DVZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N53 | N52 | doub | 1.12Å | 1.33Å | |
| O32 | C83 | doub | 1.21Å | 1.25Å | |
| N52 | N51 | doub | 1.12Å | 1.27Å | |
| N6 | C6 | sing | 1.38Å | 1.30Å | |
| C83 | C82 | sing | 1.51Å | 1.51Å | |
| C83 | O31 | sing | 1.34Å | 1.24Å | |
| C82 | S81 | sing | 1.81Å | 1.79Å | |
| N7 | C5 | sing | 1.36Å | 1.31Å | Aromatic |
| N7 | C8 | doub | 1.31Å | 1.30Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.32Å | Aromatic |
| C5' | N51 | sing | 1.46Å | 1.45Å | |
| C5' | C4' | sing | 1.53Å | 1.55Å | |
| S81 | C8 | sing | 1.76Å | 1.73Å | |
| C5 | C4 | sing | 1.40Å | 1.35Å | Aromatic |
| C8 | N9 | sing | 1.37Å | 1.30Å | Aromatic |
| O4' | C4' | sing | 1.44Å | 1.38Å | |
| O4' | C1' | sing | 1.44Å | 1.36Å | |
| N1 | C2 | doub | 1.32Å | 1.29Å | Aromatic |
| C4 | N9 | sing | 1.38Å | 1.29Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.31Å | Aromatic |
| N9 | C1' | sing | 1.47Å | 1.41Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C2 | N3 | sing | 1.32Å | 1.28Å | Aromatic |
| C1' | C2' | sing | 1.55Å | 1.50Å | |
| C3' | C2' | sing | 1.55Å | 1.51Å | |
| C3' | O3' | sing | 1.43Å | 1.40Å | |
| C2' | O2' | sing | 1.43Å | 1.38Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C1' | H2 | sing | 1.09Å | 1.10Å | |
| C2' | H3 | sing | 1.09Å | 1.10Å | |
| C3' | H4 | sing | 1.09Å | 1.10Å | |
| C4' | H5 | sing | 1.09Å | 1.10Å | |
| C5' | H6 | sing | 1.09Å | 1.10Å | |
| C5' | H7 | sing | 1.09Å | 1.10Å | |
| C82 | H8 | sing | 1.09Å | 1.10Å | |
| C82 | H9 | sing | 1.09Å | 1.10Å | |
| N53 | H10 | sing | 0.97Å | 1.00Å | |
| N6 | H11 | sing | 0.97Å | 1.00Å | |
| N6 | H12 | sing | 0.97Å | 1.00Å | |
| O2' | H13 | sing | 0.97Å | 0.95Å | |
| O3' | H14 | sing | 0.97Å | 0.95Å | |
| O31 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N53 | N52 | N51 | 177.8° | 180.0° |
| N52 | N53 | H10 | 112.0° | 120.0° |
| O32 | C83 | C82 | 117.3° | 120.0° |
| O32 | C83 | O31 | 126.6° | 120.0° |
| N52 | N51 | C5' | 122.4° | 120.0° |
| N6 | C6 | C5 | 122.9° | 120.8° |
| N6 | C6 | N1 | 118.2° | 120.8° |
| C6 | N6 | H11 | 109.5° | 120.0° |
| C6 | N6 | H12 | 109.5° | 120.1° |
| C82 | C83 | O31 | 116.1° | 120.0° |
| C83 | C82 | S81 | 110.2° | 109.5° |
| C83 | C82 | H8 | 109.3° | 109.4° |
| C83 | C82 | H9 | 109.3° | 109.5° |
| C83 | O31 | H15 | 109.5° | 117.0° |
| C82 | S81 | C8 | 101.8° | 100.0° |
| S81 | C82 | H8 | 109.3° | 109.5° |
| S81 | C82 | H9 | 109.3° | 109.5° |
| C5 | N7 | C8 | 108.2° | 109.4° |
| N7 | C5 | C6 | 136.2° | 134.5° |
| N7 | C5 | C4 | 106.6° | 107.3° |
| N7 | C8 | S81 | 127.2° | 125.2° |
| N7 | C8 | N9 | 109.3° | 109.7° |
| C5 | C6 | N1 | 118.8° | 118.4° |
| C6 | C5 | C4 | 117.3° | 118.2° |
| C6 | N1 | C2 | 121.9° | 121.2° |
| N51 | C5' | C4' | 112.2° | 109.4° |
| N51 | C5' | H6 | 108.8° | 109.4° |
| N51 | C5' | H7 | 108.8° | 109.5° |
| C5' | C4' | O4' | 110.7° | 110.0° |
| C5' | C4' | C3' | 119.6° | 109.8° |
| C5' | C4' | H5 | 107.0° | 109.9° |
| C4' | C5' | H6 | 108.8° | 109.5° |
| C4' | C5' | H7 | 108.8° | 109.5° |
| S81 | C8 | N9 | 123.5° | 125.1° |
| C5 | C4 | N9 | 107.9° | 106.2° |
| C5 | C4 | N3 | 119.8° | 119.1° |
| C8 | N9 | C4 | 108.0° | 107.4° |
| C8 | N9 | C1' | 127.2° | 126.3° |
| C4' | O4' | C1' | 102.3° | 107.0° |
| O4' | C4' | C3' | 102.6° | 107.3° |
| O4' | C4' | H5 | 109.3° | 109.9° |
| O4' | C1' | N9 | 104.7° | 110.8° |
| O4' | C1' | C2' | 99.7° | 103.5° |
| O4' | C1' | H2 | 112.1° | 110.6° |
| N1 | C2 | N3 | 120.4° | 122.4° |
| N1 | C2 | H1 | 119.8° | 118.8° |
| N9 | C4 | N3 | 132.2° | 134.7° |
| C4 | N9 | C1' | 124.8° | 126.3° |
| C4 | N3 | C2 | 121.8° | 120.6° |
| N9 | C1' | C2' | 118.7° | 110.7° |
| N9 | C1' | H2 | 111.1° | 110.5° |
| C4' | C3' | C2' | 102.3° | 104.2° |
| C4' | C3' | O3' | 106.2° | 110.5° |
| C4' | C3' | H4 | 112.5° | 110.6° |
| C3' | C4' | H5 | 107.4° | 109.9° |
| N3 | C2 | H1 | 119.8° | 118.7° |
| C1' | C2' | C3' | 99.3° | 102.1° |
| C1' | C2' | O2' | 105.9° | 110.9° |
| C2' | C1' | H2 | 109.8° | 110.6° |
| C1' | C2' | H3 | 113.2° | 110.9° |
| C2' | C3' | O3' | 107.7° | 110.5° |
| C3' | C2' | O2' | 108.8° | 111.0° |
| C3' | C2' | H3 | 113.0° | 110.9° |
| C2' | C3' | H4 | 112.6° | 110.5° |
| O3' | C3' | H4 | 114.6° | 110.5° |
| C3' | O3' | H14 | 109.5° | 114.0° |
| O2' | C2' | H3 | 115.4° | 110.8° |
| C2' | O2' | H13 | 109.5° | 114.0° |
| H6 | C5' | H7 | 109.5° | 109.5° |
| H8 | C82 | H9 | 109.5° | 109.5° |
| H11 | N6 | H12 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N53 | N52 | N51 | C5' | 173.8° | 52.5° |
| O32 | C83 | C82 | O31 | 178.9° | 179.9° |
| O32 | C83 | C82 | S81 | 138.7° | 0.0° |
| O32 | C83 | C82 | H8 | 18.6° | 120.0° |
| O32 | C83 | C82 | H9 | 101.2° | 120.0° |
| O32 | C83 | O31 | H15 | 0.0° | 0.1° |
| N52 | N51 | C5' | C4' | 94.7° | 120.0° |
| N52 | N51 | C5' | H6 | 144.8° | 0.0° |
| N52 | N51 | C5' | H7 | 25.7° | 120.0° |
| N51 | N52 | N53 | H10 | 0.0° | 142.6° |
| N6 | C6 | C5 | N7 | 0.6° | 0.7° |
| N6 | C6 | C5 | N1 | 178.9° | 179.2° |
| N6 | C6 | C5 | C4 | 179.9° | 180.0° |
| N6 | C6 | N1 | C2 | 179.8° | 179.8° |
| C6 | N6 | H11 | H12 | 120.0° | 179.9° |
| C83 | C82 | S81 | H8 | 120.1° | 120.0° |
| C83 | C82 | S81 | H9 | 120.1° | 120.0° |
| C83 | C82 | S81 | C8 | 179.0° | 180.0° |
| C83 | C82 | H8 | H9 | 119.7° | 120.0° |
| C82 | C83 | O31 | H15 | 178.8° | 180.0° |
| O31 | C83 | C82 | S81 | 42.4° | 180.0° |
| O31 | C83 | C82 | H8 | 162.5° | 60.0° |
| O31 | C83 | C82 | H9 | 77.7° | 59.9° |
| C82 | S81 | C8 | N7 | 15.8° | 0.0° |
| C82 | S81 | C8 | N9 | 162.7° | 180.0° |
| S81 | C82 | H8 | H9 | 119.6° | 120.0° |
| N7 | C5 | C6 | C4 | 179.6° | 179.3° |
| N7 | C5 | C6 | N1 | 179.5° | 179.9° |
| C5 | N7 | C8 | S81 | 179.5° | 180.0° |
| C5 | N7 | C8 | N9 | 0.8° | 0.0° |
| N7 | C5 | C4 | N9 | 0.2° | 0.0° |
| N7 | C5 | C4 | N3 | 180.0° | 180.0° |
| C8 | N7 | C5 | C6 | 179.2° | 179.4° |
| N7 | C8 | S81 | N9 | 178.5° | 180.0° |
| C8 | N7 | C5 | C4 | 0.4° | 0.0° |
| N7 | C8 | N9 | C4 | 1.0° | 0.0° |
| N7 | C8 | N9 | C1' | 179.2° | 180.0° |
| C5 | C6 | N1 | C2 | 0.9° | 0.6° |
| C6 | C5 | C4 | N9 | 179.9° | 179.5° |
| C6 | C5 | C4 | N3 | 0.3° | 0.5° |
| C5 | C6 | N6 | H11 | 178.9° | 0.0° |
| C5 | C6 | N6 | H12 | 61.1° | 180.0° |
| N1 | C6 | C5 | C4 | 1.0° | 0.8° |
| C6 | N1 | C2 | N3 | 0.1° | 0.0° |
| C6 | N1 | C2 | H1 | 179.9° | 179.7° |
| N1 | C6 | N6 | H11 | 0.0° | 179.1° |
| N1 | C6 | N6 | H12 | 120.0° | 0.8° |
| N51 | C5' | C4' | H6 | 120.4° | 119.9° |
| N51 | C5' | C4' | H7 | 120.4° | 120.0° |
| N51 | C5' | C4' | O4' | 66.5° | 67.1° |
| N51 | C5' | C4' | C3' | 52.3° | 175.0° |
| N51 | C5' | C4' | H5 | 174.5° | 54.0° |
| N51 | C5' | H6 | H7 | 118.7° | 120.0° |
| C5' | C4' | O4' | C3' | 128.7° | 119.4° |
| C5' | C4' | O4' | H5 | 117.6° | 121.1° |
| C5' | C4' | O4' | C1' | 176.0° | 146.0° |
| C5' | C4' | C3' | H5 | 122.1° | 121.0° |
| C5' | C4' | C3' | C2' | 138.8° | 121.6° |
| C5' | C4' | C3' | O3' | 108.4° | 119.8° |
| C5' | C4' | C3' | H4 | 17.7° | 2.9° |
| C4' | C5' | H6 | H7 | 118.8° | 120.0° |
| S81 | C8 | N9 | C4 | 179.7° | 180.0° |
| S81 | C8 | N9 | C1' | 2.1° | 0.0° |
| C8 | S81 | C82 | H8 | 58.8° | 60.0° |
| C8 | S81 | C82 | H9 | 60.9° | 60.0° |
| C5 | C4 | N9 | C8 | 0.7° | 0.0° |
| C5 | C4 | N9 | N3 | 179.7° | 180.0° |
| C5 | C4 | N9 | C1' | 179.0° | 180.0° |
| C5 | C4 | N3 | C2 | 0.4° | 0.0° |
| C8 | N9 | C1' | O4' | 43.9° | 39.1° |
| C8 | N9 | C4 | C1' | 178.2° | 180.0° |
| C8 | N9 | C4 | N3 | 179.6° | 180.0° |
| C8 | N9 | C1' | C2' | 66.1° | 75.0° |
| C8 | N9 | C1' | H2 | 165.2° | 162.1° |
| C4' | O4' | C1' | N9 | 177.3° | 158.7° |
| O4' | C4' | C3' | H5 | 115.1° | 119.5° |
| C4' | O4' | C1' | C2' | 59.4° | 40.0° |
| O4' | C4' | C3' | C2' | 15.9° | 2.1° |
| O4' | C4' | C3' | O3' | 128.8° | 120.7° |
| C4' | O4' | C1' | H2 | 56.7° | 78.4° |
| O4' | C4' | C3' | H4 | 105.1° | 116.6° |
| O4' | C4' | C5' | H6 | 173.1° | 172.9° |
| O4' | C4' | C5' | H7 | 53.9° | 52.9° |
| O4' | C1' | N9 | C4 | 134.0° | 140.9° |
| O4' | C1' | N9 | C2' | 110.1° | 114.2° |
| O4' | C1' | N9 | H2 | 121.2° | 123.0° |
| C1' | O4' | C4' | C3' | 47.2° | 26.5° |
| O4' | C1' | C2' | H2 | 117.8° | 118.4° |
| O4' | C1' | C2' | C3' | 45.7° | 37.0° |
| O4' | C1' | C2' | O2' | 158.4° | 155.2° |
| O4' | C1' | C2' | H3 | 74.3° | 81.3° |
| C1' | O4' | C4' | H5 | 66.4° | 92.9° |
| N1 | C2 | N3 | C4 | 0.6° | 0.2° |
| N1 | C2 | N3 | H1 | 180.0° | 179.7° |
| N9 | C4 | N3 | C2 | 179.2° | 180.0° |
| C4 | N9 | C1' | C2' | 116.0° | 105.0° |
| C4 | N9 | C1' | H2 | 12.7° | 17.9° |
| N3 | C4 | N9 | C1' | 1.3° | 0.0° |
| C4 | N3 | C2 | H1 | 179.4° | 180.0° |
| N9 | C1' | C2' | H2 | 129.3° | 122.8° |
| N9 | C1' | C2' | C3' | 158.5° | 155.7° |
| N9 | C1' | C2' | O2' | 88.8° | 86.0° |
| N9 | C1' | C2' | H3 | 38.5° | 37.5° |
| C4' | C3' | C2' | C1' | 17.0° | 20.8° |
| C4' | C3' | C2' | O3' | 111.7° | 118.6° |
| C4' | C3' | C2' | H4 | 121.0° | 118.8° |
| C4' | C3' | O3' | H4 | 124.8° | 122.7° |
| C4' | C3' | C2' | O2' | 127.4° | 139.1° |
| C4' | C3' | C2' | H3 | 103.2° | 97.3° |
| C3' | C4' | C5' | H6 | 68.1° | 55.0° |
| C3' | C4' | C5' | H7 | 172.7° | 65.0° |
| C4' | C3' | O3' | H14 | 180.0° | 65.3° |
| C1' | C2' | C3' | O2' | 110.4° | 118.2° |
| C1' | C2' | C3' | H3 | 120.2° | 118.2° |
| C1' | C2' | C3' | O3' | 94.7° | 97.8° |
| C1' | C2' | O2' | H3 | 125.9° | 123.6° |
| C1' | C2' | C3' | H4 | 138.0° | 139.6° |
| C1' | C2' | O2' | H13 | 180.0° | 180.0° |
| C2' | C3' | O3' | H4 | 126.2° | 122.5° |
| C3' | C2' | O2' | H3 | 128.1° | 123.7° |
| C3' | C2' | C1' | H2 | 72.2° | 81.5° |
| C2' | C3' | C4' | H5 | 99.1° | 117.4° |
| C3' | C2' | O2' | H13 | 74.1° | 67.2° |
| C2' | C3' | O3' | H14 | 71.0° | 180.0° |
| O3' | C3' | C2' | O2' | 15.7° | 20.4° |
| O3' | C3' | C2' | H3 | 145.2° | 144.0° |
| O3' | C3' | C4' | H5 | 13.7° | 1.2° |
| O2' | C2' | C1' | H2 | 40.5° | 36.8° |
| O2' | C2' | C3' | H4 | 111.6° | 102.1° |
| H2 | C1' | C2' | H3 | 167.8° | 160.3° |
| H3 | C2' | C3' | H4 | 17.8° | 21.5° |
| H3 | C2' | O2' | H13 | 54.1° | 56.5° |
| H4 | C3' | C4' | H5 | 139.8° | 123.9° |
| H4 | C3' | O3' | H14 | 55.2° | 57.4° |
| H5 | C4' | C5' | H6 | 54.1° | 66.0° |
| H5 | C4' | C5' | H7 | 65.0° | 174.0° |
