47N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAG | CAB | sing | 1.43Å | 1.43Å | |
| CAB | CAC | sing | 1.54Å | 1.54Å | |
| CAB | CAA | sing | 1.53Å | 1.53Å | |
| CAC | CAD | sing | 1.55Å | 1.52Å | |
| CAC | OAH | sing | 1.44Å | 1.50Å | |
| CAD | OAI | sing | 1.43Å | 1.47Å | |
| CAD | CAE | sing | 1.56Å | 1.53Å | |
| OAH | CAF | sing | 1.43Å | 1.45Å | |
| CAF | CAE | sing | 1.55Å | 1.55Å | |
| CAE | OAJ | sing | 1.44Å | 1.47Å | |
| OAJ | CAA | sing | 1.43Å | 1.48Å | |
| CAA | O3 | sing | 1.43Å | 1.47Å | |
| O3 | C3 | sing | 1.43Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C4 | O4 | sing | 1.43Å | 1.46Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C5 | O5 | sing | 1.43Å | 1.47Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| O5 | C1 | sing | 1.43Å | 1.50Å | |
| C1 | O1 | sing | 1.43Å | 1.40Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| OAG | HAG | sing | 0.97Å | 0.95Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| OAI | HAI | sing | 0.97Å | 0.95Å | |
| CAE | HAE | sing | 1.09Å | 1.10Å | |
| CAF | HAF1 | sing | 1.09Å | 1.10Å | |
| CAF | HAF2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O4 | HA | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| O6 | H6 | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | HB | sing | 0.97Å | 0.95Å | |
| O2 | HC | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAG | CAB | CAC | 111.1° | 109.6° |
| OAG | CAB | CAA | 107.3° | 109.6° |
| CAB | OAG | HAG | 109.5° | 114.0° |
| OAG | CAB | HAB | 108.9° | 109.6° |
| CAC | CAB | CAA | 114.1° | 108.7° |
| CAB | CAC | CAD | 107.8° | 106.0° |
| CAB | CAC | OAH | 114.5° | 107.0° |
| CAC | CAB | HAB | 107.6° | 109.6° |
| CAB | CAC | HAC | 110.5° | 112.7° |
| CAB | CAA | OAJ | 109.1° | 110.4° |
| CAB | CAA | O3 | 110.9° | 109.3° |
| CAA | CAB | HAB | 107.7° | 109.7° |
| CAB | CAA | HAA | 107.2° | 109.3° |
| CAD | CAC | OAH | 101.6° | 104.2° |
| CAC | CAD | OAI | 108.8° | 111.4° |
| CAC | CAD | CAE | 98.5° | 99.3° |
| CAD | CAC | HAC | 110.8° | 112.8° |
| CAC | CAD | HAD | 112.5° | 111.4° |
| CAC | OAH | CAF | 106.8° | 109.4° |
| OAH | CAC | HAC | 111.2° | 113.4° |
| OAI | CAD | CAE | 110.5° | 111.4° |
| OAI | CAD | HAD | 113.4° | 111.2° |
| CAD | OAI | HAI | 109.5° | 114.0° |
| CAD | CAE | CAF | 102.2° | 101.6° |
| CAD | CAE | OAJ | 112.3° | 105.9° |
| CAE | CAD | HAD | 112.3° | 111.5° |
| CAD | CAE | HAE | 112.3° | 113.6° |
| OAH | CAF | CAE | 105.6° | 107.2° |
| OAH | CAF | HAF1 | 110.4° | 109.9° |
| OAH | CAF | HAF2 | 110.4° | 109.9° |
| CAF | CAE | OAJ | 103.8° | 106.8° |
| CAF | CAE | HAE | 112.0° | 113.6° |
| CAE | CAF | HAF1 | 110.4° | 109.9° |
| CAE | CAF | HAF2 | 110.4° | 109.9° |
| CAE | OAJ | CAA | 114.8° | 113.2° |
| OAJ | CAE | HAE | 113.3° | 114.2° |
| OAJ | CAA | O3 | 113.4° | 109.3° |
| OAJ | CAA | HAA | 107.9° | 109.3° |
| CAA | O3 | C3 | 113.1° | 114.0° |
| O3 | CAA | HAA | 108.0° | 109.2° |
| O3 | C3 | C4 | 110.9° | 109.5° |
| O3 | C3 | C2 | 110.9° | 109.5° |
| O3 | C3 | H3 | 109.6° | 109.5° |
| C4 | C3 | C2 | 108.0° | 109.0° |
| C3 | C4 | O4 | 109.9° | 109.6° |
| C3 | C4 | C5 | 109.5° | 109.2° |
| C4 | C3 | H3 | 108.5° | 109.6° |
| C3 | C4 | H4 | 108.6° | 109.5° |
| C3 | C2 | C1 | 110.0° | 109.2° |
| C3 | C2 | O2 | 108.1° | 109.5° |
| C2 | C3 | H3 | 108.8° | 109.7° |
| C3 | C2 | H2 | 108.8° | 109.6° |
| O4 | C4 | C5 | 110.5° | 109.5° |
| O4 | C4 | H4 | 109.7° | 109.5° |
| C4 | O4 | HA | 109.5° | 114.0° |
| C4 | C5 | C6 | 111.7° | 109.5° |
| C4 | C5 | O5 | 114.4° | 109.4° |
| C5 | C4 | H4 | 108.7° | 109.6° |
| C4 | C5 | H5 | 107.6° | 109.5° |
| C6 | C5 | O5 | 107.0° | 109.5° |
| C5 | C6 | O6 | 105.1° | 109.4° |
| C6 | C5 | H5 | 107.5° | 109.5° |
| C5 | C6 | H61C | 110.6° | 109.5° |
| C5 | C6 | H62C | 110.5° | 109.4° |
| C5 | O5 | C1 | 108.5° | 114.1° |
| O5 | C5 | H5 | 108.5° | 109.5° |
| O6 | C6 | H61C | 110.6° | 109.5° |
| O6 | C6 | H62C | 110.6° | 109.5° |
| C6 | O6 | H6 | 109.5° | 113.9° |
| O5 | C1 | O1 | 107.7° | 109.5° |
| O5 | C1 | C2 | 110.9° | 109.4° |
| O5 | C1 | H1 | 110.3° | 109.5° |
| O1 | C1 | C2 | 106.2° | 109.5° |
| O1 | C1 | H1 | 111.9° | 109.5° |
| C1 | O1 | HB | 109.5° | 114.0° |
| C1 | C2 | O2 | 111.2° | 109.5° |
| C1 | C2 | H2 | 108.6° | 109.5° |
| C2 | C1 | H1 | 109.7° | 109.5° |
| O2 | C2 | H2 | 110.1° | 109.5° |
| C2 | O2 | HC | 109.5° | 114.0° |
| HAF1 | CAF | HAF2 | 109.5° | 110.0° |
| H61C | C6 | H62C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAG | CAB | CAC | CAA | 121.5° | 119.8° |
| OAG | CAB | CAC | HAB | 119.1° | 120.3° |
| OAG | CAB | CAA | HAB | 117.1° | 120.4° |
| OAG | CAB | CAC | CAD | 100.6° | 56.9° |
| OAG | CAB | CAC | OAH | 147.2° | 167.7° |
| OAG | CAB | CAA | OAJ | 163.0° | 67.9° |
| OAG | CAB | CAA | O3 | 37.4° | 52.4° |
| OAG | CAB | CAC | HAC | 20.7° | 66.9° |
| OAG | CAB | CAA | HAA | 80.4° | 171.8° |
| CAC | CAB | CAA | HAB | 119.3° | 119.8° |
| CAB | CAC | CAD | OAH | 120.7° | 112.8° |
| CAB | CAC | CAD | HAC | 121.1° | 123.8° |
| CAB | CAC | OAH | HAC | 126.2° | 125.0° |
| CAB | CAC | CAD | OAI | 173.3° | 171.0° |
| CAB | CAC | CAD | CAE | 71.6° | 71.5° |
| CAB | CAC | OAH | CAF | 79.4° | 83.9° |
| CAC | CAB | CAA | OAJ | 39.4° | 51.9° |
| CAC | CAB | CAA | O3 | 86.2° | 172.2° |
| CAC | CAB | OAG | HAG | 180.0° | 180.0° |
| CAC | CAB | CAA | HAA | 156.0° | 68.4° |
| CAB | CAC | CAD | HAD | 46.9° | 46.1° |
| CAA | CAB | CAC | CAD | 20.9° | 62.9° |
| CAA | CAB | CAC | OAH | 91.3° | 47.9° |
| CAB | CAA | OAJ | CAE | 46.6° | 55.8° |
| CAB | CAA | OAJ | O3 | 124.2° | 120.3° |
| CAB | CAA | OAJ | HAA | 116.2° | 120.3° |
| CAB | CAA | O3 | HAA | 117.2° | 119.5° |
| CAB | CAA | O3 | C3 | 153.9° | 175.0° |
| CAA | CAB | OAG | HAG | 54.6° | 60.8° |
| CAA | CAB | CAC | HAC | 142.2° | 173.3° |
| CAD | CAC | OAH | HAC | 117.9° | 123.0° |
| CAC | CAD | OAI | CAE | 107.0° | 110.0° |
| CAC | CAD | OAI | HAD | 125.9° | 125.0° |
| CAC | CAD | CAE | HAD | 118.6° | 117.6° |
| CAD | CAC | OAH | CAF | 36.5° | 28.1° |
| CAC | CAD | CAE | CAF | 43.6° | 38.4° |
| CAC | CAD | CAE | OAJ | 67.0° | 73.0° |
| CAD | CAC | CAB | HAB | 140.3° | 177.2° |
| CAC | CAD | OAI | HAI | 180.0° | 180.0° |
| CAC | CAD | CAE | HAE | 163.9° | 160.8° |
| OAH | CAC | CAD | OAI | 66.0° | 76.2° |
| OAH | CAC | CAD | CAE | 49.1° | 41.3° |
| CAC | OAH | CAF | CAE | 8.3° | 2.5° |
| OAH | CAC | CAB | HAB | 28.1° | 72.0° |
| OAH | CAC | CAD | HAD | 167.5° | 158.9° |
| CAC | OAH | CAF | HAF1 | 111.1° | 116.9° |
| CAC | OAH | CAF | HAF2 | 127.7° | 121.9° |
| OAI | CAD | CAE | HAD | 127.6° | 124.9° |
| OAI | CAD | CAE | CAF | 70.1° | 79.1° |
| OAI | CAD | CAE | OAJ | 179.2° | 169.4° |
| OAI | CAD | CAC | HAC | 52.2° | 47.2° |
| OAI | CAD | CAE | HAE | 50.1° | 43.3° |
| CAD | CAE | CAF | OAH | 22.7° | 23.8° |
| CAD | CAE | CAF | OAJ | 116.9° | 110.8° |
| CAD | CAE | CAF | HAE | 120.4° | 122.5° |
| CAD | CAE | OAJ | HAE | 128.6° | 125.8° |
| CAD | CAE | OAJ | CAA | 7.6° | 68.2° |
| CAE | CAD | CAC | HAC | 167.3° | 164.7° |
| CAE | CAD | OAI | HAI | 73.0° | 70.1° |
| CAD | CAE | CAF | HAF1 | 142.1° | 143.2° |
| CAD | CAE | CAF | HAF2 | 96.7° | 95.6° |
| OAH | CAF | CAE | HAF1 | 119.4° | 119.4° |
| OAH | CAF | CAE | HAF2 | 119.4° | 119.4° |
| OAH | CAF | CAE | OAJ | 94.3° | 87.0° |
| CAF | OAH | CAC | HAC | 154.5° | 151.1° |
| OAH | CAF | CAE | HAE | 143.1° | 146.2° |
| OAH | CAF | HAF1 | HAF2 | 121.8° | 121.2° |
| CAF | CAE | OAJ | HAE | 121.8° | 126.5° |
| CAF | CAE | OAJ | CAA | 102.0° | 39.5° |
| CAF | CAE | CAD | HAD | 162.2° | 156.0° |
| CAE | CAF | HAF1 | HAF2 | 121.8° | 121.1° |
| CAE | OAJ | CAA | O3 | 77.6° | 176.1° |
| CAE | OAJ | CAA | HAA | 162.8° | 64.5° |
| OAJ | CAE | CAD | HAD | 51.6° | 44.5° |
| OAJ | CAE | CAF | HAF1 | 25.1° | 32.4° |
| OAJ | CAE | CAF | HAF2 | 146.3° | 153.6° |
| OAJ | CAA | O3 | HAA | 119.5° | 119.5° |
| OAJ | CAA | O3 | C3 | 30.7° | 64.0° |
| OAJ | CAA | CAB | HAB | 79.9° | 171.7° |
| CAA | OAJ | CAE | HAE | 136.2° | 166.0° |
| CAA | O3 | C3 | C4 | 147.8° | 150.0° |
| CAA | O3 | C3 | C2 | 92.2° | 90.4° |
| O3 | CAA | CAB | HAB | 154.5° | 68.0° |
| CAA | O3 | C3 | H3 | 28.0° | 29.9° |
| O3 | C3 | C4 | C2 | 121.8° | 119.8° |
| O3 | C3 | C4 | H3 | 120.4° | 120.1° |
| O3 | C3 | C2 | H3 | 120.6° | 120.2° |
| O3 | C3 | C4 | O4 | 55.9° | 56.9° |
| O3 | C3 | C4 | C5 | 177.5° | 176.9° |
| O3 | C3 | C2 | C1 | 179.2° | 176.9° |
| O3 | C3 | C2 | O2 | 57.5° | 63.2° |
| C3 | O3 | CAA | HAA | 88.9° | 55.5° |
| O3 | C3 | C4 | H4 | 64.0° | 63.2° |
| O3 | C3 | C2 | H2 | 62.0° | 56.9° |
| C4 | C3 | C2 | H3 | 117.6° | 120.0° |
| C3 | C4 | O4 | C5 | 121.0° | 119.7° |
| C3 | C4 | O4 | H4 | 119.3° | 120.1° |
| C3 | C4 | C5 | H4 | 118.4° | 119.9° |
| C3 | C4 | C5 | C6 | 178.7° | 177.6° |
| C3 | C4 | C5 | O5 | 57.0° | 57.7° |
| C4 | C3 | C2 | C1 | 59.0° | 57.0° |
| C4 | C3 | C2 | O2 | 179.3° | 176.9° |
| C4 | C3 | C2 | H2 | 59.8° | 62.9° |
| C3 | C4 | O4 | HA | 180.0° | 180.0° |
| C3 | C4 | C5 | H5 | 63.6° | 62.3° |
| C2 | C3 | C4 | O4 | 65.8° | 62.9° |
| C2 | C3 | C4 | C5 | 55.7° | 57.0° |
| C3 | C2 | C1 | O5 | 61.5° | 57.6° |
| C3 | C2 | C1 | O1 | 178.2° | 177.6° |
| C3 | C2 | C1 | O2 | 119.8° | 119.9° |
| C3 | C2 | C1 | H2 | 119.0° | 120.0° |
| C3 | C2 | O2 | H2 | 118.8° | 120.2° |
| C2 | C3 | C4 | H4 | 174.2° | 177.0° |
| C3 | C2 | C1 | H1 | 60.6° | 62.3° |
| C3 | C2 | O2 | HC | 180.0° | 180.0° |
| O4 | C4 | C5 | H4 | 120.3° | 120.2° |
| O4 | C4 | C5 | C6 | 57.4° | 57.7° |
| O4 | C4 | C5 | O5 | 64.2° | 62.3° |
| O4 | C4 | C3 | H3 | 176.4° | 177.1° |
| O4 | C4 | C5 | H5 | 175.1° | 177.7° |
| C4 | C5 | C6 | O5 | 125.9° | 119.9° |
| C4 | C5 | C6 | H5 | 117.8° | 120.0° |
| C4 | C5 | O5 | H5 | 120.1° | 120.0° |
| C4 | C5 | C6 | O6 | 177.4° | 175.0° |
| C4 | C5 | O5 | C1 | 57.1° | 61.2° |
| C5 | C4 | C3 | H3 | 62.1° | 63.0° |
| C5 | C4 | O4 | HA | 59.0° | 60.3° |
| C4 | C5 | C6 | H61C | 58.1° | 55.0° |
| C4 | C5 | C6 | H62C | 63.3° | 65.0° |
| C6 | C5 | O5 | H5 | 115.7° | 120.1° |
| C5 | C6 | O6 | H61C | 119.3° | 120.0° |
| C5 | C6 | O6 | H62C | 119.3° | 119.9° |
| C6 | C5 | O5 | C1 | 178.7° | 178.8° |
| C6 | C5 | C4 | H4 | 62.9° | 62.5° |
| C5 | C6 | H61C | H62C | 122.0° | 120.0° |
| C5 | C6 | O6 | H6 | 180.0° | 180.0° |
| O5 | C5 | C6 | O6 | 56.7° | 65.1° |
| C5 | O5 | C1 | O1 | 173.9° | 178.8° |
| C5 | O5 | C1 | C2 | 58.2° | 61.2° |
| O5 | C5 | C4 | H4 | 175.4° | 177.5° |
| O5 | C5 | C6 | H61C | 176.0° | 174.9° |
| O5 | C5 | C6 | H62C | 62.6° | 54.9° |
| C5 | O5 | C1 | H1 | 63.6° | 58.8° |
| O6 | C6 | C5 | H5 | 59.6° | 55.0° |
| O6 | C6 | H61C | H62C | 122.0° | 120.0° |
| O5 | C1 | O1 | C2 | 118.9° | 119.9° |
| O5 | C1 | O1 | H1 | 121.4° | 120.0° |
| O5 | C1 | C2 | H1 | 122.2° | 119.9° |
| O5 | C1 | C2 | O2 | 178.7° | 177.5° |
| O5 | C1 | C2 | H2 | 57.4° | 62.4° |
| C1 | O5 | C5 | H5 | 63.0° | 58.8° |
| O5 | C1 | O1 | HB | 180.0° | 60.0° |
| O1 | C1 | C2 | H1 | 121.1° | 120.1° |
| O1 | C1 | C2 | O2 | 62.0° | 62.5° |
| O1 | C1 | C2 | H2 | 59.3° | 57.6° |
| C1 | C2 | O2 | H2 | 120.4° | 120.1° |
| C1 | C2 | C3 | H3 | 58.5° | 63.0° |
| C2 | C1 | O1 | HB | 61.1° | 180.0° |
| C1 | C2 | O2 | HC | 59.1° | 60.3° |
| O2 | C2 | C3 | H3 | 63.1° | 57.0° |
| O2 | C2 | C1 | H1 | 59.2° | 57.6° |
| HAG | OAG | CAB | HAB | 61.7° | 59.7° |
| HAB | CAB | CAC | HAC | 98.4° | 53.4° |
| HAB | CAB | CAA | HAA | 36.7° | 51.4° |
| HAC | CAC | CAD | HAD | 74.3° | 77.7° |
| HAD | CAD | OAI | HAI | 54.0° | 55.0° |
| HAD | CAD | CAE | HAE | 77.5° | 81.6° |
| HAE | CAE | CAF | HAF1 | 97.5° | 94.4° |
| HAE | CAE | CAF | HAF2 | 23.7° | 26.8° |
| H3 | C3 | C4 | H4 | 56.4° | 56.9° |
| H3 | C3 | C2 | H2 | 177.4° | 177.1° |
| H4 | C4 | O4 | HA | 60.7° | 59.9° |
| H4 | C4 | C5 | H5 | 54.8° | 57.5° |
| H2 | C2 | C1 | H1 | 179.6° | 177.7° |
| H2 | C2 | O2 | HC | 61.2° | 59.9° |
| H5 | C5 | C6 | H61C | 59.7° | 65.1° |
| H5 | C5 | C6 | H62C | 178.9° | 174.9° |
| H61C | C6 | O6 | H6 | 60.7° | 60.0° |
| H62C | C6 | O6 | H6 | 60.7° | 60.0° |
| H1 | C1 | O1 | HB | 58.6° | 60.0° |
