SDH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP2 | P | sing | 1.72Å | 1.48Å | |
| P | O5' | sing | 1.72Å | 1.62Å | |
| P | OP1 | sing | 1.72Å | 1.59Å | |
| O5' | C5' | sing | 1.43Å | 1.39Å | |
| C5' | C4' | sing | 1.53Å | 1.55Å | |
| O3' | C3' | sing | 1.43Å | 1.39Å | |
| C4' | C3' | sing | 1.54Å | 1.55Å | |
| C4' | O4' | sing | 1.44Å | 1.41Å | |
| C3' | C2' | sing | 1.54Å | 1.53Å | |
| O4' | C1' | sing | 1.44Å | 1.40Å | |
| C2' | C1' | sing | 1.54Å | 1.53Å | |
| C1' | N9 | sing | 1.47Å | 1.48Å | |
| O6 | C6 | doub | 1.22Å | 1.20Å | |
| C6 | N1 | sing | 1.33Å | 1.42Å | |
| C6 | C4 | sing | 1.51Å | 1.57Å | |
| N9 | C4 | sing | 1.46Å | 1.47Å | |
| N9 | C8 | sing | 1.35Å | 1.41Å | |
| N1 | C2 | doub | 1.32Å | 1.37Å | |
| O8 | C8 | doub | 1.22Å | 1.22Å | |
| C2 | N2 | sing | 1.36Å | 1.36Å | |
| C2 | N3 | sing | 1.36Å | 1.43Å | |
| C4 | N3 | sing | 1.46Å | 1.48Å | |
| C4 | C5 | sing | 1.51Å | 1.55Å | |
| C8 | N7 | sing | 1.34Å | 1.44Å | |
| C5 | N7 | sing | 1.35Å | 1.39Å | |
| C5 | O5 | doub | 1.21Å | 1.21Å | |
| OP1 | H1 | sing | 0.97Å | 0.95Å | |
| OP2 | H2 | sing | 0.97Å | 0.95Å | |
| N7 | H3 | sing | 0.97Å | 1.00Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| N3 | H6 | sing | 0.97Å | 1.00Å | |
| C2' | H7 | sing | 1.09Å | 1.10Å | |
| C2' | H8 | sing | 1.09Å | 1.10Å | |
| C5' | H9 | sing | 1.09Å | 1.10Å | |
| C5' | H10 | sing | 1.09Å | 1.10Å | |
| C4' | H11 | sing | 1.09Å | 1.10Å | |
| C1' | H12 | sing | 1.09Å | 1.10Å | |
| C3' | H13 | sing | 1.09Å | 1.10Å | |
| O3' | H14 | sing | 0.97Å | 0.95Å | |
| P | OP3 | sing | 1.72Å | 22.35Å | |
| P | H15 | sing | 1.47Å | 22.35Å | |
| OP3 | H16 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP2 | P | O5' | 115.2° | 90.0° |
| OP2 | P | OP1 | 112.2° | 90.0° |
| P | OP2 | H2 | 109.5° | 114.0° |
| OP2 | P | OP3 | 93.4° | 120.0° |
| OP2 | P | H15 | 93.4° | 120.0° |
| O5' | P | OP1 | 105.5° | 179.9° |
| P | O5' | C5' | 121.8° | 114.0° |
| O5' | P | OP3 | 66.6° | 90.0° |
| O5' | P | H15 | 66.6° | 90.0° |
| P | OP1 | H1 | 109.5° | 114.0° |
| OP1 | P | OP3 | 56.6° | 90.0° |
| OP1 | P | H15 | 56.6° | 90.0° |
| O5' | C5' | C4' | 109.8° | 109.5° |
| O5' | C5' | H9 | 109.4° | 109.5° |
| O5' | C5' | H10 | 109.4° | 109.5° |
| C5' | C4' | C3' | 112.2° | 110.4° |
| C5' | C4' | O4' | 110.8° | 110.4° |
| C4' | C5' | H9 | 109.4° | 109.4° |
| C4' | C5' | H10 | 109.4° | 109.5° |
| C5' | C4' | H11 | 108.7° | 110.3° |
| O3' | C3' | C4' | 107.2° | 110.5° |
| O3' | C3' | C2' | 108.1° | 110.5° |
| O3' | C3' | H13 | 114.5° | 110.5° |
| C3' | O3' | H14 | 109.5° | 114.0° |
| C3' | C4' | O4' | 105.8° | 104.8° |
| C4' | C3' | C2' | 102.4° | 104.1° |
| C3' | C4' | H11 | 108.6° | 110.4° |
| C4' | C3' | H13 | 111.7° | 110.5° |
| C4' | O4' | C1' | 111.8° | 105.3° |
| O4' | C4' | H11 | 110.6° | 110.5° |
| C3' | C2' | C1' | 101.3° | 104.1° |
| C3' | C2' | H7 | 111.5° | 110.5° |
| C3' | C2' | H8 | 111.5° | 110.6° |
| C2' | C3' | H13 | 112.1° | 110.5° |
| O4' | C1' | C2' | 107.3° | 104.8° |
| O4' | C1' | N9 | 113.6° | 110.4° |
| O4' | C1' | H12 | 107.1° | 110.4° |
| C2' | C1' | N9 | 116.2° | 110.4° |
| C1' | C2' | H7 | 111.5° | 110.6° |
| C1' | C2' | H8 | 111.5° | 110.5° |
| C2' | C1' | H12 | 105.6° | 110.3° |
| C1' | N9 | C4 | 123.9° | 126.9° |
| C1' | N9 | C8 | 127.7° | 127.0° |
| N9 | C1' | H12 | 106.3° | 110.4° |
| O6 | C6 | N1 | 129.0° | 127.2° |
| O6 | C6 | C4 | 122.5° | 127.3° |
| N1 | C6 | C4 | 108.5° | 105.5° |
| C6 | N1 | C2 | 106.4° | 112.4° |
| C6 | C4 | N9 | 119.3° | 112.0° |
| C6 | C4 | N3 | 103.6° | 104.3° |
| C6 | C4 | C5 | 102.1° | 111.8° |
| C4 | N9 | C8 | 108.4° | 106.1° |
| N9 | C4 | N3 | 117.7° | 112.1° |
| N9 | C4 | C5 | 105.0° | 104.7° |
| N9 | C8 | O8 | 127.3° | 123.8° |
| N9 | C8 | N7 | 109.4° | 112.4° |
| N1 | C2 | N2 | 122.8° | 123.9° |
| N1 | C2 | N3 | 116.1° | 112.3° |
| O8 | C8 | N7 | 123.3° | 123.8° |
| N2 | C2 | N3 | 121.1° | 123.8° |
| C2 | N2 | H4 | 120.0° | 120.0° |
| C2 | N2 | H5 | 120.0° | 120.0° |
| C2 | N3 | C4 | 105.5° | 105.4° |
| C2 | N3 | H6 | 127.3° | 127.3° |
| N3 | C4 | C5 | 107.7° | 111.9° |
| C4 | N3 | H6 | 127.3° | 127.3° |
| C4 | C5 | N7 | 106.5° | 105.2° |
| C4 | C5 | O5 | 125.6° | 127.5° |
| C8 | N7 | C5 | 110.8° | 111.5° |
| C8 | N7 | H3 | 124.6° | 124.2° |
| N7 | C5 | O5 | 127.9° | 127.4° |
| C5 | N7 | H3 | 124.6° | 124.3° |
| H4 | N2 | H5 | 120.0° | 120.0° |
| H7 | C2' | H8 | 109.5° | 110.4° |
| H9 | C5' | H10 | 109.5° | 109.5° |
| OP3 | P | H15 | 0.0° | 120.0° |
| P | OP3 | H16 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP2 | P | O5' | OP1 | 124.4° | 25.0° |
| OP2 | P | O5' | OP3 | 82.4° | 120.0° |
| OP2 | P | O5' | H15 | 82.4° | 120.0° |
| OP2 | P | OP1 | OP3 | 78.8° | 120.0° |
| OP2 | P | OP1 | H15 | 78.8° | 120.0° |
| OP2 | P | O5' | C5' | 171.3° | 60.0° |
| OP2 | P | OP1 | H1 | 180.0° | 60.1° |
| OP2 | P | OP3 | H15 | 90.0° | 179.9° |
| OP2 | P | OP3 | H16 | 90.0° | 180.0° |
| O5' | P | OP1 | OP3 | 47.4° | 94.9° |
| O5' | P | OP1 | H15 | 47.4° | 145.0° |
| P | O5' | C5' | C4' | 177.3° | 180.0° |
| O5' | P | OP1 | H1 | 53.8° | 85.1° |
| O5' | P | OP2 | H2 | 180.0° | 90.1° |
| P | O5' | C5' | H9 | 57.3° | 60.0° |
| P | O5' | C5' | H10 | 62.6° | 60.0° |
| O5' | P | OP3 | H15 | 90.0° | 90.0° |
| O5' | P | OP3 | H16 | 90.0° | 90.0° |
| OP1 | P | O5' | C5' | 64.3° | 85.1° |
| OP1 | P | OP2 | H2 | 59.2° | 90.0° |
| OP1 | P | OP3 | H15 | 90.0° | 90.1° |
| OP1 | P | OP3 | H16 | 90.0° | 90.0° |
| O5' | C5' | C4' | H9 | 120.1° | 120.0° |
| O5' | C5' | C4' | H10 | 120.1° | 120.0° |
| O5' | C5' | C4' | C3' | 108.3° | 175.0° |
| O5' | C5' | C4' | O4' | 133.7° | 69.6° |
| O5' | C5' | H9 | H10 | 119.9° | 120.0° |
| O5' | C5' | C4' | H11 | 11.9° | 52.8° |
| C5' | O5' | P | OP3 | 106.3° | 180.0° |
| C5' | O5' | P | H15 | 106.3° | 60.0° |
| C5' | C4' | C3' | O3' | 151.9° | 98.5° |
| C5' | C4' | C3' | O4' | 121.0° | 118.8° |
| C5' | C4' | C3' | H11 | 120.3° | 122.2° |
| C5' | C4' | O4' | H11 | 120.7° | 122.2° |
| C5' | C4' | C3' | C2' | 94.4° | 142.8° |
| C5' | C4' | O4' | C1' | 113.3° | 159.4° |
| C4' | C5' | H9 | H10 | 119.8° | 120.0° |
| C5' | C4' | C3' | H13 | 25.7° | 24.2° |
| O3' | C3' | C4' | C2' | 113.7° | 118.7° |
| O3' | C3' | C4' | H13 | 126.2° | 122.7° |
| O3' | C3' | C4' | O4' | 87.1° | 142.6° |
| O3' | C3' | C2' | H13 | 127.1° | 122.7° |
| O3' | C3' | C2' | C1' | 80.2° | 118.7° |
| O3' | C3' | C2' | H7 | 161.1° | 0.1° |
| O3' | C3' | C2' | H8 | 38.4° | 122.6° |
| O3' | C3' | C4' | H11 | 31.6° | 23.7° |
| C3' | C4' | O4' | H11 | 117.5° | 118.9° |
| C4' | C3' | C2' | H13 | 119.9° | 118.7° |
| C3' | C4' | O4' | C1' | 8.6° | 40.5° |
| C4' | C3' | C2' | C1' | 32.8° | 0.0° |
| C4' | C3' | C2' | H7 | 85.9° | 118.7° |
| C4' | C3' | C2' | H8 | 151.5° | 118.7° |
| C3' | C4' | C5' | H9 | 131.6° | 65.0° |
| C3' | C4' | C5' | H10 | 11.7° | 55.0° |
| C4' | C3' | O3' | H14 | 180.0° | 180.0° |
| O4' | C4' | C3' | C2' | 26.6° | 24.0° |
| C4' | O4' | C1' | C2' | 13.3° | 40.5° |
| C4' | O4' | C1' | N9 | 143.2° | 159.3° |
| O4' | C4' | C5' | H9 | 13.6° | 50.4° |
| O4' | C4' | C5' | H10 | 106.3° | 170.4° |
| C4' | O4' | C1' | H12 | 99.7° | 78.3° |
| O4' | C4' | C3' | H13 | 146.7° | 94.7° |
| C3' | C2' | C1' | O4' | 29.3° | 24.0° |
| C3' | C2' | C1' | H7 | 118.7° | 118.7° |
| C3' | C2' | C1' | H8 | 118.7° | 118.8° |
| C3' | C2' | C1' | N9 | 157.7° | 142.8° |
| C3' | C2' | H7 | H8 | 123.8° | 122.7° |
| C2' | C3' | C4' | H11 | 145.3° | 95.0° |
| C3' | C2' | C1' | H12 | 84.7° | 94.9° |
| C2' | C3' | O3' | H14 | 70.2° | 65.3° |
| O4' | C1' | C2' | N9 | 128.4° | 118.8° |
| O4' | C1' | C2' | H12 | 114.0° | 118.8° |
| O4' | C1' | N9 | H12 | 117.6° | 122.4° |
| O4' | C1' | N9 | C4 | 82.5° | 129.6° |
| O4' | C1' | N9 | C8 | 95.4° | 50.7° |
| O4' | C1' | C2' | H7 | 89.4° | 142.6° |
| O4' | C1' | C2' | H8 | 148.0° | 94.8° |
| C1' | O4' | C4' | H11 | 126.0° | 78.4° |
| C2' | C1' | N9 | H12 | 117.2° | 122.3° |
| C2' | C1' | N9 | C4 | 42.8° | 115.0° |
| C2' | C1' | N9 | C8 | 139.4° | 64.6° |
| C1' | C2' | H7 | H8 | 123.8° | 122.6° |
| C1' | C2' | C3' | H13 | 152.7° | 118.6° |
| C1' | N9 | C4 | C6 | 65.1° | 58.3° |
| C1' | N9 | C4 | C8 | 178.2° | 179.7° |
| C1' | N9 | C8 | O8 | 1.8° | 0.3° |
| C1' | N9 | C4 | N3 | 61.6° | 58.7° |
| C1' | N9 | C4 | C5 | 178.6° | 179.7° |
| C1' | N9 | C8 | N7 | 178.8° | 179.7° |
| N9 | C1' | C2' | H7 | 39.1° | 98.6° |
| N9 | C1' | C2' | H8 | 83.6° | 24.0° |
| O6 | C6 | N1 | C4 | 179.9° | 180.0° |
| O6 | C6 | C4 | N9 | 46.4° | 58.5° |
| O6 | C6 | N1 | C2 | 179.9° | 180.0° |
| O6 | C6 | C4 | N3 | 179.6° | 180.0° |
| O6 | C6 | C4 | C5 | 68.6° | 58.8° |
| N1 | C6 | C4 | N9 | 133.5° | 121.5° |
| C6 | N1 | C2 | N2 | 180.0° | 179.9° |
| C6 | N1 | C2 | N3 | 0.4° | 0.0° |
| N1 | C6 | C4 | N3 | 0.4° | 0.1° |
| N1 | C6 | C4 | C5 | 111.5° | 121.2° |
| C6 | C4 | N9 | N3 | 126.7° | 117.0° |
| C6 | C4 | N9 | C5 | 113.5° | 121.4° |
| C6 | C4 | N9 | C8 | 113.1° | 121.4° |
| C4 | C6 | N1 | C2 | 0.0° | 0.0° |
| C6 | C4 | N3 | C2 | 0.5° | 0.1° |
| C6 | C4 | N3 | C5 | 107.7° | 121.1° |
| C6 | C4 | C5 | N7 | 125.2° | 121.6° |
| C6 | C4 | C5 | O5 | 55.7° | 58.4° |
| C6 | C4 | N3 | H6 | 179.5° | 180.0° |
| C4 | N9 | C8 | O8 | 180.0° | 180.0° |
| N9 | C4 | N3 | C2 | 134.5° | 121.4° |
| N9 | C4 | N3 | C5 | 118.3° | 117.4° |
| C4 | N9 | C8 | N7 | 0.7° | 0.0° |
| N9 | C4 | C5 | N7 | 0.1° | 0.0° |
| N9 | C4 | C5 | O5 | 179.2° | 180.0° |
| N9 | C4 | N3 | H6 | 45.5° | 58.5° |
| C4 | N9 | C1' | H12 | 159.9° | 7.3° |
| N9 | C8 | O8 | N7 | 179.2° | 180.0° |
| C8 | N9 | C4 | N3 | 120.2° | 121.6° |
| C8 | N9 | C4 | C5 | 0.4° | 0.0° |
| N9 | C8 | N7 | C5 | 0.8° | 0.0° |
| N9 | C8 | N7 | H3 | 179.2° | 179.9° |
| C8 | N9 | C1' | H12 | 22.2° | 173.1° |
| N1 | C2 | N2 | N3 | 179.6° | 179.9° |
| N1 | C2 | N3 | C4 | 0.6° | 0.0° |
| N1 | C2 | N2 | H4 | 0.0° | 0.1° |
| N1 | C2 | N2 | H5 | 180.0° | 180.0° |
| N1 | C2 | N3 | H6 | 179.4° | 180.0° |
| O8 | C8 | N7 | C5 | 179.9° | 180.0° |
| O8 | C8 | N7 | H3 | 0.2° | 0.1° |
| N2 | C2 | N3 | C4 | 179.8° | 179.9° |
| C2 | N2 | H4 | H5 | 180.0° | 180.0° |
| N2 | C2 | N3 | H6 | 0.2° | 0.0° |
| C2 | N3 | C4 | H6 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 107.1° | 121.2° |
| N3 | C2 | N2 | H4 | 179.6° | 180.0° |
| N3 | C2 | N2 | H5 | 0.4° | 0.0° |
| N3 | C4 | C5 | N7 | 126.2° | 121.8° |
| N3 | C4 | C5 | O5 | 53.0° | 58.2° |
| C4 | C5 | N7 | C8 | 0.5° | 0.0° |
| C4 | C5 | N7 | O5 | 179.1° | 180.0° |
| C4 | C5 | N7 | H3 | 179.5° | 179.9° |
| C5 | C4 | N3 | H6 | 72.8° | 58.9° |
| C8 | N7 | C5 | H3 | 180.0° | 179.9° |
| C8 | N7 | C5 | O5 | 179.6° | 180.0° |
| O5 | C5 | N7 | H3 | 0.3° | 0.1° |
| H1 | OP1 | P | OP3 | 101.2° | 180.0° |
| H1 | OP1 | P | H15 | 101.2° | 59.9° |
| H2 | OP2 | P | OP3 | 114.3° | 180.0° |
| H2 | OP2 | P | H15 | 114.3° | 0.1° |
| H7 | C2' | C1' | H12 | 156.6° | 23.8° |
| H7 | C2' | C3' | H13 | 34.1° | 122.6° |
| H8 | C2' | C1' | H12 | 33.9° | 146.3° |
| H8 | C2' | C3' | H13 | 88.6° | 0.1° |
| H9 | C5' | C4' | H11 | 108.2° | 172.7° |
| H10 | C5' | C4' | H11 | 131.9° | 67.3° |
| H11 | C4' | C3' | H13 | 94.6° | 146.4° |
| H13 | C3' | O3' | H14 | 55.4° | 57.4° |
| H15 | P | OP3 | H16 | 90.0° | 0.0° |
