NCN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O1P | sing | 1.54Å | 1.55Å | |
| P | O2P | doub | 1.54Å | 1.60Å | |
| P | O3P | sing | 1.61Å | 1.55Å | |
| P | O5' | sing | 1.61Å | 1.70Å | |
| O1P | HOP1 | sing | 4.82Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.45Å | |
| C5' | C4' | sing | 1.53Å | 1.57Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.45Å | 1.44Å | |
| C4' | C3' | sing | 1.54Å | 1.60Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O4' | C1' | sing | 1.44Å | 1.53Å | |
| C3' | O3' | sing | 1.43Å | 1.51Å | |
| C3' | C2' | sing | 1.55Å | 1.53Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | HO'3 | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.49Å | |
| C2' | C1' | sing | 1.55Å | 1.62Å | |
| C2' | H2' | sing | 1.09Å | 1.11Å | |
| O2' | HO'2 | sing | 0.97Å | 0.95Å | |
| C1' | N1 | sing | 1.46Å | 1.56Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N1 | C6 | sing | 1.32Å | 1.43Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.44Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.42Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C4 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C3 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | C7 | sing | 1.48Å | 1.53Å | |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C7 | O7 | sing | 1.35Å | 1.32Å | |
| C7 | O8 | doub | 1.21Å | 1.31Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O2P | 115.0° | 109.5° |
| O1P | P | O3P | 110.5° | 109.5° |
| O1P | P | O5' | 105.1° | 109.5° |
| P | O1P | HOP1 | 115.0° | 77.6° |
| O2P | P | O3P | 112.4° | 109.5° |
| O2P | P | O5' | 104.7° | 109.5° |
| O3P | P | O5' | 108.4° | 109.5° |
| P | O5' | C5' | 121.9° | 106.8° |
| O5' | C5' | C4' | 117.9° | 109.5° |
| O5' | C5' | H5'1 | 109.1° | 109.5° |
| O5' | C5' | H5'2 | 109.1° | 109.5° |
| C4' | C5' | H5'1 | 109.2° | 109.5° |
| C4' | C5' | H5'2 | 109.1° | 109.5° |
| C5' | C4' | O4' | 113.4° | 110.4° |
| C5' | C4' | C3' | 115.0° | 110.7° |
| C5' | C4' | H4' | 100.7° | 110.3° |
| H5'1 | C5' | H5'2 | 101.0° | 109.5° |
| O4' | C4' | C3' | 101.9° | 104.7° |
| O4' | C4' | H4' | 114.0° | 110.4° |
| C4' | O4' | C1' | 105.6° | 105.4° |
| C3' | C4' | H4' | 112.4° | 110.3° |
| C4' | C3' | O3' | 119.8° | 110.5° |
| C4' | C3' | C2' | 99.6° | 104.2° |
| C4' | C3' | H3' | 109.8° | 110.5° |
| O4' | C1' | C2' | 106.1° | 104.8° |
| O4' | C1' | N1 | 102.2° | 110.5° |
| O4' | C1' | H1' | 119.9° | 110.4° |
| O3' | C3' | C2' | 110.1° | 110.5° |
| O3' | C3' | H3' | 99.3° | 110.4° |
| C3' | O3' | HO'3 | 119.8° | 106.8° |
| C2' | C3' | H3' | 119.5° | 110.5° |
| C3' | C2' | O2' | 113.8° | 110.5° |
| C3' | C2' | C1' | 98.9° | 104.0° |
| C3' | C2' | H2' | 120.3° | 110.5° |
| O2' | C2' | C1' | 123.9° | 110.6° |
| O2' | C2' | H2' | 92.5° | 110.5° |
| C2' | O2' | HO'2 | 113.9° | 106.7° |
| C1' | C2' | H2' | 109.2° | 110.5° |
| C2' | C1' | N1 | 119.2° | 110.3° |
| C2' | C1' | H1' | 103.3° | 110.4° |
| N1 | C1' | H1' | 107.1° | 110.3° |
| C1' | N1 | C6 | 117.5° | 119.0° |
| C1' | N1 | C2 | 124.5° | 119.1° |
| C6 | N1 | C2 | 118.0° | 121.9° |
| N1 | C6 | C5 | 119.9° | 121.1° |
| N1 | C6 | H6 | 120.5° | 119.5° |
| N1 | C2 | C3 | 121.4° | 120.6° |
| N1 | C2 | H2 | 120.2° | 119.7° |
| C5 | C6 | H6 | 119.6° | 119.4° |
| C6 | C5 | C4 | 119.6° | 119.3° |
| C6 | C5 | H5 | 121.5° | 120.4° |
| C4 | C5 | H5 | 118.9° | 120.3° |
| C5 | C4 | C3 | 122.8° | 118.3° |
| C5 | C4 | H4 | 118.0° | 120.8° |
| C3 | C4 | H4 | 119.3° | 120.9° |
| C4 | C3 | C2 | 118.3° | 118.8° |
| C4 | C3 | C7 | 114.6° | 120.6° |
| C2 | C3 | C7 | 127.1° | 120.6° |
| C3 | C2 | H2 | 118.4° | 119.7° |
| C3 | C7 | O7 | 118.6° | 120.0° |
| C3 | C7 | O8 | 116.0° | 120.0° |
| O7 | C7 | O8 | 125.4° | 120.0° |
| C7 | O7 | HO7 | 118.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O2P | O3P | 127.6° | 120.0° |
| O1P | P | O2P | O5' | 114.9° | 120.0° |
| O1P | P | O3P | O5' | 114.7° | 120.0° |
| O1P | P | O5' | C5' | 88.4° | 55.0° |
| O2P | P | O3P | O5' | 115.3° | 120.0° |
| O2P | P | O1P | HOP1 | 180.0° | 119.4° |
| O2P | P | O5' | C5' | 150.0° | 65.0° |
| O3P | P | O1P | HOP1 | 51.4° | 120.6° |
| O3P | P | O5' | C5' | 29.7° | 175.0° |
| O5' | P | O1P | HOP1 | 65.4° | 0.6° |
| P | O5' | C5' | C4' | 85.1° | 180.0° |
| P | O5' | C5' | H5'1 | 149.6° | 60.0° |
| P | O5' | C5' | H5'2 | 40.1° | 60.0° |
| O5' | C5' | C4' | H5'1 | 125.2° | 120.0° |
| O5' | C5' | C4' | H5'2 | 125.2° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 114.9° | 120.0° |
| O5' | C5' | C4' | O4' | 57.2° | 66.5° |
| O5' | C5' | C4' | C3' | 174.0° | 178.1° |
| O5' | C5' | C4' | H4' | 64.9° | 55.8° |
| C4' | C5' | H5'1 | H5'2 | 114.9° | 120.0° |
| C5' | C4' | O4' | C3' | 124.2° | 119.1° |
| C5' | C4' | O4' | H4' | 114.4° | 122.2° |
| C5' | C4' | C3' | H4' | 114.4° | 122.4° |
| C5' | C4' | O4' | C1' | 161.8° | 159.5° |
| C5' | C4' | C3' | O3' | 63.6° | 98.6° |
| C5' | C4' | C3' | C2' | 176.5° | 142.7° |
| C5' | C4' | C3' | H3' | 50.2° | 24.0° |
| H5'1 | C5' | C4' | O4' | 68.0° | 173.5° |
| H5'1 | C5' | C4' | C3' | 48.7° | 58.1° |
| H5'1 | C5' | C4' | H4' | 169.8° | 64.2° |
| H5'2 | C5' | C4' | O4' | 177.6° | 53.5° |
| H5'2 | C5' | C4' | C3' | 60.8° | 61.9° |
| H5'2 | C5' | C4' | H4' | 60.3° | 175.8° |
| O4' | C4' | C3' | H4' | 122.5° | 118.7° |
| O4' | C4' | C3' | O3' | 173.3° | 142.6° |
| O4' | C4' | C3' | C2' | 53.4° | 23.8° |
| O4' | C4' | C3' | H3' | 72.9° | 94.9° |
| C4' | O4' | C1' | C2' | 9.7° | 40.5° |
| C4' | O4' | C1' | N1 | 135.2° | 159.3° |
| C4' | O4' | C1' | H1' | 106.6° | 78.4° |
| C3' | C4' | O4' | C1' | 37.6° | 40.4° |
| C4' | C3' | O3' | C2' | 114.5° | 114.9° |
| C4' | C3' | O3' | H3' | 119.2° | 122.6° |
| C4' | C3' | C2' | H3' | 119.4° | 118.7° |
| C4' | C3' | O3' | HO'3 | 180.0° | 178.1° |
| C4' | C3' | C2' | O2' | 89.3° | 118.8° |
| C4' | C3' | C2' | C1' | 44.0° | 0.1° |
| C4' | C3' | C2' | H2' | 162.4° | 118.5° |
| H4' | C4' | O4' | C1' | 83.8° | 78.3° |
| H4' | C4' | C3' | O3' | 50.9° | 23.8° |
| H4' | C4' | C3' | C2' | 69.0° | 94.9° |
| H4' | C4' | C3' | H3' | 164.6° | 146.3° |
| O4' | C1' | C2' | C3' | 23.3° | 24.0° |
| O4' | C1' | C2' | O2' | 103.4° | 142.7° |
| O4' | C1' | C2' | N1 | 114.4° | 118.9° |
| O4' | C1' | C2' | H1' | 127.0° | 118.9° |
| O4' | C1' | C2' | H2' | 149.8° | 94.6° |
| O4' | C1' | N1 | H1' | 126.9° | 122.3° |
| O4' | C1' | N1 | C6 | 48.8° | 35.4° |
| O4' | C1' | N1 | C2 | 129.5° | 144.9° |
| O3' | C3' | C2' | H3' | 113.8° | 122.5° |
| O3' | C3' | C2' | O2' | 37.5° | 0.1° |
| O3' | C3' | C2' | C1' | 170.8° | 118.7° |
| O3' | C3' | C2' | H2' | 70.8° | 122.7° |
| C2' | C3' | O3' | HO'3 | 65.4° | 63.3° |
| C3' | C2' | O2' | C1' | 120.0° | 114.7° |
| C3' | C2' | O2' | H2' | 124.8° | 122.7° |
| C3' | C2' | C1' | H2' | 126.5° | 118.6° |
| C3' | C2' | O2' | HO'2 | 180.0° | 61.5° |
| C3' | C2' | C1' | N1 | 91.1° | 143.0° |
| C3' | C2' | C1' | H1' | 150.3° | 94.8° |
| H3' | C3' | O3' | HO'3 | 60.8° | 59.3° |
| H3' | C3' | C2' | O2' | 151.3° | 122.4° |
| H3' | C3' | C2' | C1' | 75.4° | 118.8° |
| H3' | C3' | C2' | H2' | 43.0° | 0.2° |
| O2' | C2' | C1' | H2' | 106.8° | 122.7° |
| O2' | C2' | C1' | N1 | 142.2° | 98.4° |
| O2' | C2' | C1' | H1' | 23.6° | 23.8° |
| C1' | C2' | O2' | HO'2 | 60.0° | 176.1° |
| C2' | C1' | N1 | H1' | 116.6° | 122.2° |
| C2' | C1' | N1 | C6 | 67.8° | 80.0° |
| C2' | C1' | N1 | C2 | 114.0° | 99.7° |
| H2' | C2' | O2' | HO'2 | 55.2° | 61.2° |
| H2' | C2' | C1' | N1 | 35.4° | 24.3° |
| H2' | C2' | C1' | H1' | 83.2° | 146.5° |
| C1' | N1 | C6 | C2 | 178.4° | 179.8° |
| C1' | N1 | C6 | C5 | 178.8° | 180.0° |
| C1' | N1 | C6 | H6 | 1.2° | 0.0° |
| C1' | N1 | C2 | C3 | 178.5° | 179.7° |
| C1' | N1 | C2 | H2 | 1.4° | 0.3° |
| H1' | C1' | N1 | C6 | 175.7° | 157.7° |
| H1' | C1' | N1 | C2 | 2.6° | 22.5° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | C4 | 0.4° | 0.0° |
| N1 | C6 | C5 | H5 | 179.6° | 180.0° |
| C6 | N1 | C2 | C3 | 0.3° | 0.6° |
| C6 | N1 | C2 | H2 | 179.7° | 180.0° |
| C2 | N1 | C6 | C5 | 0.4° | 0.3° |
| C2 | N1 | C6 | H6 | 179.6° | 179.8° |
| N1 | C2 | C3 | C4 | 0.2° | 0.6° |
| N1 | C2 | C3 | H2 | 180.0° | 179.4° |
| N1 | C2 | C3 | C7 | 179.6° | 179.7° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.3° | 0.0° |
| C6 | C5 | C4 | H4 | 179.6° | 180.0° |
| H6 | C6 | C5 | C4 | 179.5° | 180.0° |
| H6 | C6 | C5 | H5 | 0.4° | 0.0° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.3° |
| C5 | C4 | C3 | C7 | 179.7° | 180.0° |
| H5 | C5 | C4 | C3 | 179.7° | 180.0° |
| H5 | C5 | C4 | H4 | 0.3° | 0.0° |
| C4 | C3 | C2 | C7 | 179.4° | 179.7° |
| C4 | C3 | C2 | H2 | 179.8° | 180.0° |
| C4 | C3 | C7 | O7 | 38.8° | 0.0° |
| C4 | C3 | C7 | O8 | 143.0° | 180.0° |
| H4 | C4 | C3 | C2 | 179.8° | 179.8° |
| H4 | C4 | C3 | C7 | 0.3° | 0.0° |
| C2 | C3 | C7 | O7 | 140.7° | 179.7° |
| C2 | C3 | C7 | O8 | 37.6° | 0.3° |
| C7 | C3 | C2 | H2 | 0.4° | 0.3° |
| C3 | C7 | O7 | O8 | 178.1° | 180.0° |
| C3 | C7 | O7 | HO7 | 180.0° | 180.0° |
| O8 | C7 | O7 | HO7 | 1.9° | 0.1° |
