SC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.34Å | 1.40Å | |
| N1 | C6 | sing | 1.36Å | 1.37Å | |
| N1 | C1' | sing | 1.47Å | 1.49Å | |
| C2 | N3 | sing | 1.33Å | 1.36Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| N3 | C4 | doub | 1.33Å | 1.34Å | |
| C4 | C5 | sing | 1.41Å | 1.43Å | |
| C4 | N4 | sing | 1.38Å | 1.34Å | |
| C5 | C6 | doub | 1.35Å | 1.35Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N4 | HN41 | sing | 0.97Å | 1.01Å | |
| N4 | HN42 | sing | 0.97Å | 1.01Å | |
| C1' | C2' | sing | 1.54Å | 1.53Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| C1' | H1' | sing | 1.09Å | 1.09Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.08Å | |
| C2' | H2'' | sing | 1.09Å | 1.09Å | |
| C3' | C4' | sing | 1.55Å | 1.53Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | H3' | sing | 1.09Å | 1.09Å | |
| C4' | O4' | sing | 1.45Å | 1.42Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.09Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| C5' | H5' | sing | 1.09Å | 1.09Å | |
| C5' | H5'' | sing | 1.09Å | 1.09Å | |
| O5' | P | sing | 1.61Å | 1.62Å | |
| P | OP1 | sing | 1.61Å | 1.48Å | |
| P | S2P | doub | 1.86Å | 2.13Å | |
| P | OP3 | sing | 1.61Å | 1.62Å | |
| OP1 | HOP1 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 120.1° | 120.3° |
| C2 | N1 | C1' | 118.3° | 119.9° |
| N1 | C2 | N3 | 118.6° | 121.1° |
| N1 | C2 | O2 | 121.1° | 119.4° |
| C6 | N1 | C1' | 121.4° | 119.8° |
| N1 | C6 | C5 | 121.6° | 119.3° |
| N1 | C6 | H6 | 119.9° | 120.4° |
| N1 | C1' | C2' | 110.0° | 109.9° |
| N1 | C1' | O4' | 111.6° | 109.9° |
| N1 | C1' | H1' | 111.1° | 109.9° |
| N3 | C2 | O2 | 120.3° | 119.5° |
| C2 | N3 | C4 | 121.0° | 120.7° |
| N3 | C4 | C5 | 121.3° | 119.6° |
| N3 | C4 | N4 | 118.9° | 120.2° |
| C5 | C4 | N4 | 119.7° | 120.1° |
| C4 | C5 | C6 | 116.8° | 118.9° |
| C4 | C5 | H5 | 123.6° | 120.5° |
| C4 | N4 | HN41 | 120.2° | 120.0° |
| C4 | N4 | HN42 | 119.9° | 120.1° |
| C6 | C5 | H5 | 119.6° | 120.5° |
| C5 | C6 | H6 | 118.5° | 120.3° |
| HN41 | N4 | HN42 | 119.9° | 120.0° |
| C2' | C1' | O4' | 106.7° | 107.4° |
| C2' | C1' | H1' | 109.4° | 109.9° |
| C1' | C2' | C3' | 103.7° | 104.2° |
| C1' | C2' | H2' | 112.0° | 110.6° |
| C1' | C2' | H2'' | 109.0° | 110.5° |
| O4' | C1' | H1' | 107.9° | 109.8° |
| C1' | O4' | C4' | 108.8° | 106.9° |
| C3' | C2' | H2' | 111.6° | 110.5° |
| C3' | C2' | H2'' | 110.0° | 110.5° |
| C2' | C3' | C4' | 99.6° | 102.1° |
| C2' | C3' | O3' | 111.1° | 110.9° |
| C2' | C3' | H3' | 110.1° | 110.9° |
| H2' | C2' | H2'' | 110.4° | 110.5° |
| C4' | C3' | O3' | 113.2° | 111.0° |
| C4' | C3' | H3' | 110.0° | 110.9° |
| C3' | C4' | O4' | 104.9° | 103.6° |
| C3' | C4' | C5' | 114.3° | 110.7° |
| C3' | C4' | H4' | 108.9° | 110.6° |
| O3' | C3' | H3' | 112.2° | 110.8° |
| C3' | O3' | HO3' | 111.1° | 106.9° |
| O4' | C4' | C5' | 110.9° | 110.7° |
| O4' | C4' | H4' | 108.3° | 110.5° |
| C5' | C4' | H4' | 109.4° | 110.6° |
| C4' | C5' | O5' | 110.1° | 109.6° |
| C4' | C5' | H5' | 109.2° | 109.4° |
| C4' | C5' | H5'' | 108.8° | 109.4° |
| O5' | C5' | H5' | 110.0° | 109.5° |
| O5' | C5' | H5'' | 109.8° | 109.5° |
| C5' | O5' | P | 122.6° | 106.8° |
| H5' | C5' | H5'' | 109.0° | 109.5° |
| O5' | P | OP1 | 108.1° | 109.5° |
| O5' | P | S2P | 106.4° | 109.5° |
| O5' | P | OP3 | 105.8° | 109.5° |
| OP1 | P | S2P | 120.2° | 109.4° |
| OP1 | P | OP3 | 107.7° | 109.5° |
| P | OP1 | HOP1 | 108.1° | 106.8° |
| S2P | P | OP3 | 107.7° | 109.5° |
| P | OP3 | HOP3 | 105.8° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C1' | 176.5° | 180.0° |
| N1 | C2 | N3 | O2 | 179.1° | 180.0° |
| N1 | C2 | N3 | C4 | 2.9° | 0.0° |
| C2 | N1 | C6 | C5 | 7.1° | 0.3° |
| C2 | N1 | C6 | H6 | 171.6° | 180.0° |
| C2 | N1 | C1' | C2' | 89.2° | 59.7° |
| C2 | N1 | C1' | O4' | 152.6° | 58.3° |
| C2 | N1 | C1' | H1' | 32.1° | 179.3° |
| C6 | N1 | C2 | N3 | 8.0° | 0.0° |
| C6 | N1 | C2 | O2 | 171.1° | 180.0° |
| N1 | C6 | C5 | C4 | 1.1° | 0.5° |
| N1 | C6 | C5 | H6 | 178.7° | 179.7° |
| N1 | C6 | C5 | H5 | 179.5° | 180.0° |
| C6 | N1 | C1' | C2' | 87.4° | 120.3° |
| C6 | N1 | C1' | O4' | 30.9° | 121.7° |
| C6 | N1 | C1' | H1' | 151.4° | 0.8° |
| C1' | N1 | C2 | N3 | 175.4° | 180.0° |
| C1' | N1 | C2 | O2 | 5.5° | 0.0° |
| C1' | N1 | C6 | C5 | 176.5° | 179.7° |
| C1' | N1 | C6 | H6 | 4.8° | 0.1° |
| N1 | C1' | C2' | O4' | 121.3° | 119.5° |
| N1 | C1' | C2' | H1' | 122.3° | 121.0° |
| N1 | C1' | O4' | H1' | 122.4° | 121.0° |
| N1 | C1' | C2' | C3' | 104.1° | 121.4° |
| N1 | C1' | C2' | H2' | 16.4° | 119.9° |
| N1 | C1' | C2' | H2'' | 138.8° | 2.8° |
| N1 | C1' | O4' | C4' | 129.1° | 145.8° |
| C2 | N3 | C4 | C5 | 3.1° | 0.2° |
| C2 | N3 | C4 | N4 | 179.6° | 180.0° |
| O2 | C2 | N3 | C4 | 176.1° | 180.0° |
| N3 | C4 | C5 | N4 | 176.5° | 179.8° |
| N3 | C4 | C5 | C6 | 4.0° | 0.5° |
| N3 | C4 | C5 | H5 | 175.4° | 180.0° |
| N3 | C4 | N4 | HN41 | 179.7° | 0.0° |
| N3 | C4 | N4 | HN42 | 2.3° | 179.7° |
| C4 | C5 | C6 | H5 | 179.4° | 179.5° |
| C4 | C5 | C6 | H6 | 177.6° | 179.8° |
| C5 | C4 | N4 | HN41 | 3.1° | 179.7° |
| C5 | C4 | N4 | HN42 | 178.9° | 0.5° |
| N4 | C4 | C5 | C6 | 179.4° | 179.7° |
| N4 | C4 | C5 | H5 | 1.2° | 0.3° |
| C4 | N4 | HN41 | HN42 | 178.0° | 179.7° |
| H5 | C5 | C6 | H6 | 1.8° | 0.3° |
| C2' | C1' | O4' | H1' | 117.4° | 119.5° |
| C1' | C2' | C3' | H2' | 120.8° | 118.8° |
| C1' | C2' | C3' | H2'' | 116.4° | 118.7° |
| C1' | C2' | H2' | H2'' | 121.6° | 122.6° |
| C1' | C2' | C3' | C4' | 33.8° | 20.9° |
| C1' | C2' | C3' | O3' | 153.4° | 139.1° |
| C1' | C2' | C3' | H3' | 81.7° | 97.3° |
| C2' | C1' | O4' | C4' | 8.9° | 26.3° |
| O4' | C1' | C2' | C3' | 17.1° | 1.9° |
| O4' | C1' | C2' | H2' | 137.6° | 120.6° |
| O4' | C1' | C2' | H2'' | 100.0° | 116.8° |
| C1' | O4' | C4' | C3' | 31.5° | 39.8° |
| C1' | O4' | C4' | C5' | 155.3° | 158.5° |
| C1' | O4' | C4' | H4' | 84.7° | 78.6° |
| H1' | C1' | C2' | C3' | 133.6° | 117.5° |
| H1' | C1' | C2' | H2' | 105.9° | 1.2° |
| H1' | C1' | C2' | H2'' | 16.5° | 123.8° |
| H1' | C1' | O4' | C4' | 108.6° | 93.2° |
| C3' | C2' | H2' | H2'' | 122.6° | 122.6° |
| C2' | C3' | C4' | O3' | 118.0° | 118.2° |
| C2' | C3' | C4' | H3' | 115.6° | 118.2° |
| C2' | C3' | O3' | H3' | 123.7° | 123.7° |
| C2' | C3' | C4' | O4' | 40.3° | 36.9° |
| C2' | C3' | C4' | C5' | 161.9° | 155.7° |
| C2' | C3' | C4' | H4' | 75.5° | 81.5° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.5° |
| H2' | C2' | C3' | C4' | 154.6° | 97.9° |
| H2' | C2' | C3' | O3' | 85.8° | 20.4° |
| H2' | C2' | C3' | H3' | 39.1° | 144.0° |
| H2'' | C2' | C3' | C4' | 82.6° | 139.6° |
| H2'' | C2' | C3' | O3' | 37.0° | 102.2° |
| H2'' | C2' | C3' | H3' | 161.9° | 21.4° |
| C4' | C3' | O3' | H3' | 125.2° | 123.6° |
| C3' | C4' | O4' | C5' | 123.9° | 118.7° |
| C3' | C4' | O4' | H4' | 116.1° | 118.5° |
| C3' | C4' | C5' | H4' | 122.3° | 122.9° |
| C4' | C3' | O3' | HO3' | 68.9° | 174.2° |
| C3' | C4' | C5' | O5' | 57.2° | 180.0° |
| C3' | C4' | C5' | H5' | 178.0° | 60.0° |
| C3' | C4' | C5' | H5'' | 63.2° | 60.0° |
| O3' | C3' | C4' | O4' | 158.3° | 155.1° |
| O3' | C3' | C4' | C5' | 80.1° | 86.1° |
| O3' | C3' | C4' | H4' | 42.5° | 36.7° |
| H3' | C3' | C4' | O4' | 75.4° | 81.3° |
| H3' | C3' | C4' | C5' | 46.3° | 37.5° |
| H3' | C3' | C4' | H4' | 168.9° | 160.3° |
| H3' | C3' | O3' | HO3' | 56.3° | 62.2° |
| O4' | C4' | C5' | H4' | 119.4° | 122.8° |
| O4' | C4' | C5' | O5' | 61.1° | 65.7° |
| O4' | C4' | C5' | H5' | 59.7° | 174.3° |
| O4' | C4' | C5' | H5'' | 178.5° | 54.3° |
| C4' | C5' | O5' | H5' | 120.3° | 119.9° |
| C4' | C5' | O5' | H5'' | 119.8° | 120.0° |
| C4' | C5' | H5' | H5'' | 118.7° | 119.9° |
| C4' | C5' | O5' | P | 179.2° | 180.0° |
| H4' | C4' | C5' | O5' | 179.5° | 57.1° |
| H4' | C4' | C5' | H5' | 59.7° | 62.9° |
| H4' | C4' | C5' | H5'' | 59.1° | 177.1° |
| O5' | C5' | H5' | H5'' | 120.4° | 120.0° |
| C5' | O5' | P | OP1 | 32.3° | 180.0° |
| C5' | O5' | P | S2P | 162.7° | 60.0° |
| C5' | O5' | P | OP3 | 82.8° | 60.0° |
| H5' | C5' | O5' | P | 58.9° | 60.0° |
| H5'' | C5' | O5' | P | 61.0° | 60.0° |
| O5' | P | OP1 | S2P | 122.3° | 120.0° |
| O5' | P | OP1 | OP3 | 113.9° | 120.0° |
| O5' | P | S2P | OP3 | 113.1° | 120.1° |
| O5' | P | OP1 | HOP1 | 180.0° | 180.0° |
| O5' | P | OP3 | HOP3 | 180.0° | 60.0° |
| OP1 | P | S2P | OP3 | 123.7° | 120.0° |
| OP1 | P | OP3 | HOP3 | 64.6° | 60.0° |
| S2P | P | OP1 | HOP1 | 57.7° | 60.0° |
| S2P | P | OP3 | HOP3 | 66.5° | 180.0° |
| OP3 | P | OP1 | HOP1 | 66.1° | 60.0° |
