1QZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAD | C2 | sing | 1.38Å | 1.31Å | |
| N3 | C2 | doub | 1.32Å | 1.36Å | Aromatic |
| N3 | C4 | sing | 1.32Å | 1.35Å | Aromatic |
| C2 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| CAA | CAQ | sing | 1.53Å | 1.37Å | |
| CAQ | C4 | sing | 1.51Å | 1.38Å | |
| C4 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| N1 | C6 | doub | 1.33Å | 1.33Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| C6 | NAE | sing | 1.38Å | 1.31Å | |
| C5 | CAF | sing | 1.43Å | 1.37Å | |
| CAF | CAG | trip | 1.17Å | 0.90Å | |
| CAG | CBF | sing | 1.47Å | 1.59Å | |
| CAH | CAK | doub | 1.36Å | 1.38Å | Aromatic |
| CAH | CAJ | sing | 1.39Å | 1.41Å | Aromatic |
| CAK | CBD | sing | 1.40Å | 1.41Å | Aromatic |
| CAJ | CBC | doub | 1.38Å | 1.38Å | Aromatic |
| CBD | CAM | doub | 1.41Å | 1.39Å | Aromatic |
| CBD | CBE | sing | 1.42Å | 1.43Å | Aromatic |
| CBC | CAY | sing | 1.48Å | 1.42Å | |
| CBC | CBE | sing | 1.41Å | 1.42Å | Aromatic |
| CAM | NAR | sing | 1.31Å | 1.41Å | Aromatic |
| CAN | CAY | doub | 1.39Å | 1.38Å | Aromatic |
| CAN | CAX | sing | 1.39Å | 1.37Å | Aromatic |
| CAB | OAU | sing | 1.43Å | 1.52Å | |
| CAY | CAP | sing | 1.40Å | 1.43Å | Aromatic |
| CAP | CAZ | doub | 1.38Å | 1.43Å | Aromatic |
| CBE | CAL | doub | 1.40Å | 1.39Å | Aromatic |
| CAX | OAU | sing | 1.36Å | 1.38Å | |
| CAX | CAO | doub | 1.39Å | 1.37Å | Aromatic |
| CAZ | CAO | sing | 1.38Å | 1.37Å | Aromatic |
| CAZ | CBF | sing | 1.51Å | 1.44Å | |
| CBF | CAC | sing | 1.53Å | 1.48Å | |
| NAR | CAI | doub | 1.33Å | 1.41Å | Aromatic |
| CAL | CAI | sing | 1.36Å | 1.38Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAQ | H4 | sing | 1.09Å | 1.10Å | |
| CAQ | H5 | sing | 1.09Å | 1.10Å | |
| NAD | H6 | sing | 0.97Å | 1.00Å | |
| NAD | H7 | sing | 0.97Å | 1.00Å | |
| NAE | H8 | sing | 0.97Å | 1.00Å | |
| NAE | H9 | sing | 0.97Å | 1.00Å | |
| CBF | H10 | sing | 1.09Å | 1.10Å | |
| CAC | H11 | sing | 1.09Å | 1.10Å | |
| CAC | H12 | sing | 1.09Å | 1.10Å | |
| CAC | H13 | sing | 1.09Å | 1.10Å | |
| CAP | H14 | sing | 1.08Å | 1.08Å | |
| CAO | H15 | sing | 1.08Å | 1.08Å | |
| CAN | H16 | sing | 1.08Å | 1.08Å | |
| CAL | H17 | sing | 1.08Å | 1.08Å | |
| CAI | H18 | sing | 1.08Å | 1.08Å | |
| CAM | H19 | sing | 1.08Å | 1.08Å | |
| CAK | H20 | sing | 1.08Å | 1.08Å | |
| CAH | H21 | sing | 1.08Å | 1.08Å | |
| CAJ | H22 | sing | 1.08Å | 1.08Å | |
| CAB | H23 | sing | 1.09Å | 1.10Å | |
| CAB | H24 | sing | 1.09Å | 1.10Å | |
| CAB | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAD | C2 | N3 | 119.2° | 119.0° |
| NAD | C2 | N1 | 118.7° | 119.0° |
| C2 | NAD | H6 | 109.5° | 120.0° |
| C2 | NAD | H7 | 109.5° | 120.0° |
| C2 | N3 | C4 | 120.0° | 121.1° |
| N3 | C2 | N1 | 122.1° | 122.0° |
| N3 | C4 | CAQ | 120.5° | 120.5° |
| N3 | C4 | C5 | 119.2° | 119.1° |
| C2 | N1 | C6 | 118.5° | 120.8° |
| CAA | CAQ | C4 | 96.6° | 109.5° |
| CAQ | CAA | H1 | 109.5° | 109.5° |
| CAQ | CAA | H2 | 109.5° | 109.5° |
| CAQ | CAA | H3 | 109.5° | 109.4° |
| CAA | CAQ | H4 | 112.6° | 109.4° |
| CAA | CAQ | H5 | 112.6° | 109.5° |
| CAQ | C4 | C5 | 119.7° | 120.5° |
| C4 | CAQ | H4 | 112.6° | 109.5° |
| C4 | CAQ | H5 | 112.6° | 109.5° |
| C4 | C5 | C6 | 117.3° | 118.2° |
| C4 | C5 | CAF | 123.8° | 120.9° |
| N1 | C6 | C5 | 122.3° | 118.9° |
| N1 | C6 | NAE | 118.9° | 120.6° |
| C5 | C6 | NAE | 118.7° | 120.6° |
| C6 | C5 | CAF | 118.6° | 120.9° |
| C6 | NAE | H8 | 109.5° | 120.0° |
| C6 | NAE | H9 | 109.5° | 120.0° |
| C5 | CAF | CAG | 176.0° | 180.0° |
| CAF | CAG | CBF | 177.8° | 179.9° |
| CAG | CBF | CAZ | 105.8° | 109.5° |
| CAG | CBF | CAC | 113.9° | 109.4° |
| CAG | CBF | H10 | 105.1° | 109.5° |
| CAK | CAH | CAJ | 118.3° | 121.3° |
| CAH | CAK | CBD | 117.5° | 119.9° |
| CAH | CAK | H20 | 121.2° | 120.0° |
| CAK | CAH | H21 | 120.9° | 119.3° |
| CAH | CAJ | CBC | 126.7° | 120.7° |
| CAJ | CAH | H21 | 120.8° | 119.4° |
| CAH | CAJ | H22 | 116.6° | 119.7° |
| CAK | CBD | CAM | 116.5° | 121.9° |
| CAK | CBD | CBE | 123.3° | 119.5° |
| CBD | CAK | H20 | 121.2° | 120.1° |
| CAJ | CBC | CAY | 123.6° | 120.4° |
| CAJ | CBC | CBE | 114.9° | 119.1° |
| CBC | CAJ | H22 | 116.7° | 119.6° |
| CAM | CBD | CBE | 120.2° | 118.6° |
| CBD | CAM | NAR | 119.3° | 119.8° |
| CBD | CAM | H19 | 120.3° | 120.1° |
| CBD | CBE | CBC | 119.3° | 119.5° |
| CBD | CBE | CAL | 118.0° | 118.3° |
| CAY | CBC | CBE | 121.5° | 120.5° |
| CBC | CAY | CAN | 121.1° | 120.1° |
| CBC | CAY | CAP | 122.7° | 120.1° |
| CBC | CBE | CAL | 122.7° | 122.2° |
| CAM | NAR | CAI | 120.9° | 122.8° |
| NAR | CAM | H19 | 120.3° | 120.1° |
| CAY | CAN | CAX | 125.1° | 119.8° |
| CAN | CAY | CAP | 116.1° | 119.8° |
| CAY | CAN | H16 | 117.5° | 120.1° |
| CAN | CAX | OAU | 118.6° | 120.0° |
| CAN | CAX | CAO | 117.7° | 120.0° |
| CAX | CAN | H16 | 117.4° | 120.1° |
| CAB | OAU | CAX | 118.3° | 117.0° |
| OAU | CAB | H23 | 109.5° | 109.5° |
| OAU | CAB | H24 | 109.4° | 109.5° |
| OAU | CAB | H25 | 109.5° | 109.5° |
| CAY | CAP | CAZ | 119.3° | 119.9° |
| CAY | CAP | H14 | 120.3° | 120.0° |
| CAP | CAZ | CAO | 119.4° | 120.2° |
| CAP | CAZ | CBF | 125.1° | 119.9° |
| CAZ | CAP | H14 | 120.3° | 120.1° |
| CBE | CAL | CAI | 123.3° | 118.7° |
| CBE | CAL | H17 | 118.3° | 120.6° |
| OAU | CAX | CAO | 123.7° | 120.0° |
| CAX | CAO | CAZ | 122.1° | 120.2° |
| CAX | CAO | H15 | 119.0° | 119.8° |
| CAO | CAZ | CBF | 115.4° | 119.9° |
| CAZ | CAO | H15 | 119.0° | 119.9° |
| CAZ | CBF | CAC | 118.2° | 109.5° |
| CAZ | CBF | H10 | 106.7° | 109.5° |
| CAC | CBF | H10 | 106.2° | 109.5° |
| CBF | CAC | H11 | 109.5° | 109.4° |
| CBF | CAC | H12 | 109.5° | 109.5° |
| CBF | CAC | H13 | 109.5° | 109.5° |
| NAR | CAI | CAL | 118.1° | 121.8° |
| NAR | CAI | H18 | 121.0° | 119.1° |
| CAI | CAL | H17 | 118.4° | 120.7° |
| CAL | CAI | H18 | 120.9° | 119.1° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.4° | 109.5° |
| H4 | CAQ | H5 | 109.5° | 109.5° |
| H6 | NAD | H7 | 109.5° | 120.0° |
| H8 | NAE | H9 | 109.5° | 120.0° |
| H11 | CAC | H12 | 109.5° | 109.5° |
| H11 | CAC | H13 | 109.5° | 109.4° |
| H12 | CAC | H13 | 109.5° | 109.5° |
| H23 | CAB | H24 | 109.5° | 109.5° |
| H23 | CAB | H25 | 109.5° | 109.5° |
| H24 | CAB | H25 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAD | C2 | N3 | N1 | 178.3° | 180.0° |
| NAD | C2 | N3 | C4 | 173.3° | 180.0° |
| NAD | C2 | N1 | C6 | 178.8° | 180.0° |
| C2 | NAD | H6 | H7 | 120.0° | 180.0° |
| C2 | N3 | C4 | CAQ | 179.6° | 180.0° |
| C2 | N3 | C4 | C5 | 8.9° | 0.2° |
| N3 | C2 | N1 | C6 | 0.4° | 0.0° |
| N3 | C2 | NAD | H6 | 0.0° | 0.0° |
| N3 | C2 | NAD | H7 | 120.0° | 180.0° |
| C4 | N3 | C2 | N1 | 5.1° | 0.0° |
| N3 | C4 | CAQ | CAA | 75.7° | 89.7° |
| N3 | C4 | CAQ | C5 | 171.5° | 179.7° |
| N3 | C4 | C5 | C6 | 7.3° | 0.5° |
| N3 | C4 | C5 | CAF | 178.7° | 179.7° |
| N3 | C4 | CAQ | H4 | 166.5° | 150.3° |
| N3 | C4 | CAQ | H5 | 42.1° | 30.2° |
| C2 | N1 | C6 | C5 | 1.9° | 0.2° |
| C2 | N1 | C6 | NAE | 177.8° | 180.0° |
| N1 | C2 | NAD | H6 | 178.4° | 180.0° |
| N1 | C2 | NAD | H7 | 61.6° | 0.0° |
| CAA | CAQ | C4 | H4 | 117.8° | 120.0° |
| CAA | CAQ | C4 | H5 | 117.8° | 120.0° |
| CAA | CAQ | C4 | C5 | 95.8° | 90.0° |
| CAQ | CAA | H1 | H2 | 120.0° | 120.0° |
| CAQ | CAA | H1 | H3 | 120.0° | 119.9° |
| CAQ | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAQ | H4 | H5 | 126.1° | 120.0° |
| CAQ | C4 | C5 | C6 | 178.9° | 179.8° |
| CAQ | C4 | C5 | CAF | 7.2° | 0.0° |
| C4 | CAQ | CAA | H1 | 180.0° | 180.0° |
| C4 | CAQ | CAA | H2 | 60.0° | 59.9° |
| C4 | CAQ | CAA | H3 | 60.0° | 60.0° |
| C4 | CAQ | H4 | H5 | 126.0° | 120.0° |
| C4 | C5 | C6 | N1 | 1.9° | 0.5° |
| C4 | C5 | C6 | CAF | 174.3° | 179.8° |
| C4 | C5 | C6 | NAE | 178.4° | 179.8° |
| C4 | C5 | CAF | CAG | 177.2° | 11.5° |
| C5 | C4 | CAQ | H4 | 22.1° | 30.0° |
| C5 | C4 | CAQ | H5 | 146.4° | 150.0° |
| N1 | C6 | C5 | NAE | 179.7° | 179.7° |
| N1 | C6 | C5 | CAF | 176.2° | 179.7° |
| N1 | C6 | NAE | H8 | 0.0° | 0.0° |
| N1 | C6 | NAE | H9 | 120.0° | 180.0° |
| C6 | C5 | CAF | CAG | 8.9° | 168.3° |
| C5 | C6 | NAE | H8 | 179.7° | 179.8° |
| C5 | C6 | NAE | H9 | 59.7° | 0.2° |
| NAE | C6 | C5 | CAF | 4.1° | 0.0° |
| C6 | NAE | H8 | H9 | 120.0° | 180.0° |
| C5 | CAF | CAG | CBF | 106.4° | 179.5° |
| CAF | CAG | CBF | CAZ | 42.1° | 11.0° |
| CAF | CAG | CBF | CAC | 173.6° | 131.0° |
| CAF | CAG | CBF | H10 | 70.6° | 109.0° |
| CAG | CBF | CAZ | CAP | 70.2° | 120.3° |
| CAG | CBF | CAZ | CAO | 105.5° | 60.0° |
| CAG | CBF | CAZ | CAC | 128.9° | 120.0° |
| CAG | CBF | CAZ | H10 | 111.6° | 120.0° |
| CAG | CBF | CAC | H10 | 115.2° | 120.0° |
| CAG | CBF | CAC | H11 | 180.0° | 180.0° |
| CAG | CBF | CAC | H12 | 60.0° | 60.0° |
| CAG | CBF | CAC | H13 | 60.0° | 60.0° |
| CAK | CAH | CAJ | H21 | 180.0° | 179.7° |
| CAH | CAK | CBD | H20 | 180.0° | 179.9° |
| CAK | CAH | CAJ | CBC | 3.0° | 0.5° |
| CAH | CAK | CBD | CAM | 179.4° | 179.9° |
| CAH | CAK | CBD | CBE | 0.7° | 0.1° |
| CAK | CAH | CAJ | H22 | 177.0° | 179.9° |
| CAJ | CAH | CAK | CBD | 1.0° | 0.2° |
| CAH | CAJ | CBC | H22 | 180.0° | 179.4° |
| CAH | CAJ | CBC | CAY | 174.8° | 179.8° |
| CAH | CAJ | CBC | CBE | 2.9° | 0.5° |
| CAJ | CAH | CAK | H20 | 179.0° | 179.7° |
| CAK | CBD | CAM | CBE | 178.7° | 180.0° |
| CAK | CBD | CBE | CBC | 0.7° | 0.1° |
| CAK | CBD | CAM | NAR | 178.2° | 180.0° |
| CAK | CBD | CBE | CAL | 179.3° | 180.0° |
| CAK | CBD | CAM | H19 | 1.8° | 0.1° |
| CBD | CAK | CAH | H21 | 179.0° | 179.9° |
| CAJ | CBC | CBE | CBD | 0.9° | 0.3° |
| CAJ | CBC | CAY | CBE | 177.5° | 179.7° |
| CAJ | CBC | CAY | CAN | 164.4° | 129.8° |
| CAJ | CBC | CAY | CAP | 10.9° | 49.5° |
| CAJ | CBC | CBE | CAL | 179.0° | 179.7° |
| CBC | CAJ | CAH | H21 | 177.0° | 179.8° |
| CAM | CBD | CBE | CBC | 179.4° | 180.0° |
| CBD | CAM | NAR | H19 | 180.0° | 179.9° |
| CAM | CBD | CBE | CAL | 0.7° | 0.0° |
| CBD | CAM | NAR | CAI | 0.8° | 0.0° |
| CAM | CBD | CAK | H20 | 0.6° | 0.1° |
| CBD | CBE | CBC | CAY | 176.8° | 180.0° |
| CBD | CBE | CBC | CAL | 179.9° | 179.9° |
| CBE | CBD | CAM | NAR | 0.5° | 0.0° |
| CBD | CBE | CAL | CAI | 1.8° | 0.1° |
| CBD | CBE | CAL | H17 | 178.2° | 180.0° |
| CBE | CBD | CAM | H19 | 179.5° | 179.9° |
| CBE | CBD | CAK | H20 | 179.3° | 180.0° |
| CBC | CAY | CAN | CAP | 175.6° | 179.3° |
| CBC | CAY | CAN | CAX | 178.6° | 180.0° |
| CBC | CAY | CAP | CAZ | 177.7° | 179.8° |
| CAY | CBC | CBE | CAL | 3.3° | 0.0° |
| CBC | CAY | CAP | H14 | 2.3° | 0.3° |
| CBC | CAY | CAN | H16 | 1.3° | 0.7° |
| CAY | CBC | CAJ | H22 | 5.2° | 0.4° |
| CBE | CBC | CAY | CAN | 13.1° | 49.9° |
| CBE | CBC | CAY | CAP | 171.6° | 130.8° |
| CBC | CBE | CAL | CAI | 178.3° | 180.0° |
| CBC | CBE | CAL | H17 | 1.7° | 0.1° |
| CBE | CBC | CAJ | H22 | 177.2° | 179.9° |
| CAM | NAR | CAI | CAL | 0.2° | 0.0° |
| CAM | NAR | CAI | H18 | 179.8° | 180.0° |
| CAY | CAN | CAX | H16 | 180.0° | 179.3° |
| CAN | CAY | CAP | CAZ | 6.8° | 0.5° |
| CAY | CAN | CAX | OAU | 176.5° | 179.5° |
| CAY | CAN | CAX | CAO | 2.9° | 0.4° |
| CAN | CAY | CAP | H14 | 173.1° | 179.5° |
| CAN | CAX | OAU | CAB | 3.6° | 0.1° |
| CAX | CAN | CAY | CAP | 5.8° | 0.7° |
| CAN | CAX | OAU | CAO | 179.4° | 179.9° |
| CAN | CAX | CAO | CAZ | 0.9° | 0.1° |
| CAN | CAX | CAO | H15 | 179.1° | 179.9° |
| CAB | OAU | CAX | CAO | 177.1° | 180.0° |
| OAU | CAB | H23 | H24 | 120.0° | 120.0° |
| OAU | CAB | H23 | H25 | 120.0° | 120.0° |
| OAU | CAB | H24 | H25 | 120.0° | 119.9° |
| CAY | CAP | CAZ | H14 | 180.0° | 180.0° |
| CAY | CAP | CAZ | CAO | 5.4° | 0.0° |
| CAY | CAP | CAZ | CBF | 179.1° | 179.7° |
| CAP | CAY | CAN | H16 | 174.2° | 180.0° |
| CAP | CAZ | CAO | CAX | 2.3° | 0.3° |
| CAP | CAZ | CAO | CBF | 176.0° | 179.7° |
| CAP | CAZ | CBF | CAC | 160.9° | 119.8° |
| CAP | CAZ | CBF | H10 | 41.4° | 0.3° |
| CAP | CAZ | CAO | H15 | 177.7° | 179.7° |
| CBE | CAL | CAI | NAR | 1.5° | 0.1° |
| CBE | CAL | CAI | H17 | 180.0° | 179.9° |
| CBE | CAL | CAI | H18 | 178.5° | 180.0° |
| OAU | CAX | CAO | CAZ | 178.4° | 180.0° |
| OAU | CAX | CAO | H15 | 1.6° | 0.0° |
| OAU | CAX | CAN | H16 | 3.4° | 0.2° |
| CAX | OAU | CAB | H23 | 180.0° | 60.0° |
| CAX | OAU | CAB | H24 | 60.0° | 179.9° |
| CAX | OAU | CAB | H25 | 60.0° | 60.0° |
| CAX | CAO | CAZ | H15 | 180.0° | 180.0° |
| CAX | CAO | CAZ | CBF | 178.3° | 180.0° |
| CAO | CAX | CAN | H16 | 177.2° | 179.7° |
| CAO | CAZ | CBF | CAC | 23.4° | 60.0° |
| CAO | CAZ | CBF | H10 | 142.9° | 180.0° |
| CAO | CAZ | CAP | H14 | 174.6° | 180.0° |
| CAZ | CBF | CAC | H10 | 119.7° | 120.0° |
| CAZ | CBF | CAC | H11 | 54.9° | 60.0° |
| CAZ | CBF | CAC | H12 | 175.0° | 180.0° |
| CAZ | CBF | CAC | H13 | 65.1° | 60.0° |
| CBF | CAZ | CAP | H14 | 1.0° | 0.3° |
| CBF | CAZ | CAO | H15 | 1.7° | 0.0° |
| CBF | CAC | H11 | H12 | 120.0° | 120.0° |
| CBF | CAC | H11 | H13 | 120.0° | 120.0° |
| CBF | CAC | H12 | H13 | 120.0° | 120.0° |
| NAR | CAI | CAL | H18 | 180.0° | 180.0° |
| NAR | CAI | CAL | H17 | 178.5° | 180.0° |
| CAI | NAR | CAM | H19 | 179.2° | 179.9° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAQ | H4 | 62.2° | 60.0° |
| H1 | CAA | CAQ | H5 | 62.2° | 60.0° |
| H2 | CAA | CAQ | H4 | 57.8° | 60.0° |
| H2 | CAA | CAQ | H5 | 177.8° | 180.0° |
| H3 | CAA | CAQ | H4 | 177.8° | 180.0° |
| H3 | CAA | CAQ | H5 | 57.8° | 60.0° |
| H10 | CBF | CAC | H11 | 64.8° | 60.0° |
| H10 | CBF | CAC | H12 | 55.2° | 60.0° |
| H10 | CBF | CAC | H13 | 175.2° | 180.0° |
| H11 | CAC | H12 | H13 | 120.0° | 120.0° |
| H17 | CAL | CAI | H18 | 1.5° | 0.1° |
| H20 | CAK | CAH | H21 | 1.0° | 0.0° |
| H21 | CAH | CAJ | H22 | 3.0° | 0.4° |
| H23 | CAB | H24 | H25 | 120.0° | 120.0° |
