAH | CAP | HAPA | 179.0° | 60.0° |
| CAI | CAH | CAP | HAPB | 59.0° | 60.0° |
| CAP | CAH | CAI | CAJ | 133.0° | 84.0° |
| CAP | CAH | CAA | HAA | 57.8° | 60.0° |
| CAP | CAH | CAA | HAAA | 62.2° | 60.0° |
| CAP | CAH | CAA | HAAB | 177.7° | 179.9° |
| CAP | CAH | CAG | HAG | 57.4° | 180.0° |
| CAP | CAH | CAG | HAGA | 177.4° | 60.0° |
| CAP | CAH | CAG | HAGB | 62.6° | 60.0° |
| CAH | CAP | HAP | HAPA | 120.0° | 120.0° |
| CAH | CAP | HAP | HAPB | 120.0° | 120.0° |
| CAH | CAP | HAPA | HAPB | 120.0° | 120.0° |
| CAI | CAJ | CAK | CAL | 8.2° | 158.5° |
| CAJ | CAK | CAL | CAM | 178.5° | 180.0° |
| CAJ | CAK | CAB | HAB | 1.2° | 0.3° |
| CAJ | CAK | CAL | HAL | 1.4° | 0.0° |
| CAK | CAL | CAM | HAL | 180.0° | 179.9° |
| CAK | CAL | CAM | CAN | 178.1° | 180.0° |
| CAL | CAK | CAB | HAB | 179.9° | 179.7° |
| CAL | CAM | CAN | CAO | 179.5° | 180.0° |
| CAN | CAM | CAL | HAL | 1.9° | 0.1° |
| CAM | CAN | CAO | HAO | 179.3° | 180.0° |
| CAN | CAO | CAF | HAF | 179.9° | 180.0° |
| H7 | C7 | H7A | H7B | 120.0° | 120.0° |
| H27 | C27 | H27A | H27B | 120.0° | 120.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAB | CAB | CAC | HAC | 0.2° | 0.2° |
| HAE | CAE | CAF | HAF | 0.3° | 0.0° |
| HAF | CAF | CAO | HAO | 0.1° | 0.0° |
| HAG | CAG | HAGA | HAGB | 120.0° | 120.0° |
| HAP | CAP | HAPA | HAPB | 120.0° | 119.9° |
