04N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| C1 | O5 | sing | 1.43Å | 1.45Å | |
| C2 | N2 | sing | 1.47Å | 1.48Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| O4 | CBP | sing | 1.43Å | 1.47Å | |
| C5 | O5 | sing | 1.43Å | 1.47Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | O6 | sing | 1.43Å | 1.45Å | |
| O6 | CBP | sing | 1.43Å | 1.48Å | |
| CAL | CAM | doub | 1.38Å | 1.42Å | Aromatic |
| CAL | CAN | sing | 1.38Å | 1.41Å | Aromatic |
| CAM | CAO | sing | 1.38Å | 1.41Å | Aromatic |
| CAN | CAP | doub | 1.38Å | 1.42Å | Aromatic |
| CAO | CBC | doub | 1.38Å | 1.43Å | Aromatic |
| CAP | CBC | sing | 1.38Å | 1.42Å | Aromatic |
| CBC | CBP | sing | 1.51Å | 1.41Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| N2 | HN2 | sing | 1.01Å | 1.00Å | |
| N2 | HN2A | sing | 1.01Å | 1.00Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CBP | HBP | sing | 1.09Å | 1.10Å | |
| O1 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 110.1° | 109.4° |
| O1 | C1 | O5 | 110.0° | 109.4° |
| O1 | C1 | H1 | 109.2° | 109.4° |
| C1 | O1 | H7 | 109.5° | 114.0° |
| C2 | C1 | O5 | 111.0° | 110.0° |
| C1 | C2 | N2 | 111.3° | 109.4° |
| C1 | C2 | C3 | 109.9° | 109.7° |
| C2 | C1 | H1 | 107.6° | 109.4° |
| C1 | C2 | H2 | 107.8° | 109.4° |
| C1 | O5 | C5 | 112.0° | 113.3° |
| O5 | C1 | H1 | 108.9° | 109.3° |
| N2 | C2 | C3 | 110.6° | 109.4° |
| N2 | C2 | H2 | 108.8° | 109.4° |
| C2 | N2 | HN2 | 109.5° | 111.0° |
| C2 | N2 | HN2A | 109.5° | 111.0° |
| C2 | C3 | O3 | 109.8° | 109.7° |
| C2 | C3 | C4 | 109.6° | 108.4° |
| C3 | C2 | H2 | 108.4° | 109.4° |
| C2 | C3 | H3 | 108.5° | 109.6° |
| O3 | C3 | C4 | 110.9° | 109.7° |
| O3 | C3 | H3 | 109.6° | 109.7° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C4 | O4 | 110.5° | 111.1° |
| C3 | C4 | C5 | 109.2° | 108.6° |
| C4 | C3 | H3 | 108.4° | 109.8° |
| C3 | C4 | H4 | 108.6° | 109.5° |
| O4 | C4 | C5 | 110.3° | 108.6° |
| C4 | O4 | CBP | 110.4° | 113.0° |
| O4 | C4 | H4 | 109.7° | 109.5° |
| C4 | C5 | O5 | 110.7° | 108.9° |
| C4 | C5 | C6 | 108.5° | 108.4° |
| C5 | C4 | H4 | 108.5° | 109.5° |
| C4 | C5 | H5 | 108.7° | 109.5° |
| O4 | CBP | O6 | 110.6° | 110.1° |
| O4 | CBP | CBC | 109.0° | 109.4° |
| O4 | CBP | HBP | 108.6° | 109.3° |
| O5 | C5 | C6 | 110.7° | 111.2° |
| O5 | C5 | H5 | 109.5° | 109.4° |
| C5 | C6 | O6 | 109.6° | 108.3° |
| C6 | C5 | H5 | 108.8° | 109.3° |
| C5 | C6 | H6 | 109.5° | 109.7° |
| C5 | C6 | H6A | 109.5° | 109.7° |
| C6 | O6 | CBP | 110.8° | 114.4° |
| O6 | C6 | H6 | 109.4° | 109.7° |
| O6 | C6 | H6A | 109.4° | 109.7° |
| O6 | CBP | CBC | 110.4° | 109.4° |
| O6 | CBP | HBP | 108.6° | 109.4° |
| CAM | CAL | CAN | 120.2° | 120.0° |
| CAL | CAM | CAO | 120.1° | 120.0° |
| CAM | CAL | HAL | 119.9° | 120.0° |
| CAL | CAM | HAM | 119.9° | 120.0° |
| CAL | CAN | CAP | 119.8° | 120.0° |
| CAN | CAL | HAL | 119.9° | 120.0° |
| CAL | CAN | HAN | 120.1° | 120.0° |
| CAM | CAO | CBC | 119.9° | 120.0° |
| CAO | CAM | HAM | 119.9° | 120.0° |
| CAM | CAO | HAO | 120.1° | 120.0° |
| CAN | CAP | CBC | 120.2° | 120.0° |
| CAP | CAN | HAN | 120.1° | 120.0° |
| CAN | CAP | HAP | 119.9° | 120.0° |
| CAO | CBC | CAP | 119.7° | 120.0° |
| CAO | CBC | CBP | 121.1° | 120.0° |
| CBC | CAO | HAO | 120.0° | 120.1° |
| CAP | CBC | CBP | 119.2° | 120.0° |
| CBC | CAP | HAP | 119.9° | 120.0° |
| CBC | CBP | HBP | 109.5° | 109.2° |
| HN2 | N2 | HN2A | 109.4° | 111.0° |
| H6 | C6 | H6A | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O5 | 122.1° | 120.1° |
| O1 | C1 | C2 | H1 | 118.9° | 119.8° |
| O1 | C1 | O5 | H1 | 119.6° | 119.7° |
| O1 | C1 | C2 | N2 | 56.5° | 56.2° |
| O1 | C1 | C2 | C3 | 66.3° | 63.9° |
| O1 | C1 | O5 | C5 | 65.1° | 59.6° |
| O1 | C1 | C2 | H2 | 175.8° | 176.1° |
| C2 | C1 | O5 | H1 | 118.3° | 120.1° |
| C1 | C2 | N2 | C3 | 122.4° | 120.2° |
| C1 | C2 | N2 | H2 | 118.7° | 119.9° |
| C1 | C2 | C3 | H2 | 117.6° | 120.1° |
| C1 | C2 | C3 | O3 | 178.6° | 176.1° |
| C1 | C2 | C3 | C4 | 56.6° | 56.3° |
| C2 | C1 | O5 | C5 | 57.0° | 60.5° |
| C1 | C2 | N2 | HN2 | 180.0° | 60.0° |
| C1 | C2 | N2 | HN2A | 60.0° | 176.0° |
| C1 | C2 | C3 | H3 | 61.6° | 63.5° |
| C2 | C1 | O1 | H7 | 180.0° | 180.0° |
| O5 | C1 | C2 | N2 | 178.6° | 176.3° |
| O5 | C1 | C2 | C3 | 55.8° | 56.2° |
| C1 | O5 | C5 | C4 | 59.0° | 62.6° |
| C1 | O5 | C5 | C6 | 179.3° | 178.0° |
| O5 | C1 | C2 | H2 | 62.1° | 63.8° |
| C1 | O5 | C5 | H5 | 60.8° | 57.1° |
| O5 | C1 | O1 | H7 | 57.4° | 59.5° |
| N2 | C2 | C3 | H2 | 119.2° | 119.9° |
| N2 | C2 | C3 | O3 | 58.1° | 63.9° |
| N2 | C2 | C3 | C4 | 179.9° | 176.4° |
| N2 | C2 | C1 | H1 | 62.3° | 63.6° |
| C2 | N2 | HN2 | HN2A | 120.0° | 123.9° |
| N2 | C2 | C3 | H3 | 61.6° | 56.5° |
| C2 | C3 | O3 | C4 | 121.3° | 119.0° |
| C2 | C3 | O3 | H3 | 119.1° | 120.4° |
| C2 | C3 | C4 | H3 | 118.3° | 119.7° |
| C2 | C3 | C4 | O4 | 179.9° | 177.7° |
| C2 | C3 | C4 | C5 | 58.4° | 58.3° |
| C3 | C2 | C1 | H1 | 174.9° | 176.3° |
| C3 | C2 | N2 | HN2 | 57.6° | 179.8° |
| C3 | C2 | N2 | HN2A | 62.4° | 55.8° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | H4 | 59.7° | 61.3° |
| O3 | C3 | C4 | H3 | 120.3° | 120.6° |
| O3 | C3 | C4 | O4 | 58.7° | 62.6° |
| O3 | C3 | C4 | C5 | 179.8° | 178.0° |
| O3 | C3 | C2 | H2 | 61.1° | 56.0° |
| O3 | C3 | C4 | H4 | 61.7° | 58.4° |
| C3 | C4 | O4 | C5 | 120.8° | 119.4° |
| C3 | C4 | O4 | H4 | 119.7° | 121.1° |
| C3 | C4 | C5 | H4 | 118.2° | 119.5° |
| C3 | C4 | O4 | CBP | 179.9° | 178.6° |
| C3 | C4 | C5 | O5 | 59.0° | 60.5° |
| C3 | C4 | C5 | C6 | 179.4° | 178.3° |
| C4 | C3 | C2 | H2 | 60.9° | 63.7° |
| C4 | C3 | O3 | HO3 | 58.7° | 179.0° |
| C3 | C4 | C5 | H5 | 61.3° | 59.1° |
| O4 | C4 | C5 | H4 | 120.2° | 119.5° |
| O4 | C4 | C5 | O5 | 179.4° | 178.5° |
| O4 | C4 | C5 | C6 | 57.8° | 57.3° |
| C4 | O4 | CBP | O6 | 59.7° | 58.0° |
| C4 | O4 | CBP | CBC | 178.7° | 178.2° |
| O4 | C4 | C3 | H3 | 61.6° | 57.9° |
| O4 | C4 | C5 | H5 | 60.3° | 61.9° |
| C4 | O4 | CBP | HBP | 59.4° | 62.3° |
| C5 | C4 | O4 | CBP | 59.2° | 59.2° |
| C4 | C5 | O5 | C6 | 120.3° | 119.4° |
| C4 | C5 | O5 | H5 | 119.8° | 119.6° |
| C4 | C5 | C6 | H5 | 118.1° | 119.3° |
| C4 | C5 | C6 | O6 | 57.0° | 55.8° |
| C5 | C4 | C3 | H3 | 59.9° | 61.4° |
| C4 | C5 | C6 | H6 | 63.0° | 63.9° |
| C4 | C5 | C6 | H6A | 177.0° | 175.5° |
| O4 | CBP | O6 | C6 | 59.6° | 57.3° |
| O4 | CBP | O6 | CBC | 120.8° | 120.2° |
| O4 | CBP | O6 | HBP | 119.1° | 120.2° |
| O4 | CBP | CBC | CAO | 54.7° | 180.0° |
| O4 | CBP | CBC | CAP | 124.7° | 0.1° |
| O4 | CBP | CBC | HBP | 118.7° | 119.6° |
| CBP | O4 | C4 | H4 | 60.2° | 60.3° |
| O5 | C5 | C6 | H5 | 120.3° | 121.0° |
| O5 | C5 | C6 | O6 | 178.6° | 175.5° |
| C5 | O5 | C1 | H1 | 175.2° | 179.4° |
| O5 | C5 | C4 | H4 | 59.2° | 59.0° |
| O5 | C5 | C6 | H6 | 58.6° | 55.8° |
| O5 | C5 | C6 | H6A | 61.4° | 64.8° |
| C5 | C6 | O6 | H6 | 120.0° | 119.7° |
| C5 | C6 | O6 | H6A | 120.0° | 119.7° |
| C5 | C6 | O6 | CBP | 58.6° | 57.2° |
| C6 | C5 | C4 | H4 | 62.4° | 62.2° |
| C5 | C6 | H6 | H6A | 120.0° | 120.6° |
| C6 | O6 | CBP | CBC | 179.7° | 177.5° |
| O6 | C6 | C5 | H5 | 61.1° | 63.5° |
| O6 | C6 | H6 | H6A | 119.9° | 120.6° |
| C6 | O6 | CBP | HBP | 59.6° | 62.9° |
| O6 | CBP | CBC | CAO | 67.0° | 59.3° |
| O6 | CBP | CBC | CAP | 113.6° | 120.6° |
| O6 | CBP | CBC | HBP | 119.5° | 119.7° |
| CBP | O6 | C6 | H6 | 61.4° | 62.5° |
| CBP | O6 | C6 | H6A | 178.6° | 176.9° |
| CAM | CAL | CAN | HAL | 180.0° | 179.6° |
| CAL | CAM | CAO | HAM | 180.0° | 179.8° |
| CAM | CAL | CAN | CAP | 0.2° | 0.1° |
| CAL | CAM | CAO | CBC | 0.1° | 0.1° |
| CAM | CAL | CAN | HAN | 179.8° | 180.0° |
| CAL | CAM | CAO | HAO | 179.9° | 179.9° |
| CAN | CAL | CAM | CAO | 0.1° | 0.2° |
| CAL | CAN | CAP | HAN | 180.0° | 179.9° |
| CAL | CAN | CAP | CBC | 0.1° | 0.1° |
| CAN | CAL | CAM | HAM | 179.9° | 179.9° |
| CAL | CAN | CAP | HAP | 179.9° | 179.9° |
| CAM | CAO | CBC | HAO | 180.0° | 180.0° |
| CAM | CAO | CBC | CAP | 0.0° | 0.0° |
| CAM | CAO | CBC | CBP | 179.4° | 180.0° |
| CAO | CAM | CAL | HAL | 179.9° | 179.8° |
| CAN | CAP | CBC | CAO | 0.1° | 0.0° |
| CAN | CAP | CBC | HAP | 180.0° | 180.0° |
| CAN | CAP | CBC | CBP | 179.4° | 180.0° |
| CAP | CAN | CAL | HAL | 179.9° | 179.8° |
| CAO | CBC | CAP | CBP | 179.3° | 179.9° |
| CBC | CAO | CAM | HAM | 180.0° | 179.9° |
| CAO | CBC | CAP | HAP | 179.9° | 180.0° |
| CAO | CBC | CBP | HBP | 173.4° | 60.4° |
| CBC | CAP | CAN | HAN | 179.8° | 179.9° |
| CAP | CBC | CAO | HAO | 180.0° | 180.0° |
| CAP | CBC | CBP | HBP | 5.9° | 119.7° |
| CBP | CBC | CAO | HAO | 0.6° | 0.1° |
| CBP | CBC | CAP | HAP | 0.6° | 0.0° |
| H1 | C1 | C2 | H2 | 56.9° | 56.3° |
| H1 | C1 | O1 | H7 | 62.1° | 60.3° |
| H2 | C2 | N2 | HN2 | 61.4° | 59.9° |
| H2 | C2 | N2 | HN2A | 178.7° | 64.0° |
| H2 | C2 | C3 | H3 | 179.2° | 176.4° |
| H3 | C3 | O3 | HO3 | 60.9° | 60.4° |
| H3 | C3 | C4 | H4 | 178.0° | 179.0° |
| H4 | C4 | C5 | H5 | 179.5° | 178.6° |
| H5 | C5 | C6 | H6 | 178.9° | 176.8° |
| H5 | C5 | C6 | H6A | 58.9° | 56.2° |
| HAL | CAL | CAM | HAM | 0.1° | 0.4° |
| HAL | CAL | CAN | HAN | 0.2° | 0.4° |
| HAM | CAM | CAO | HAO | 0.0° | 0.2° |
| HAN | CAN | CAP | HAP | 0.2° | 0.1° |
