7ZZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | C2 | sing | 1.74Å | 1.70Å | |
| FBA | CAY | sing | 1.40Å | 1.35Å | |
| CAY | FAZ | sing | 1.40Å | 1.28Å | |
| CAY | OAW | sing | 1.43Å | 1.44Å | |
| C2 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| OAW | CAN | sing | 1.36Å | 1.37Å | |
| N3 | C4 | doub | 1.33Å | 1.35Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.33Å | |
| C6 | C5 | doub | 1.40Å | 1.34Å | Aromatic |
| CAN | CAM | doub | 1.39Å | 1.39Å | Aromatic |
| CAN | CAO | sing | 1.39Å | 1.39Å | Aromatic |
| CAM | CAL | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.34Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.33Å | Aromatic |
| CAO | CAP | doub | 1.39Å | 1.39Å | Aromatic |
| CAL | CAK | sing | 1.51Å | 1.40Å | |
| CAL | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| N9 | CAK | sing | 1.47Å | 1.49Å | |
| N9 | C8 | sing | 1.36Å | 1.33Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.33Å | Aromatic |
| CAP | CAQ | sing | 1.39Å | 1.40Å | Aromatic |
| CAP | OAR | sing | 1.36Å | 1.36Å | |
| OAR | CAS | sing | 1.43Å | 1.44Å | |
| FAV | CAT | sing | 1.40Å | 1.37Å | |
| CAS | CAT | sing | 1.53Å | 1.52Å | |
| CAT | FAU | sing | 1.40Å | 1.38Å | |
| CAT | H1 | sing | 1.09Å | 1.10Å | |
| CAS | H2 | sing | 1.09Å | 1.10Å | |
| CAS | H3 | sing | 1.09Å | 1.10Å | |
| CAQ | H4 | sing | 1.08Å | 1.08Å | |
| CAO | H5 | sing | 1.08Å | 1.08Å | |
| CAY | H6 | sing | 1.09Å | 1.10Å | |
| CAM | H7 | sing | 1.08Å | 1.08Å | |
| CAK | H8 | sing | 1.09Å | 1.10Å | |
| CAK | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| N6 | H11 | sing | 0.97Å | 1.00Å | |
| N6 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL2 | C2 | N1 | 121.3° | 118.8° |
| CL2 | C2 | N3 | 119.0° | 118.8° |
| FBA | CAY | FAZ | 109.3° | 109.5° |
| FBA | CAY | OAW | 110.7° | 109.4° |
| FBA | CAY | H6 | 108.8° | 109.5° |
| FAZ | CAY | OAW | 110.6° | 109.5° |
| FAZ | CAY | H6 | 109.8° | 109.5° |
| CAY | OAW | CAN | 119.5° | 117.0° |
| OAW | CAY | H6 | 107.6° | 109.4° |
| N1 | C2 | N3 | 119.7° | 122.4° |
| C2 | N1 | C6 | 119.2° | 121.2° |
| C2 | N3 | C4 | 120.3° | 120.6° |
| N1 | C6 | N6 | 122.1° | 120.8° |
| N1 | C6 | C5 | 121.3° | 118.5° |
| OAW | CAN | CAM | 121.5° | 120.0° |
| OAW | CAN | CAO | 119.2° | 120.0° |
| N3 | C4 | C5 | 120.3° | 119.1° |
| N3 | C4 | N9 | 131.6° | 134.9° |
| N6 | C6 | C5 | 116.6° | 120.7° |
| C6 | N6 | H11 | 109.5° | 120.0° |
| C6 | N6 | H12 | 109.4° | 120.0° |
| C6 | C5 | C4 | 119.2° | 118.2° |
| C6 | C5 | N7 | 132.9° | 134.7° |
| CAM | CAN | CAO | 119.3° | 120.0° |
| CAN | CAM | CAL | 121.0° | 120.0° |
| CAN | CAM | H7 | 119.5° | 120.0° |
| CAN | CAO | CAP | 120.2° | 119.9° |
| CAN | CAO | H5 | 119.9° | 120.0° |
| CAM | CAL | CAK | 121.6° | 120.0° |
| CAM | CAL | CAQ | 119.1° | 120.1° |
| CAL | CAM | H7 | 119.5° | 120.0° |
| C5 | C4 | N9 | 108.2° | 106.0° |
| C4 | C5 | N7 | 107.9° | 107.2° |
| C4 | N9 | CAK | 125.9° | 126.3° |
| C4 | N9 | C8 | 107.6° | 107.4° |
| C5 | N7 | C8 | 107.8° | 109.4° |
| CAO | CAP | CAQ | 120.1° | 120.0° |
| CAO | CAP | OAR | 119.3° | 120.0° |
| CAP | CAO | H5 | 119.9° | 120.1° |
| CAK | CAL | CAQ | 119.3° | 119.9° |
| CAL | CAK | N9 | 112.2° | 109.5° |
| CAL | CAK | H8 | 108.8° | 109.5° |
| CAL | CAK | H9 | 108.8° | 109.5° |
| CAL | CAQ | CAP | 120.3° | 120.1° |
| CAL | CAQ | H4 | 119.9° | 120.0° |
| CAK | N9 | C8 | 126.5° | 126.3° |
| N9 | CAK | H8 | 108.8° | 109.4° |
| N9 | CAK | H9 | 108.8° | 109.5° |
| N9 | C8 | N7 | 108.5° | 110.0° |
| N9 | C8 | H10 | 125.7° | 125.0° |
| N7 | C8 | H10 | 125.7° | 125.0° |
| CAQ | CAP | OAR | 120.6° | 120.0° |
| CAP | CAQ | H4 | 119.8° | 120.0° |
| CAP | OAR | CAS | 110.8° | 117.0° |
| OAR | CAS | CAT | 109.5° | 109.5° |
| OAR | CAS | H2 | 109.5° | 109.5° |
| OAR | CAS | H3 | 109.5° | 109.5° |
| FAV | CAT | CAS | 109.0° | 109.5° |
| FAV | CAT | FAU | 110.1° | 109.5° |
| FAV | CAT | H1 | 110.5° | 109.4° |
| CAS | CAT | FAU | 108.6° | 109.5° |
| CAS | CAT | H1 | 108.4° | 109.5° |
| CAT | CAS | H2 | 109.5° | 109.5° |
| CAT | CAS | H3 | 109.5° | 109.5° |
| FAU | CAT | H1 | 110.3° | 109.5° |
| H2 | CAS | H3 | 109.5° | 109.4° |
| H8 | CAK | H9 | 109.5° | 109.5° |
| H11 | N6 | H12 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL2 | C2 | N1 | N3 | 179.8° | 179.7° |
| CL2 | C2 | N1 | C6 | 179.6° | 179.7° |
| CL2 | C2 | N3 | C4 | 179.8° | 179.7° |
| FBA | CAY | FAZ | OAW | 122.0° | 120.0° |
| FBA | CAY | FAZ | H6 | 119.3° | 120.0° |
| FBA | CAY | OAW | H6 | 118.8° | 120.0° |
| FBA | CAY | OAW | CAN | 83.1° | 60.0° |
| FAZ | CAY | OAW | H6 | 120.0° | 120.0° |
| FAZ | CAY | OAW | CAN | 38.2° | 60.0° |
| CAY | OAW | CAN | CAM | 63.6° | 180.0° |
| CAY | OAW | CAN | CAO | 118.1° | 0.3° |
| N1 | C2 | N3 | C4 | 0.4° | 0.0° |
| C2 | N1 | C6 | N6 | 179.8° | 180.0° |
| C2 | N1 | C6 | C5 | 0.4° | 0.0° |
| N3 | C2 | N1 | C6 | 0.1° | 0.0° |
| C2 | N3 | C4 | C5 | 0.7° | 0.0° |
| C2 | N3 | C4 | N9 | 179.8° | 180.0° |
| N1 | C6 | N6 | C5 | 179.4° | 180.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.0° |
| N1 | C6 | C5 | N7 | 179.7° | 180.0° |
| N1 | C6 | N6 | H11 | 0.0° | 180.0° |
| N1 | C6 | N6 | H12 | 120.0° | 0.1° |
| OAW | CAN | CAM | CAO | 178.3° | 179.7° |
| OAW | CAN | CAM | CAL | 179.4° | 180.0° |
| OAW | CAN | CAO | CAP | 179.2° | 179.7° |
| OAW | CAN | CAO | H5 | 0.8° | 0.4° |
| CAN | OAW | CAY | H6 | 158.1° | 180.0° |
| OAW | CAN | CAM | H7 | 0.6° | 0.3° |
| N3 | C4 | C5 | C6 | 0.4° | 0.0° |
| N3 | C4 | C5 | N9 | 179.7° | 180.0° |
| N3 | C4 | C5 | N7 | 179.8° | 180.0° |
| N3 | C4 | N9 | CAK | 0.3° | 0.0° |
| N3 | C4 | N9 | C8 | 179.5° | 180.0° |
| N6 | C6 | C5 | C4 | 179.6° | 179.9° |
| N6 | C6 | C5 | N7 | 0.2° | 0.0° |
| C6 | N6 | H11 | H12 | 120.0° | 179.8° |
| C6 | C5 | C4 | N7 | 179.8° | 179.9° |
| C6 | C5 | C4 | N9 | 179.9° | 180.0° |
| C6 | C5 | N7 | C8 | 180.0° | 179.9° |
| C5 | C6 | N6 | H11 | 179.4° | 0.1° |
| C5 | C6 | N6 | H12 | 59.5° | 179.9° |
| CAN | CAM | CAL | H7 | 180.0° | 179.7° |
| CAM | CAN | CAO | CAP | 0.8° | 0.1° |
| CAN | CAM | CAL | CAK | 179.9° | 180.0° |
| CAN | CAM | CAL | CAQ | 0.7° | 0.5° |
| CAM | CAN | CAO | H5 | 179.2° | 180.0° |
| CAO | CAN | CAM | CAL | 1.1° | 0.3° |
| CAN | CAO | CAP | H5 | 180.0° | 179.9° |
| CAN | CAO | CAP | CAQ | 0.2° | 0.0° |
| CAN | CAO | CAP | OAR | 179.8° | 179.8° |
| CAO | CAN | CAM | H7 | 178.9° | 179.9° |
| CAM | CAL | CAK | CAQ | 179.4° | 179.4° |
| CAM | CAL | CAK | N9 | 97.7° | 90.0° |
| CAM | CAL | CAQ | CAP | 0.1° | 0.5° |
| CAM | CAL | CAQ | H4 | 179.9° | 179.5° |
| CAM | CAL | CAK | H8 | 141.9° | 30.0° |
| CAM | CAL | CAK | H9 | 22.8° | 150.0° |
| C5 | C4 | N9 | CAK | 179.4° | 180.0° |
| C5 | C4 | N9 | C8 | 0.1° | 0.1° |
| C4 | C5 | N7 | C8 | 0.2° | 0.0° |
| N9 | C4 | C5 | N7 | 0.1° | 0.0° |
| C4 | N9 | CAK | CAL | 62.0° | 85.0° |
| C4 | N9 | CAK | C8 | 179.1° | 179.9° |
| C4 | N9 | C8 | N7 | 0.2° | 0.0° |
| C4 | N9 | CAK | H8 | 177.7° | 155.0° |
| C4 | N9 | CAK | H9 | 58.4° | 35.0° |
| C4 | N9 | C8 | H10 | 179.8° | 180.0° |
| C5 | N7 | C8 | N9 | 0.3° | 0.0° |
| C5 | N7 | C8 | H10 | 179.7° | 179.9° |
| CAO | CAP | CAQ | CAL | 0.1° | 0.3° |
| CAO | CAP | CAQ | OAR | 180.0° | 179.7° |
| CAO | CAP | OAR | CAS | 117.9° | 0.2° |
| CAO | CAP | CAQ | H4 | 179.9° | 179.7° |
| CAL | CAK | N9 | H8 | 120.4° | 120.0° |
| CAL | CAK | N9 | H9 | 120.4° | 120.0° |
| CAL | CAK | N9 | C8 | 118.9° | 94.9° |
| CAK | CAL | CAQ | CAP | 179.5° | 180.0° |
| CAK | CAL | CAQ | H4 | 0.5° | 0.0° |
| CAK | CAL | CAM | H7 | 0.1° | 0.3° |
| CAL | CAK | H8 | H9 | 118.8° | 120.1° |
| CAQ | CAL | CAK | N9 | 83.0° | 90.6° |
| CAL | CAQ | CAP | H4 | 180.0° | 180.0° |
| CAL | CAQ | CAP | OAR | 179.9° | 180.0° |
| CAQ | CAL | CAM | H7 | 179.3° | 179.7° |
| CAQ | CAL | CAK | H8 | 37.4° | 149.5° |
| CAQ | CAL | CAK | H9 | 156.6° | 29.4° |
| CAK | N9 | C8 | N7 | 179.5° | 180.0° |
| N9 | CAK | H8 | H9 | 118.8° | 120.0° |
| CAK | N9 | C8 | H10 | 0.5° | 0.1° |
| N9 | C8 | N7 | H10 | 180.0° | 179.9° |
| C8 | N9 | CAK | H8 | 1.5° | 25.1° |
| C8 | N9 | CAK | H9 | 120.7° | 145.0° |
| CAQ | CAP | OAR | CAS | 62.1° | 180.0° |
| CAQ | CAP | CAO | H5 | 179.8° | 180.0° |
| CAP | OAR | CAS | CAT | 156.1° | 180.0° |
| CAP | OAR | CAS | H2 | 36.1° | 59.9° |
| CAP | OAR | CAS | H3 | 83.9° | 60.0° |
| OAR | CAP | CAQ | H4 | 0.1° | 0.0° |
| OAR | CAP | CAO | H5 | 0.2° | 0.3° |
| OAR | CAS | CAT | FAV | 42.8° | 60.0° |
| OAR | CAS | CAT | H2 | 120.0° | 120.1° |
| OAR | CAS | CAT | H3 | 120.0° | 120.0° |
| OAR | CAS | CAT | FAU | 162.8° | 60.0° |
| OAR | CAS | CAT | H1 | 77.4° | 180.0° |
| OAR | CAS | H2 | H3 | 120.0° | 120.0° |
| FAV | CAT | CAS | FAU | 120.0° | 120.0° |
| FAV | CAT | CAS | H1 | 120.3° | 120.0° |
| FAV | CAT | FAU | H1 | 122.2° | 120.0° |
| FAV | CAT | CAS | H2 | 77.2° | 180.0° |
| FAV | CAT | CAS | H3 | 162.8° | 60.0° |
| CAS | CAT | FAU | H1 | 118.6° | 120.0° |
| CAT | CAS | H2 | H3 | 120.0° | 120.0° |
| FAU | CAT | CAS | H2 | 42.8° | 60.0° |
| FAU | CAT | CAS | H3 | 77.2° | 180.0° |
| H1 | CAT | CAS | H2 | 162.6° | 60.0° |
| H1 | CAT | CAS | H3 | 42.6° | 60.0° |
