NMN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3P | P | doub | 1.48Å | 1.50Å | |
| P | O1P | sing | 1.61Å | 1.48Å | |
| P | O2P | sing | 1.61Å | 1.49Å | |
| P | O5R | sing | 1.61Å | 1.56Å | |
| O1P | H1PO | sing | 0.97Å | 0.95Å | |
| O2P | H2PO | sing | 0.97Å | 0.95Å | |
| O5R | C5R | sing | 1.43Å | 1.42Å | |
| C5R | C4R | sing | 1.53Å | 1.51Å | |
| C5R | H5R1 | sing | 1.09Å | 1.12Å | |
| C5R | H5R2 | sing | 1.09Å | 1.11Å | |
| C4R | O4R | sing | 1.44Å | 1.46Å | |
| C4R | C3R | sing | 1.54Å | 1.54Å | |
| C4R | H4RC | sing | 1.09Å | 1.12Å | |
| O4R | C1R | sing | 1.44Å | 1.40Å | |
| C3R | O3R | sing | 1.43Å | 1.44Å | |
| C3R | C2R | sing | 1.55Å | 1.52Å | |
| C3R | H3RC | sing | 1.09Å | 1.11Å | |
| O3R | H3RO | sing | 0.97Å | 0.95Å | |
| C2R | O2R | sing | 1.43Å | 1.44Å | |
| C2R | C1R | sing | 1.54Å | 1.50Å | |
| C2R | H2RC | sing | 1.09Å | 1.11Å | |
| O2R | H2RO | sing | 0.97Å | 0.95Å | |
| C1R | N1 | sing | 1.47Å | 1.45Å | |
| C1R | H1RC | sing | 1.09Å | 1.12Å | |
| N1 | C2 | doub | 1.32Å | 1.39Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.43Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.47Å | Aromatic |
| C2 | HC2 | sing | 1.08Å | 1.10Å | |
| C3 | C7 | sing | 1.48Å | 1.48Å | |
| C3 | C4 | doub | 1.40Å | 1.51Å | Aromatic |
| C7 | O7 | doub | 1.22Å | 1.25Å | |
| C7 | N7 | sing | 1.35Å | 1.34Å | |
| N7 | HN71 | sing | 0.97Å | 1.02Å | |
| N7 | HN72 | sing | 0.97Å | 1.02Å | |
| C4 | C5 | sing | 1.38Å | 1.50Å | Aromatic |
| C4 | HC4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.38Å | 1.32Å | Aromatic |
| C5 | HC5 | sing | 1.08Å | 1.10Å | |
| C6 | HC6 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3P | P | O1P | 105.9° | 109.5° |
| O3P | P | O2P | 108.9° | 109.5° |
| O3P | P | O5R | 96.1° | 109.5° |
| O1P | P | O2P | 115.8° | 109.5° |
| O1P | P | O5R | 110.2° | 109.5° |
| P | O1P | H1PO | 105.9° | 106.8° |
| O2P | P | O5R | 117.5° | 109.5° |
| P | O2P | H2PO | 108.9° | 106.8° |
| P | O5R | C5R | 121.8° | 106.8° |
| O5R | C5R | C4R | 103.5° | 109.5° |
| O5R | C5R | H5R1 | 114.5° | 109.5° |
| O5R | C5R | H5R2 | 114.5° | 109.4° |
| C4R | C5R | H5R1 | 114.4° | 109.5° |
| C4R | C5R | H5R2 | 114.5° | 109.4° |
| C5R | C4R | O4R | 106.7° | 110.4° |
| C5R | C4R | C3R | 115.7° | 110.5° |
| C5R | C4R | H4RC | 105.9° | 110.3° |
| H5R1 | C5R | H5R2 | 96.0° | 109.5° |
| O4R | C4R | C3R | 105.0° | 104.8° |
| O4R | C4R | H4RC | 116.4° | 110.4° |
| C4R | O4R | C1R | 107.7° | 105.3° |
| C3R | C4R | H4RC | 107.5° | 110.3° |
| C4R | C3R | O3R | 110.8° | 110.6° |
| C4R | C3R | C2R | 102.2° | 104.1° |
| C4R | C3R | H3RC | 114.0° | 110.5° |
| O4R | C1R | C2R | 103.4° | 104.9° |
| O4R | C1R | N1 | 111.9° | 110.4° |
| O4R | C1R | H1RC | 112.5° | 110.4° |
| O3R | C3R | C2R | 111.5° | 110.6° |
| O3R | C3R | H3RC | 105.1° | 110.5° |
| C3R | O3R | H3RO | 110.8° | 106.8° |
| C2R | C3R | H3RC | 113.4° | 110.5° |
| C3R | C2R | O2R | 110.5° | 110.5° |
| C3R | C2R | C1R | 100.5° | 104.0° |
| C3R | C2R | H2RC | 115.8° | 110.5° |
| O2R | C2R | C1R | 113.0° | 110.8° |
| O2R | C2R | H2RC | 104.0° | 110.4° |
| C2R | O2R | H2RO | 110.5° | 106.8° |
| C1R | C2R | H2RC | 113.4° | 110.5° |
| C2R | C1R | N1 | 111.5° | 110.3° |
| C2R | C1R | H1RC | 113.0° | 110.4° |
| N1 | C1R | H1RC | 104.8° | 110.4° |
| C1R | N1 | C2 | 119.3° | 119.0° |
| C1R | N1 | C6 | 121.5° | 119.1° |
| C2 | N1 | C6 | 119.2° | 121.9° |
| N1 | C2 | C3 | 121.5° | 120.6° |
| N1 | C2 | HC2 | 116.3° | 119.8° |
| N1 | C6 | C5 | 121.5° | 121.1° |
| N1 | C6 | HC6 | 123.1° | 119.4° |
| C3 | C2 | HC2 | 122.2° | 119.6° |
| C2 | C3 | C7 | 116.2° | 120.6° |
| C2 | C3 | C4 | 118.6° | 118.8° |
| C7 | C3 | C4 | 124.9° | 120.6° |
| C3 | C7 | O7 | 117.2° | 120.0° |
| C3 | C7 | N7 | 122.6° | 120.0° |
| C3 | C4 | C5 | 112.5° | 118.3° |
| C3 | C4 | HC4 | 124.0° | 120.8° |
| O7 | C7 | N7 | 120.3° | 120.0° |
| C7 | N7 | HN71 | 120.3° | 120.0° |
| C7 | N7 | HN72 | 122.6° | 120.0° |
| HN71 | N7 | HN72 | 117.2° | 120.0° |
| C5 | C4 | HC4 | 123.5° | 120.9° |
| C4 | C5 | C6 | 125.7° | 119.3° |
| C4 | C5 | HC5 | 124.2° | 120.3° |
| C6 | C5 | HC5 | 110.1° | 120.4° |
| C5 | C6 | HC6 | 115.4° | 119.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3P | P | O1P | O2P | 120.8° | 120.0° |
| O3P | P | O1P | O5R | 102.9° | 120.0° |
| O3P | P | O2P | O5R | 107.8° | 120.0° |
| O3P | P | O1P | H1PO | 180.0° | 60.0° |
| O3P | P | O2P | H2PO | 180.0° | 180.0° |
| O3P | P | O5R | C5R | 114.5° | 55.0° |
| O1P | P | O2P | O5R | 133.1° | 120.0° |
| O1P | P | O2P | H2PO | 60.9° | 60.0° |
| O1P | P | O5R | C5R | 136.1° | 175.0° |
| O2P | P | O1P | H1PO | 59.2° | 60.0° |
| O2P | P | O5R | C5R | 0.6° | 65.0° |
| O5R | P | O1P | H1PO | 77.1° | 180.0° |
| O5R | P | O2P | H2PO | 72.2° | 60.0° |
| P | O5R | C5R | C4R | 179.1° | 180.0° |
| P | O5R | C5R | H5R1 | 55.7° | 60.0° |
| P | O5R | C5R | H5R2 | 53.8° | 60.0° |
| O5R | C5R | C4R | H5R1 | 125.3° | 120.1° |
| O5R | C5R | C4R | H5R2 | 125.3° | 119.9° |
| O5R | C5R | H5R1 | H5R2 | 120.4° | 120.0° |
| O5R | C5R | C4R | O4R | 163.0° | 66.4° |
| O5R | C5R | C4R | C3R | 46.6° | 178.1° |
| O5R | C5R | C4R | H4RC | 72.4° | 55.9° |
| C4R | C5R | H5R1 | H5R2 | 120.3° | 120.0° |
| C5R | C4R | O4R | C3R | 123.3° | 119.0° |
| C5R | C4R | O4R | H4RC | 117.9° | 122.2° |
| C5R | C4R | C3R | H4RC | 118.1° | 122.2° |
| C5R | C4R | O4R | C1R | 136.8° | 159.5° |
| C5R | C4R | C3R | O3R | 139.2° | 98.3° |
| C5R | C4R | C3R | C2R | 101.8° | 143.0° |
| C5R | C4R | C3R | H3RC | 20.9° | 24.3° |
| H5R1 | C5R | C4R | O4R | 71.7° | 173.5° |
| H5R1 | C5R | C4R | C3R | 171.9° | 58.0° |
| H5R1 | C5R | C4R | H4RC | 52.9° | 64.2° |
| H5R2 | C5R | C4R | O4R | 37.7° | 53.5° |
| H5R2 | C5R | C4R | C3R | 78.7° | 62.0° |
| H5R2 | C5R | C4R | H4RC | 162.3° | 175.8° |
| O4R | C4R | C3R | H4RC | 124.6° | 118.8° |
| O4R | C4R | C3R | O3R | 103.5° | 142.7° |
| O4R | C4R | C3R | C2R | 15.5° | 24.0° |
| O4R | C4R | C3R | H3RC | 138.2° | 94.6° |
| C4R | O4R | C1R | C2R | 37.7° | 40.5° |
| C4R | O4R | C1R | N1 | 157.8° | 159.3° |
| C4R | O4R | C1R | H1RC | 84.6° | 78.4° |
| C3R | C4R | O4R | C1R | 13.5° | 40.5° |
| C4R | C3R | O3R | C2R | 113.1° | 114.7° |
| C4R | C3R | O3R | H3RC | 123.6° | 122.7° |
| C4R | C3R | C2R | H3RC | 123.2° | 118.6° |
| C4R | C3R | O3R | H3RO | 180.0° | 180.0° |
| C4R | C3R | C2R | O2R | 156.1° | 118.8° |
| C4R | C3R | C2R | C1R | 36.5° | 0.1° |
| C4R | C3R | C2R | H2RC | 86.1° | 118.6° |
| H4RC | C4R | O4R | C1R | 105.3° | 78.2° |
| H4RC | C4R | C3R | O3R | 21.1° | 23.9° |
| H4RC | C4R | C3R | C2R | 140.0° | 94.8° |
| H4RC | C4R | C3R | H3RC | 97.2° | 146.6° |
| O4R | C1R | C2R | C3R | 46.3° | 23.9° |
| O4R | C1R | C2R | O2R | 164.1° | 142.6° |
| O4R | C1R | C2R | N1 | 120.4° | 118.8° |
| O4R | C1R | C2R | H1RC | 122.0° | 118.9° |
| O4R | C1R | C2R | H2RC | 77.9° | 94.7° |
| O4R | C1R | N1 | H1RC | 122.2° | 122.3° |
| O4R | C1R | N1 | C2 | 152.0° | 142.7° |
| O4R | C1R | N1 | C6 | 28.0° | 37.0° |
| O3R | C3R | C2R | H3RC | 118.4° | 122.6° |
| O3R | C3R | C2R | O2R | 37.7° | 0.1° |
| O3R | C3R | C2R | C1R | 81.9° | 118.8° |
| O3R | C3R | C2R | H2RC | 155.5° | 122.6° |
| C2R | C3R | O3R | H3RO | 66.9° | 65.3° |
| C3R | C2R | O2R | C1R | 111.7° | 114.7° |
| C3R | C2R | O2R | H2RC | 124.8° | 122.6° |
| C3R | C2R | C1R | H2RC | 124.2° | 118.6° |
| C3R | C2R | O2R | H2RO | 180.0° | 61.5° |
| C3R | C2R | C1R | N1 | 166.7° | 142.8° |
| C3R | C2R | C1R | H1RC | 75.6° | 95.0° |
| H3RC | C3R | O3R | H3RO | 56.4° | 57.3° |
| H3RC | C3R | C2R | O2R | 80.7° | 122.5° |
| H3RC | C3R | C2R | C1R | 159.7° | 118.6° |
| H3RC | C3R | C2R | H2RC | 37.1° | 0.0° |
| O2R | C2R | C1R | H2RC | 118.0° | 122.7° |
| O2R | C2R | C1R | N1 | 75.6° | 98.6° |
| O2R | C2R | C1R | H1RC | 42.1° | 23.7° |
| C1R | C2R | O2R | H2RO | 68.3° | 176.1° |
| C2R | C1R | N1 | H1RC | 122.5° | 122.2° |
| C2R | C1R | N1 | C2 | 92.7° | 101.8° |
| C2R | C1R | N1 | C6 | 87.3° | 78.5° |
| H2RC | C2R | O2R | H2RO | 55.2° | 61.1° |
| H2RC | C2R | C1R | N1 | 42.5° | 24.2° |
| H2RC | C2R | C1R | H1RC | 160.1° | 146.4° |
| C1R | N1 | C2 | C6 | 179.9° | 179.7° |
| C1R | N1 | C2 | C3 | 170.6° | 179.7° |
| C1R | N1 | C2 | HC2 | 9.5° | 0.3° |
| C1R | N1 | C6 | C5 | 178.2° | 180.0° |
| C1R | N1 | C6 | HC6 | 1.8° | 0.0° |
| H1RC | C1R | N1 | C2 | 29.9° | 20.4° |
| H1RC | C1R | N1 | C6 | 150.2° | 159.3° |
| N1 | C2 | C3 | HC2 | 180.0° | 179.4° |
| N1 | C2 | C3 | C7 | 173.6° | 179.7° |
| N1 | C2 | C3 | C4 | 12.6° | 0.6° |
| C2 | N1 | C6 | C5 | 1.7° | 0.3° |
| C2 | N1 | C6 | HC6 | 178.3° | 179.7° |
| C6 | N1 | C2 | C3 | 9.4° | 0.6° |
| C6 | N1 | C2 | HC2 | 170.6° | 180.0° |
| N1 | C6 | C5 | C4 | 2.6° | 0.0° |
| N1 | C6 | C5 | HC6 | 180.0° | 180.0° |
| N1 | C6 | C5 | HC5 | 177.4° | 180.0° |
| C2 | C3 | C7 | C4 | 173.3° | 179.7° |
| C2 | C3 | C7 | O7 | 178.1° | 0.3° |
| C2 | C3 | C7 | N7 | 2.2° | 179.7° |
| C2 | C3 | C4 | C5 | 7.9° | 0.3° |
| C2 | C3 | C4 | HC4 | 172.1° | 179.7° |
| HC2 | C2 | C3 | C7 | 6.4° | 0.3° |
| HC2 | C2 | C3 | C4 | 167.3° | 180.0° |
| C3 | C7 | O7 | N7 | 179.7° | 180.0° |
| C3 | C7 | N7 | HN71 | 0.3° | 180.0° |
| C3 | C7 | N7 | HN72 | 179.9° | 0.3° |
| C7 | C3 | C4 | C5 | 178.9° | 180.0° |
| C7 | C3 | C4 | HC4 | 1.1° | 0.0° |
| C4 | C3 | C7 | O7 | 8.5° | 180.0° |
| C4 | C3 | C7 | N7 | 171.1° | 0.0° |
| C3 | C4 | C5 | HC4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.7° | 0.0° |
| C3 | C4 | C5 | HC5 | 179.3° | 180.0° |
| O7 | C7 | N7 | HN71 | 179.9° | 0.0° |
| O7 | C7 | N7 | HN72 | 0.3° | 179.7° |
| C7 | N7 | HN71 | HN72 | 179.8° | 179.7° |
| C4 | C5 | C6 | HC5 | 180.0° | 180.0° |
| C4 | C5 | C6 | HC6 | 177.4° | 180.0° |
| HC4 | C4 | C5 | C6 | 179.3° | 180.0° |
| HC4 | C4 | C5 | HC5 | 0.7° | 0.0° |
| HC5 | C5 | C6 | HC6 | 2.6° | 0.0° |
