70U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.34Å | 1.38Å | |
| N1 | C6 | sing | 1.37Å | 1.37Å | |
| N1 | C1' | sing | 1.46Å | 1.45Å | |
| C2 | S2 | doub | 1.71Å | 1.24Å | |
| C2 | N3 | sing | 1.35Å | 1.38Å | |
| N3 | C4 | sing | 1.35Å | 1.39Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C4 | O4 | doub | 1.22Å | 1.22Å | |
| C4 | C5 | sing | 1.42Å | 1.45Å | |
| C5 | C6 | doub | 1.35Å | 1.33Å | |
| C5 | C5M | sing | 1.51Å | 1.50Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C5M | C8 | sing | 1.51Å | 1.50Å | |
| C5M | H71 | sing | 1.09Å | 1.11Å | |
| C5M | H72 | sing | 1.09Å | 1.12Å | |
| C8 | O8 | doub | 1.21Å | 1.25Å | |
| C8 | O9 | sing | 1.34Å | 1.42Å | |
| O9 | C9 | sing | 1.45Å | 1.42Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C9 | H93 | sing | 1.09Å | 1.12Å | |
| C1' | C2' | sing | 1.54Å | 1.52Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| O2' | C2' | sing | 1.43Å | 1.41Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| O3' | C3' | sing | 1.43Å | 1.42Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C3' | C4' | sing | 1.55Å | 1.51Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C5' | sing | 1.53Å | 1.50Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| C5' | H5' | sing | 1.09Å | 1.11Å | |
| C5' | H5'' | sing | 1.09Å | 1.11Å | |
| O5' | P | sing | 1.61Å | 1.59Å | |
| P | OP1 | doub | 1.48Å | 1.49Å | |
| P | OP2 | sing | 1.61Å | 1.49Å | |
| P | OP3 | sing | 1.61Å | 1.60Å | |
| OP2 | HOP2 | 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 | 121.9° | 120.6° |
| C2 | N1 | C1' | 119.7° | 119.7° |
| N1 | C2 | S2 | 123.2° | 119.5° |
| N1 | C2 | N3 | 114.0° | 121.0° |
| C6 | N1 | C1' | 118.5° | 119.7° |
| N1 | C6 | C5 | 124.1° | 119.7° |
| N1 | C6 | H6 | 119.7° | 120.1° |
| N1 | C1' | C2' | 111.3° | 110.4° |
| N1 | C1' | O4' | 107.5° | 110.4° |
| N1 | C1' | H1' | 109.0° | 110.4° |
| S2 | C2 | N3 | 122.7° | 119.5° |
| C2 | N3 | C4 | 126.7° | 120.2° |
| C2 | N3 | HN3 | 116.4° | 119.9° |
| C4 | N3 | HN3 | 116.9° | 119.9° |
| N3 | C4 | O4 | 119.9° | 120.3° |
| N3 | C4 | C5 | 115.3° | 119.4° |
| O4 | C4 | C5 | 124.8° | 120.3° |
| C4 | C5 | C6 | 118.0° | 119.1° |
| C4 | C5 | C5M | 120.1° | 120.4° |
| C6 | C5 | C5M | 121.9° | 120.5° |
| C5 | C6 | H6 | 116.2° | 120.1° |
| C5 | C5M | C8 | 114.3° | 109.5° |
| C5 | C5M | H71 | 110.4° | 109.4° |
| C5 | C5M | H72 | 110.4° | 109.5° |
| C8 | C5M | H71 | 110.4° | 109.5° |
| C8 | C5M | H72 | 110.4° | 109.5° |
| C5M | C8 | O8 | 119.7° | 120.0° |
| C5M | C8 | O9 | 117.5° | 120.0° |
| H71 | C5M | H72 | 99.9° | 109.4° |
| O8 | C8 | O9 | 122.8° | 120.0° |
| C8 | O9 | C9 | 101.4° | 120.0° |
| O9 | C9 | H91 | 101.5° | 109.5° |
| O9 | C9 | H92 | 115.3° | 109.5° |
| O9 | C9 | H93 | 115.3° | 109.5° |
| H91 | C9 | H92 | 115.3° | 109.5° |
| H91 | C9 | H93 | 115.3° | 109.4° |
| H92 | C9 | H93 | 95.1° | 109.4° |
| C2' | C1' | O4' | 107.4° | 104.9° |
| C2' | C1' | H1' | 109.0° | 110.3° |
| C1' | C2' | O2' | 109.2° | 110.8° |
| C1' | C2' | C3' | 101.4° | 104.0° |
| C1' | C2' | H2' | 116.5° | 110.4° |
| O4' | C1' | H1' | 112.7° | 110.3° |
| C1' | O4' | C4' | 109.3° | 105.3° |
| C2' | O2' | HO2' | 109.1° | 106.8° |
| O2' | C2' | C3' | 114.1° | 110.5° |
| O2' | C2' | H2' | 104.3° | 110.4° |
| C3' | C2' | H2' | 111.8° | 110.5° |
| C2' | C3' | O3' | 110.9° | 110.5° |
| C2' | C3' | C4' | 101.8° | 104.0° |
| C2' | C3' | H3' | 113.4° | 110.6° |
| C3' | O3' | HO3' | 110.9° | 106.8° |
| O3' | C3' | C4' | 109.3° | 110.5° |
| O3' | C3' | H3' | 106.5° | 110.5° |
| C4' | C3' | H3' | 115.0° | 110.5° |
| C3' | C4' | O4' | 104.0° | 104.8° |
| C3' | C4' | C5' | 115.9° | 110.5° |
| C3' | C4' | H4' | 109.1° | 110.3° |
| O4' | C4' | C5' | 110.0° | 110.4° |
| O4' | C4' | H4' | 115.2° | 110.4° |
| C5' | C4' | H4' | 103.0° | 110.3° |
| C4' | C5' | O5' | 110.8° | 109.5° |
| C4' | C5' | H5' | 111.7° | 109.5° |
| C4' | C5' | H5'' | 111.7° | 109.4° |
| O5' | C5' | H5' | 111.7° | 109.5° |
| O5' | C5' | H5'' | 111.7° | 109.5° |
| C5' | O5' | P | 119.7° | 106.8° |
| H5' | C5' | H5'' | 98.7° | 109.4° |
| O5' | P | OP1 | 105.8° | 109.4° |
| O5' | P | OP2 | 111.2° | 109.5° |
| O5' | P | OP3 | 104.4° | 109.5° |
| OP1 | P | OP2 | 119.6° | 109.5° |
| OP1 | P | OP3 | 109.3° | 109.5° |
| OP2 | P | OP3 | 105.6° | 109.5° |
| P | OP2 | HOP2 | 111.2° | 106.8° |
| P | OP3 | HOP3 | 104.4° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C1' | 179.2° | 180.0° |
| N1 | C2 | S2 | N3 | 179.4° | 179.9° |
| N1 | C2 | N3 | C4 | 1.3° | 0.2° |
| N1 | C2 | N3 | HN3 | 178.7° | 180.0° |
| C2 | N1 | C6 | C5 | 1.8° | 0.0° |
| C2 | N1 | C6 | H6 | 178.2° | 180.0° |
| C2 | N1 | C1' | C2' | 65.6° | 58.5° |
| C2 | N1 | C1' | O4' | 177.1° | 57.1° |
| C2 | N1 | C1' | H1' | 54.6° | 179.3° |
| C6 | N1 | C2 | S2 | 179.4° | 180.0° |
| C6 | N1 | C2 | N3 | 0.1° | 0.0° |
| N1 | C6 | C5 | C4 | 2.5° | 0.3° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | C5M | 175.6° | 180.0° |
| C6 | N1 | C1' | C2' | 113.6° | 121.5° |
| C6 | N1 | C1' | O4' | 3.7° | 122.9° |
| C6 | N1 | C1' | H1' | 126.1° | 0.8° |
| C1' | N1 | C2 | S2 | 0.2° | 0.0° |
| C1' | N1 | C2 | N3 | 179.3° | 179.9° |
| C1' | N1 | C6 | C5 | 177.4° | 180.0° |
| C1' | N1 | C6 | H6 | 2.6° | 0.0° |
| N1 | C1' | C2' | O4' | 117.3° | 118.9° |
| N1 | C1' | C2' | H1' | 120.2° | 122.3° |
| N1 | C1' | O4' | H1' | 120.1° | 122.2° |
| N1 | C1' | C2' | O2' | 146.0° | 98.5° |
| N1 | C1' | C2' | C3' | 93.3° | 142.7° |
| N1 | C1' | C2' | H2' | 28.2° | 24.2° |
| N1 | C1' | O4' | C4' | 119.6° | 159.3° |
| S2 | C2 | N3 | C4 | 178.2° | 179.7° |
| S2 | C2 | N3 | HN3 | 1.8° | 0.1° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.8° |
| C2 | N3 | C4 | O4 | 178.7° | 180.0° |
| C2 | N3 | C4 | C5 | 0.6° | 0.5° |
| N3 | C4 | O4 | C5 | 179.3° | 179.5° |
| N3 | C4 | C5 | C6 | 1.2° | 0.5° |
| N3 | C4 | C5 | C5M | 176.8° | 179.7° |
| HN3 | N3 | C4 | O4 | 1.3° | 0.2° |
| HN3 | N3 | C4 | C5 | 179.4° | 179.7° |
| O4 | C4 | C5 | C6 | 179.4° | 180.0° |
| O4 | C4 | C5 | C5M | 2.5° | 0.3° |
| C4 | C5 | C6 | C5M | 178.0° | 179.7° |
| C4 | C5 | C6 | H6 | 177.6° | 179.7° |
| C4 | C5 | C5M | C8 | 48.1° | 90.3° |
| C4 | C5 | C5M | H71 | 173.4° | 149.7° |
| C4 | C5 | C5M | H72 | 77.1° | 29.8° |
| C6 | C5 | C5M | C8 | 133.9° | 90.0° |
| C6 | C5 | C5M | H71 | 8.6° | 30.0° |
| C6 | C5 | C5M | H72 | 100.9° | 150.0° |
| C5M | C5 | C6 | H6 | 4.4° | 0.0° |
| C5 | C5M | C8 | H71 | 125.2° | 120.0° |
| C5 | C5M | C8 | H72 | 125.2° | 120.0° |
| C5 | C5M | H71 | H72 | 116.3° | 120.0° |
| C5 | C5M | C8 | O8 | 89.1° | 0.0° |
| C5 | C5M | C8 | O9 | 91.1° | 180.0° |
| C8 | C5M | H71 | H72 | 116.3° | 120.0° |
| C5M | C8 | O8 | O9 | 179.8° | 180.0° |
| C5M | C8 | O9 | C9 | 104.3° | 180.0° |
| H71 | C5M | C8 | O8 | 145.7° | 120.0° |
| H71 | C5M | C8 | O9 | 34.2° | 60.0° |
| H72 | C5M | C8 | O8 | 36.1° | 120.0° |
| H72 | C5M | C8 | O9 | 143.7° | 60.0° |
| O8 | C8 | O9 | C9 | 75.9° | 0.0° |
| C8 | O9 | C9 | H91 | 180.0° | 179.9° |
| C8 | O9 | C9 | H92 | 54.7° | 60.0° |
| C8 | O9 | C9 | H93 | 54.7° | 60.0° |
| O9 | C9 | H91 | H92 | 125.3° | 120.1° |
| O9 | C9 | H91 | H93 | 125.3° | 120.0° |
| O9 | C9 | H92 | H93 | 121.1° | 120.0° |
| H91 | C9 | H92 | H93 | 121.1° | 119.9° |
| C2' | C1' | O4' | H1' | 120.1° | 118.8° |
| C1' | C2' | O2' | C3' | 112.6° | 114.8° |
| C1' | C2' | O2' | H2' | 125.1° | 122.6° |
| C1' | C2' | O2' | HO2' | 180.0° | 176.1° |
| C1' | C2' | C3' | H2' | 124.7° | 118.5° |
| C1' | C2' | C3' | O3' | 153.6° | 118.8° |
| C1' | C2' | C3' | C4' | 37.4° | 0.1° |
| C1' | C2' | C3' | H3' | 86.7° | 118.5° |
| C2' | C1' | O4' | C4' | 0.2° | 40.4° |
| O4' | C1' | C2' | O2' | 96.7° | 142.6° |
| O4' | C1' | C2' | C3' | 24.0° | 23.8° |
| O4' | C1' | C2' | H2' | 145.6° | 94.7° |
| C1' | O4' | C4' | C3' | 24.1° | 40.5° |
| C1' | O4' | C4' | C5' | 148.9° | 159.5° |
| C1' | O4' | C4' | H4' | 95.2° | 78.3° |
| H1' | C1' | C2' | O2' | 25.8° | 23.8° |
| H1' | C1' | C2' | C3' | 146.5° | 95.0° |
| H1' | C1' | C2' | H2' | 92.0° | 146.5° |
| H1' | C1' | O4' | C4' | 120.4° | 78.4° |
| O2' | C2' | C3' | H2' | 118.1° | 122.6° |
| O2' | C2' | C3' | O3' | 36.4° | 0.2° |
| O2' | C2' | C3' | C4' | 79.8° | 118.8° |
| O2' | C2' | C3' | H3' | 156.1° | 122.5° |
| HO2' | O2' | C2' | C3' | 67.4° | 61.4° |
| HO2' | O2' | C2' | H2' | 54.8° | 61.2° |
| C2' | C3' | O3' | C4' | 111.5° | 114.6° |
| C2' | C3' | O3' | H3' | 123.8° | 122.8° |
| C2' | C3' | O3' | HO3' | 180.0° | 65.4° |
| C2' | C3' | C4' | H3' | 123.0° | 118.7° |
| C2' | C3' | C4' | O4' | 38.3° | 24.0° |
| C2' | C3' | C4' | C5' | 159.3° | 143.0° |
| C2' | C3' | C4' | H4' | 85.0° | 94.8° |
| H2' | C2' | C3' | O3' | 81.6° | 122.7° |
| H2' | C2' | C3' | C4' | 162.1° | 118.6° |
| H2' | C2' | C3' | H3' | 38.1° | 0.1° |
| O3' | C3' | C4' | H3' | 119.6° | 122.6° |
| O3' | C3' | C4' | O4' | 155.7° | 142.7° |
| O3' | C3' | C4' | C5' | 83.4° | 98.3° |
| O3' | C3' | C4' | H4' | 32.4° | 23.9° |
| HO3' | O3' | C3' | C4' | 68.5° | 179.9° |
| HO3' | O3' | C3' | H3' | 56.2° | 57.3° |
| C3' | C4' | O4' | C5' | 124.8° | 119.0° |
| C3' | C4' | O4' | H4' | 119.3° | 118.8° |
| C3' | C4' | C5' | H4' | 119.1° | 122.2° |
| C3' | C4' | C5' | O5' | 56.6° | 176.9° |
| C3' | C4' | C5' | H5' | 178.1° | 63.0° |
| C3' | C4' | C5' | H5'' | 68.6° | 56.9° |
| H3' | C3' | C4' | O4' | 84.6° | 94.7° |
| H3' | C3' | C4' | C5' | 36.3° | 24.2° |
| H3' | C3' | C4' | H4' | 152.0° | 146.5° |
| O4' | C4' | C5' | H4' | 123.3° | 122.3° |
| O4' | C4' | C5' | O5' | 61.0° | 61.4° |
| O4' | C4' | C5' | H5' | 64.3° | 178.5° |
| O4' | C4' | C5' | H5'' | 173.8° | 58.6° |
| C4' | C5' | O5' | H5' | 125.2° | 120.1° |
| C4' | C5' | O5' | H5'' | 125.2° | 120.0° |
| C4' | C5' | H5' | H5'' | 117.6° | 120.0° |
| C4' | C5' | O5' | P | 177.6° | 180.0° |
| H4' | C4' | C5' | O5' | 175.7° | 60.9° |
| H4' | C4' | C5' | H5' | 59.0° | 59.2° |
| H4' | C4' | C5' | H5'' | 50.5° | 179.2° |
| O5' | C5' | H5' | H5'' | 117.6° | 120.0° |
| C5' | O5' | P | OP1 | 33.8° | 60.0° |
| C5' | O5' | P | OP2 | 97.5° | 180.0° |
| C5' | O5' | P | OP3 | 149.1° | 60.0° |
| H5' | C5' | O5' | P | 57.2° | 59.9° |
| H5'' | C5' | O5' | P | 52.4° | 60.0° |
| O5' | P | OP1 | OP2 | 126.3° | 120.0° |
| O5' | P | OP1 | OP3 | 111.9° | 120.0° |
| O5' | P | OP2 | OP3 | 112.7° | 120.1° |
| O5' | P | OP2 | HOP2 | 180.0° | 180.0° |
| O5' | P | OP3 | HOP3 | 180.0° | 60.0° |
| OP1 | P | OP2 | OP3 | 123.6° | 120.0° |
| OP1 | P | OP2 | HOP2 | 56.3° | 60.1° |
| OP1 | P | OP3 | HOP3 | 67.2° | 180.0° |
| OP2 | P | OP3 | HOP3 | 62.7° | 60.0° |
| OP3 | P | OP2 | HOP2 | 67.3° | 59.9° |
