MTP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5' | C5' | sing | 1.43Å | 1.41Å | |
| O5' | H5' | sing | 0.97Å | 0.95Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C3' | sing | 1.55Å | 1.50Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O4' | C1' | sing | 1.44Å | 1.46Å | |
| C1' | N9 | sing | 1.47Å | 1.50Å | |
| C1' | C2' | sing | 1.54Å | 1.56Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| N9 | C8 | sing | 1.36Å | 1.39Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.44Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.36Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N7 | C5 | sing | 1.35Å | 1.34Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.37Å | Aromatic |
| C6 | S6 | sing | 1.76Å | 1.82Å | |
| C6 | N1 | sing | 1.33Å | 1.37Å | Aromatic |
| S6 | CS | sing | 1.81Å | 1.86Å | |
| CS | HS1 | sing | 1.09Å | 1.11Å | |
| CS | HS2 | sing | 1.09Å | 1.12Å | |
| CS | HS3 | sing | 1.09Å | 1.11Å | |
| N1 | C2 | doub | 1.32Å | 1.36Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.36Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | doub | 1.33Å | 1.38Å | Aromatic |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| C2' | C3' | sing | 1.55Å | 1.55Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| O2' | H1 | sing | 0.97Å | 0.95Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| O3' | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5' | O5' | H5' | 111.6° | 106.8° |
| O5' | C5' | C4' | 111.5° | 109.5° |
| O5' | C5' | H5'1 | 111.4° | 109.5° |
| O5' | C5' | H5'2 | 111.5° | 109.5° |
| C4' | C5' | H5'1 | 111.4° | 109.5° |
| C4' | C5' | H5'2 | 111.5° | 109.4° |
| C5' | C4' | O4' | 114.0° | 110.4° |
| C5' | C4' | C3' | 114.5° | 110.5° |
| C5' | C4' | H4' | 100.9° | 110.3° |
| H5'1 | C5' | H5'2 | 98.9° | 109.5° |
| O4' | C4' | C3' | 103.6° | 104.8° |
| O4' | C4' | H4' | 112.3° | 110.3° |
| C4' | O4' | C1' | 111.2° | 105.3° |
| C3' | C4' | H4' | 111.8° | 110.4° |
| C4' | C3' | C2' | 101.4° | 104.1° |
| C4' | C3' | O3' | 106.5° | 110.5° |
| C4' | C3' | H3' | 117.9° | 110.5° |
| O4' | C1' | N9 | 104.9° | 110.4° |
| O4' | C1' | C2' | 100.8° | 104.9° |
| O4' | C1' | H1' | 127.4° | 110.3° |
| N9 | C1' | C2' | 129.6° | 110.4° |
| N9 | C1' | H1' | 96.6° | 110.3° |
| C1' | N9 | C8 | 137.4° | 126.3° |
| C1' | N9 | C4 | 117.9° | 126.3° |
| C2' | C1' | H1' | 101.0° | 110.4° |
| C1' | C2' | O2' | 104.6° | 110.8° |
| C1' | C2' | C3' | 108.1° | 104.0° |
| C1' | C2' | H2' | 114.8° | 110.4° |
| C8 | N9 | C4 | 104.7° | 107.5° |
| N9 | C8 | N7 | 111.5° | 110.0° |
| N9 | C8 | H8 | 125.2° | 125.0° |
| N9 | C4 | C5 | 105.7° | 106.0° |
| N9 | C4 | N3 | 130.4° | 134.9° |
| N7 | C8 | H8 | 123.4° | 125.0° |
| C8 | N7 | C5 | 106.2° | 109.5° |
| N7 | C5 | C6 | 125.8° | 134.7° |
| N7 | C5 | C4 | 112.0° | 107.2° |
| C6 | C5 | C4 | 122.2° | 118.1° |
| C5 | C6 | S6 | 124.8° | 120.8° |
| C5 | C6 | N1 | 114.0° | 118.4° |
| C5 | C4 | N3 | 123.9° | 119.1° |
| S6 | C6 | N1 | 121.2° | 120.8° |
| C6 | S6 | CS | 97.9° | 100.0° |
| C6 | N1 | C2 | 120.9° | 121.2° |
| S6 | CS | HS1 | 116.7° | 109.5° |
| S6 | CS | HS2 | 97.9° | 109.5° |
| S6 | CS | HS3 | 116.7° | 109.5° |
| HS1 | CS | HS2 | 116.7° | 109.4° |
| HS1 | CS | HS3 | 93.7° | 109.4° |
| HS2 | CS | HS3 | 116.7° | 109.5° |
| N1 | C2 | N3 | 127.7° | 122.5° |
| N1 | C2 | H2 | 116.0° | 118.7° |
| N3 | C2 | H2 | 116.3° | 118.8° |
| C2 | N3 | C4 | 111.3° | 120.7° |
| O2' | C2' | C3' | 113.2° | 110.5° |
| O2' | C2' | H2' | 109.9° | 110.5° |
| C2' | O2' | H1 | 104.6° | 106.8° |
| C3' | C2' | H2' | 106.5° | 110.5° |
| C2' | C3' | O3' | 113.8° | 110.6° |
| C2' | C3' | H3' | 111.1° | 110.6° |
| O3' | C3' | H3' | 106.4° | 110.5° |
| C3' | O3' | H3 | 106.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5' | C5' | C4' | H5'1 | 125.2° | 120.0° |
| O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 117.4° | 120.0° |
| O5' | C5' | C4' | O4' | 60.8° | 66.4° |
| O5' | C5' | C4' | C3' | 179.9° | 178.1° |
| O5' | C5' | C4' | H4' | 59.8° | 55.8° |
| H5' | O5' | C5' | C4' | 180.0° | 180.0° |
| H5' | O5' | C5' | H5'1 | 54.8° | 60.0° |
| H5' | O5' | C5' | H5'2 | 54.7° | 60.0° |
| C4' | C5' | H5'1 | H5'2 | 117.3° | 119.9° |
| C5' | C4' | O4' | C3' | 125.1° | 119.0° |
| C5' | C4' | O4' | H4' | 114.0° | 122.2° |
| C5' | C4' | C3' | H4' | 114.0° | 122.3° |
| C5' | C4' | O4' | C1' | 85.2° | 159.5° |
| C5' | C4' | C3' | C2' | 89.7° | 143.0° |
| C5' | C4' | C3' | O3' | 151.0° | 98.3° |
| C5' | C4' | C3' | H3' | 31.8° | 24.2° |
| H5'1 | C5' | C4' | O4' | 173.9° | 173.6° |
| H5'1 | C5' | C4' | C3' | 54.8° | 58.1° |
| H5'1 | C5' | C4' | H4' | 65.5° | 64.2° |
| H5'2 | C5' | C4' | O4' | 64.5° | 53.6° |
| H5'2 | C5' | C4' | C3' | 54.7° | 61.9° |
| H5'2 | C5' | C4' | H4' | 174.9° | 175.8° |
| O4' | C4' | C3' | H4' | 121.2° | 118.7° |
| C4' | O4' | C1' | N9 | 111.3° | 159.3° |
| C4' | O4' | C1' | C2' | 25.0° | 40.4° |
| C4' | O4' | C1' | H1' | 138.0° | 78.5° |
| O4' | C4' | C3' | C2' | 35.1° | 24.0° |
| O4' | C4' | C3' | O3' | 84.2° | 142.7° |
| O4' | C4' | C3' | H3' | 156.5° | 94.7° |
| C3' | C4' | O4' | C1' | 39.9° | 40.5° |
| C4' | C3' | C2' | C1' | 20.9° | 0.1° |
| C4' | C3' | C2' | O2' | 136.2° | 118.8° |
| C4' | C3' | C2' | O3' | 113.9° | 118.6° |
| C4' | C3' | C2' | H3' | 126.1° | 118.7° |
| C4' | C3' | C2' | H2' | 103.0° | 118.6° |
| C4' | C3' | O3' | H3' | 126.5° | 122.6° |
| C4' | C3' | O3' | H3 | 180.0° | 61.5° |
| H4' | C4' | O4' | C1' | 160.8° | 78.3° |
| H4' | C4' | C3' | C2' | 156.3° | 94.7° |
| H4' | C4' | C3' | O3' | 37.0° | 24.0° |
| H4' | C4' | C3' | H3' | 82.3° | 146.5° |
| O4' | C1' | N9 | C2' | 118.1° | 115.5° |
| O4' | C1' | N9 | H1' | 131.6° | 122.2° |
| O4' | C1' | C2' | H1' | 131.9° | 118.9° |
| O4' | C1' | N9 | C8 | 62.3° | 22.1° |
| O4' | C1' | N9 | C4 | 117.1° | 158.0° |
| O4' | C1' | C2' | O2' | 119.8° | 142.5° |
| O4' | C1' | C2' | C3' | 1.1° | 23.8° |
| O4' | C1' | C2' | H2' | 119.8° | 94.7° |
| N9 | C1' | C2' | H1' | 108.3° | 122.2° |
| C1' | N9 | C8 | C4 | 179.4° | 179.9° |
| C1' | N9 | C8 | N7 | 179.3° | 180.0° |
| C1' | N9 | C8 | H8 | 0.7° | 0.1° |
| C1' | N9 | C4 | C5 | 179.3° | 179.8° |
| C1' | N9 | C4 | N3 | 0.4° | 0.1° |
| N9 | C1' | C2' | O2' | 120.5° | 98.5° |
| N9 | C1' | C2' | C3' | 118.7° | 142.7° |
| N9 | C1' | C2' | H2' | 0.0° | 24.2° |
| C2' | C1' | N9 | C8 | 179.6° | 93.5° |
| C2' | C1' | N9 | C4 | 1.0° | 86.5° |
| C1' | C2' | O2' | C3' | 117.4° | 114.7° |
| C1' | C2' | O2' | H2' | 123.7° | 122.7° |
| C1' | C2' | C3' | H2' | 123.9° | 118.5° |
| C1' | C2' | O2' | H1 | 180.0° | 176.2° |
| C1' | C2' | C3' | O3' | 93.0° | 118.8° |
| C1' | C2' | C3' | H3' | 147.0° | 118.5° |
| H1' | C1' | N9 | C8 | 69.3° | 144.3° |
| H1' | C1' | N9 | C4 | 111.3° | 35.8° |
| H1' | C1' | C2' | O2' | 12.1° | 23.7° |
| H1' | C1' | C2' | C3' | 133.0° | 95.1° |
| H1' | C1' | C2' | H2' | 108.4° | 146.4° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| N9 | C8 | N7 | C5 | 0.1° | 0.3° |
| C8 | N9 | C4 | C5 | 0.3° | 0.2° |
| C8 | N9 | C4 | N3 | 180.0° | 180.0° |
| C4 | N9 | C8 | N7 | 0.1° | 0.1° |
| C4 | N9 | C8 | H8 | 179.9° | 180.0° |
| N9 | C4 | C5 | N7 | 0.3° | 0.3° |
| N9 | C4 | C5 | C6 | 179.4° | 179.7° |
| N9 | C4 | C5 | N3 | 179.7° | 179.9° |
| N9 | C4 | N3 | C2 | 179.5° | 179.9° |
| C8 | N7 | C5 | C6 | 179.5° | 179.5° |
| C8 | N7 | C5 | C4 | 0.2° | 0.4° |
| H8 | C8 | N7 | C5 | 179.9° | 179.8° |
| N7 | C5 | C6 | C4 | 179.7° | 179.1° |
| N7 | C5 | C6 | S6 | 0.3° | 0.7° |
| N7 | C5 | C6 | N1 | 180.0° | 179.5° |
| N7 | C5 | C4 | N3 | 180.0° | 179.8° |
| C5 | C6 | S6 | N1 | 179.7° | 179.8° |
| C5 | C6 | S6 | CS | 179.6° | 179.7° |
| C5 | C6 | N1 | C2 | 0.1° | 0.2° |
| C6 | C5 | C4 | N3 | 0.3° | 0.4° |
| C4 | C5 | C6 | S6 | 179.4° | 179.8° |
| C4 | C5 | C6 | N1 | 0.3° | 0.4° |
| C5 | C4 | N3 | C2 | 0.1° | 0.2° |
| C6 | S6 | CS | HS1 | 54.7° | 60.0° |
| C6 | S6 | CS | HS2 | 180.0° | 180.0° |
| C6 | S6 | CS | HS3 | 54.8° | 60.0° |
| S6 | C6 | N1 | C2 | 179.6° | 180.0° |
| N1 | C6 | S6 | CS | 0.0° | 0.0° |
| C6 | N1 | C2 | N3 | 0.1° | 0.0° |
| C6 | N1 | C2 | H2 | 179.9° | 180.0° |
| S6 | CS | HS1 | HS2 | 115.1° | 120.0° |
| S6 | CS | HS1 | HS3 | 122.5° | 120.0° |
| S6 | CS | HS2 | HS3 | 125.3° | 120.1° |
| HS1 | CS | HS2 | HS3 | 109.5° | 119.9° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.1° | 0.0° |
| H2 | C2 | N3 | C4 | 179.9° | 180.0° |
| O2' | C2' | C3' | H2' | 120.8° | 122.6° |
| O2' | C2' | C3' | O3' | 22.3° | 0.2° |
| O2' | C2' | C3' | H3' | 97.7° | 122.5° |
| C3' | C2' | O2' | H1 | 62.5° | 61.5° |
| C2' | C3' | O3' | H3' | 122.6° | 122.8° |
| C2' | C3' | O3' | H3 | 69.1° | 176.1° |
| H2' | C2' | O2' | H1 | 56.3° | 61.1° |
| H2' | C2' | C3' | O3' | 143.1° | 122.7° |
| H2' | C2' | C3' | H3' | 23.1° | 0.1° |
| H3' | C3' | O3' | H3 | 53.5° | 61.1° |
