EWC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N7 | C8 | sing | 1.34Å | 1.35Å | |
| N7 | C5 | sing | 1.35Å | 1.33Å | |
| O23 | C8 | doub | 1.22Å | 1.28Å | |
| O24 | C5 | doub | 1.21Å | 1.28Å | |
| C8 | N9 | sing | 1.35Å | 1.33Å | |
| C5 | C4 | sing | 1.50Å | 1.49Å | |
| O6 | C6 | doub | 1.22Å | 1.31Å | |
| N9 | C4 | sing | 1.46Å | 1.49Å | |
| N9 | C1' | sing | 1.47Å | 1.50Å | |
| C4 | C6 | sing | 1.51Å | 1.50Å | |
| C4 | N3 | sing | 1.46Å | 1.45Å | |
| C6 | N1 | sing | 1.33Å | 1.36Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| C1' | C2' | sing | 1.54Å | 1.52Å | |
| N3 | C2 | sing | 1.36Å | 1.35Å | |
| O4' | C4' | sing | 1.44Å | 1.41Å | |
| N1 | C2 | doub | 1.32Å | 1.37Å | |
| C2 | N2 | sing | 1.36Å | 1.36Å | |
| C2' | C3' | sing | 1.55Å | 1.51Å | |
| O3' | C3' | sing | 1.43Å | 1.41Å | |
| C4' | C3' | sing | 1.55Å | 1.52Å | |
| C4' | C5' | sing | 1.53Å | 1.50Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| OP2 | P | doub | 1.48Å | 1.50Å | |
| O5' | P | sing | 1.61Å | 1.59Å | |
| P | OP1 | sing | 1.61Å | 1.51Å | |
| P | O1 | sing | 1.61Å | 1.61Å | |
| OP1 | H1 | sing | 0.97Å | 0.95Å | |
| C5' | H2 | sing | 1.09Å | 1.10Å | |
| C5' | H3 | sing | 1.09Å | 1.10Å | |
| C4' | H4 | sing | 1.09Å | 1.10Å | |
| C3' | H5 | sing | 1.09Å | 1.10Å | |
| C2' | H6 | sing | 1.09Å | 1.10Å | |
| C2' | H7 | sing | 1.09Å | 1.10Å | |
| C1' | H8 | sing | 1.09Å | 1.10Å | |
| N7 | H9 | sing | 0.97Å | 1.00Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| O3' | H13 | sing | 0.97Å | 0.95Å | |
| O1 | H14 | sing | 0.97Å | 0.95Å | |
| N3 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | N7 | C5 | 103.1° | 111.6° |
| N7 | C8 | O23 | 123.6° | 123.9° |
| N7 | C8 | N9 | 118.2° | 112.3° |
| C8 | N7 | H9 | 128.4° | 124.2° |
| N7 | C5 | O24 | 123.5° | 127.4° |
| N7 | C5 | C4 | 113.5° | 105.2° |
| C5 | N7 | H9 | 128.4° | 124.2° |
| O23 | C8 | N9 | 118.2° | 123.8° |
| O24 | C5 | C4 | 123.0° | 127.4° |
| C8 | N9 | C4 | 104.9° | 106.1° |
| C8 | N9 | C1' | 129.4° | 126.9° |
| C5 | C4 | N9 | 100.2° | 104.7° |
| C5 | C4 | C6 | 110.0° | 111.6° |
| C5 | C4 | N3 | 112.0° | 112.2° |
| O6 | C6 | C4 | 123.2° | 127.2° |
| O6 | C6 | N1 | 124.8° | 127.3° |
| C4 | N9 | C1' | 125.6° | 126.9° |
| N9 | C4 | C6 | 115.7° | 112.0° |
| N9 | C4 | N3 | 117.6° | 112.1° |
| N9 | C1' | O4' | 114.0° | 110.4° |
| N9 | C1' | C2' | 115.9° | 110.4° |
| N9 | C1' | H8 | 106.7° | 110.4° |
| C6 | C4 | N3 | 101.5° | 104.4° |
| C4 | C6 | N1 | 111.9° | 105.4° |
| C4 | N3 | C2 | 106.6° | 105.4° |
| C4 | N3 | H10 | 126.7° | 127.3° |
| C6 | N1 | C2 | 103.3° | 112.5° |
| O4' | C1' | C2' | 105.5° | 104.9° |
| C1' | O4' | C4' | 109.6° | 105.3° |
| O4' | C1' | H8 | 107.7° | 110.4° |
| C1' | C2' | C3' | 101.5° | 104.1° |
| C1' | C2' | H6 | 111.4° | 110.5° |
| C1' | C2' | H7 | 111.4° | 110.7° |
| C2' | C1' | H8 | 106.5° | 110.3° |
| N3 | C2 | N1 | 116.6° | 112.3° |
| N3 | C2 | N2 | 120.2° | 123.9° |
| C2 | N3 | H10 | 126.7° | 127.2° |
| O4' | C4' | C3' | 107.2° | 104.8° |
| O4' | C4' | C5' | 106.8° | 110.4° |
| O4' | C4' | H4 | 110.7° | 110.5° |
| N1 | C2 | N2 | 123.2° | 123.8° |
| C2 | N2 | H11 | 120.0° | 120.0° |
| C2 | N2 | H12 | 120.0° | 120.0° |
| C2' | C3' | O3' | 105.3° | 110.6° |
| C2' | C3' | C4' | 102.1° | 104.0° |
| C2' | C3' | H5 | 112.3° | 110.6° |
| C3' | C2' | H6 | 111.4° | 110.5° |
| C3' | C2' | H7 | 111.4° | 110.5° |
| O3' | C3' | C4' | 110.2° | 110.5° |
| O3' | C3' | H5 | 113.9° | 110.5° |
| C3' | O3' | H13 | 109.5° | 114.0° |
| C3' | C4' | C5' | 113.2° | 110.3° |
| C3' | C4' | H4 | 109.3° | 110.4° |
| C4' | C3' | H5 | 112.2° | 110.4° |
| C4' | C5' | O5' | 108.7° | 109.4° |
| C4' | C5' | H2 | 109.6° | 109.5° |
| C4' | C5' | H3 | 109.7° | 109.4° |
| C5' | C4' | H4 | 109.5° | 110.3° |
| C5' | O5' | P | 119.4° | 122.9° |
| O5' | C5' | H2 | 109.7° | 109.5° |
| O5' | C5' | H3 | 109.7° | 109.5° |
| OP2 | P | O5' | 113.1° | 109.5° |
| OP2 | P | OP1 | 113.2° | 109.5° |
| OP2 | P | O1 | 107.5° | 109.5° |
| O5' | P | OP1 | 108.6° | 109.5° |
| O5' | P | O1 | 103.3° | 109.4° |
| OP1 | P | O1 | 110.7° | 109.5° |
| P | OP1 | H1 | 109.5° | 114.0° |
| P | O1 | H14 | 109.5° | 114.0° |
| H2 | C5' | H3 | 109.5° | 109.5° |
| H6 | C2' | H7 | 109.5° | 110.5° |
| H11 | N2 | H12 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | N7 | C5 | H9 | 180.0° | 180.0° |
| N7 | C8 | O23 | N9 | 178.6° | 180.0° |
| C8 | N7 | C5 | O24 | 179.5° | 180.0° |
| C8 | N7 | C5 | C4 | 0.4° | 0.0° |
| N7 | C8 | N9 | C4 | 2.1° | 0.0° |
| N7 | C8 | N9 | C1' | 180.0° | 179.7° |
| C5 | N7 | C8 | O23 | 179.8° | 180.0° |
| N7 | C5 | O24 | C4 | 179.0° | 179.9° |
| C5 | N7 | C8 | N9 | 1.1° | 0.0° |
| N7 | C5 | C4 | N9 | 1.5° | 0.1° |
| N7 | C5 | C4 | C6 | 120.8° | 121.4° |
| N7 | C5 | C4 | N3 | 127.0° | 121.8° |
| O23 | C8 | N9 | C4 | 179.2° | 180.0° |
| O23 | C8 | N9 | C1' | 1.3° | 0.2° |
| O23 | C8 | N7 | H9 | 0.3° | 0.0° |
| O24 | C5 | C4 | N9 | 179.4° | 180.0° |
| O24 | C5 | C4 | C6 | 58.2° | 58.7° |
| O24 | C5 | C4 | N3 | 53.9° | 58.1° |
| O24 | C5 | N7 | H9 | 0.5° | 0.0° |
| C8 | N9 | C4 | C5 | 2.0° | 0.0° |
| C8 | N9 | C4 | C1' | 178.0° | 179.8° |
| C8 | N9 | C4 | C6 | 116.2° | 121.2° |
| C8 | N9 | C4 | N3 | 123.6° | 121.9° |
| C8 | N9 | C1' | O4' | 123.6° | 53.9° |
| C8 | N9 | C1' | C2' | 113.7° | 61.6° |
| C8 | N9 | C1' | H8 | 4.8° | 176.2° |
| N9 | C8 | N7 | H9 | 178.9° | 180.0° |
| C5 | C4 | C6 | O6 | 61.3° | 58.6° |
| C5 | C4 | N9 | C6 | 118.2° | 121.2° |
| C5 | C4 | N9 | N3 | 121.6° | 121.9° |
| C5 | C4 | N9 | C1' | 179.9° | 179.7° |
| C5 | C4 | C6 | N3 | 118.8° | 121.4° |
| C5 | C4 | C6 | N1 | 118.8° | 121.4° |
| C5 | C4 | N3 | C2 | 117.2° | 121.1° |
| C4 | C5 | N7 | H9 | 179.6° | 180.0° |
| C5 | C4 | N3 | H10 | 62.8° | 58.9° |
| O6 | C6 | C4 | N9 | 51.3° | 58.5° |
| O6 | C6 | C4 | N1 | 179.9° | 180.0° |
| O6 | C6 | C4 | N3 | 179.9° | 180.0° |
| O6 | C6 | N1 | C2 | 180.0° | 180.0° |
| N9 | C4 | C6 | N3 | 128.6° | 121.5° |
| N9 | C4 | C6 | N1 | 128.6° | 121.5° |
| C4 | N9 | C1' | O4' | 53.9° | 126.4° |
| C4 | N9 | C1' | C2' | 68.9° | 118.1° |
| N9 | C4 | N3 | C2 | 127.5° | 121.4° |
| C4 | N9 | C1' | H8 | 172.7° | 4.1° |
| N9 | C4 | N3 | H10 | 52.5° | 58.6° |
| C1' | N9 | C4 | C6 | 61.7° | 58.6° |
| C1' | N9 | C4 | N3 | 58.4° | 58.4° |
| N9 | C1' | O4' | C2' | 128.3° | 118.9° |
| N9 | C1' | O4' | H8 | 118.3° | 122.3° |
| N9 | C1' | C2' | H8 | 118.5° | 122.3° |
| N9 | C1' | O4' | C4' | 146.5° | 159.4° |
| N9 | C1' | C2' | C3' | 161.3° | 142.8° |
| N9 | C1' | C2' | H6 | 80.0° | 24.2° |
| N9 | C1' | C2' | H7 | 42.6° | 98.5° |
| C6 | C4 | N3 | C2 | 0.1° | 0.1° |
| C4 | C6 | N1 | C2 | 0.1° | 0.0° |
| C6 | C4 | N3 | H10 | 179.9° | 180.0° |
| N3 | C4 | C6 | N1 | 0.0° | 0.0° |
| C4 | N3 | C2 | H10 | 180.0° | 180.0° |
| C4 | N3 | C2 | N1 | 0.2° | 0.0° |
| C4 | N3 | C2 | N2 | 179.6° | 180.0° |
| C6 | N1 | C2 | N3 | 0.2° | 0.0° |
| C6 | N1 | C2 | N2 | 179.6° | 179.9° |
| O4' | C1' | C2' | H8 | 114.3° | 118.9° |
| O4' | C1' | C2' | C3' | 34.1° | 23.9° |
| C1' | O4' | C4' | C3' | 5.4° | 40.5° |
| C1' | O4' | C4' | C5' | 116.3° | 159.3° |
| C1' | O4' | C4' | H4 | 124.6° | 78.4° |
| O4' | C1' | C2' | H6 | 152.8° | 94.6° |
| O4' | C1' | C2' | H7 | 84.5° | 142.6° |
| C2' | C1' | O4' | C4' | 18.2° | 40.5° |
| C1' | C2' | C3' | H6 | 118.7° | 118.6° |
| C1' | C2' | C3' | H7 | 118.7° | 118.8° |
| C1' | C2' | C3' | O3' | 79.1° | 118.7° |
| C1' | C2' | C3' | C4' | 36.0° | 0.0° |
| C1' | C2' | C3' | H5 | 156.4° | 118.5° |
| C1' | C2' | H6 | H7 | 123.7° | 122.8° |
| N3 | C2 | N1 | N2 | 179.4° | 179.9° |
| N3 | C2 | N2 | H11 | 179.3° | 179.9° |
| N3 | C2 | N2 | H12 | 0.6° | 0.1° |
| O4' | C4' | C3' | C2' | 26.7° | 24.0° |
| O4' | C4' | C3' | O3' | 84.8° | 142.8° |
| O4' | C4' | C3' | C5' | 117.5° | 118.8° |
| O4' | C4' | C3' | H4 | 120.1° | 119.0° |
| O4' | C4' | C5' | H4 | 119.9° | 122.4° |
| O4' | C4' | C5' | O5' | 151.2° | 69.6° |
| O4' | C4' | C5' | H2 | 88.9° | 50.4° |
| O4' | C4' | C5' | H3 | 31.3° | 170.4° |
| O4' | C4' | C3' | H5 | 147.2° | 94.7° |
| C4' | O4' | C1' | H8 | 95.3° | 78.3° |
| N1 | C2 | N2 | H11 | 0.0° | 0.0° |
| N1 | C2 | N2 | H12 | 180.0° | 180.0° |
| N1 | C2 | N3 | H10 | 179.8° | 180.0° |
| C2 | N2 | H11 | H12 | 180.0° | 180.0° |
| N2 | C2 | N3 | H10 | 0.4° | 0.1° |
| C2' | C3' | O3' | C4' | 109.4° | 114.7° |
| C2' | C3' | O3' | H5 | 123.5° | 122.8° |
| C2' | C3' | C4' | H5 | 120.4° | 118.7° |
| C2' | C3' | C4' | C5' | 90.8° | 142.8° |
| C2' | C3' | C4' | H4 | 146.8° | 95.0° |
| C3' | C2' | H6 | H7 | 123.7° | 122.6° |
| C3' | C2' | C1' | H8 | 80.2° | 94.9° |
| C2' | C3' | O3' | H13 | 180.0° | 65.4° |
| O3' | C3' | C4' | H5 | 128.0° | 122.6° |
| O3' | C3' | C4' | C5' | 157.7° | 98.4° |
| O3' | C3' | C4' | H4 | 35.2° | 23.8° |
| O3' | C3' | C2' | H6 | 39.6° | 122.7° |
| O3' | C3' | C2' | H7 | 162.2° | 0.1° |
| C3' | C4' | C5' | H4 | 122.3° | 122.2° |
| C3' | C4' | C5' | O5' | 91.1° | 175.0° |
| C3' | C4' | C5' | H2 | 28.8° | 65.0° |
| C3' | C4' | C5' | H3 | 149.0° | 55.0° |
| C4' | C3' | C2' | H6 | 154.7° | 118.6° |
| C4' | C3' | C2' | H7 | 82.7° | 118.8° |
| C4' | C3' | O3' | H13 | 70.6° | 180.0° |
| C4' | C5' | O5' | H2 | 119.9° | 120.0° |
| C4' | C5' | O5' | H3 | 119.9° | 120.0° |
| C4' | C5' | O5' | P | 118.2° | 180.0° |
| C4' | C5' | H2 | H3 | 120.3° | 120.0° |
| C5' | C4' | C3' | H5 | 29.6° | 24.2° |
| C5' | O5' | P | OP2 | 68.1° | 55.0° |
| C5' | O5' | P | OP1 | 165.3° | 65.0° |
| C5' | O5' | P | O1 | 47.7° | 175.0° |
| O5' | C5' | H2 | H3 | 120.4° | 120.1° |
| O5' | C5' | C4' | H4 | 31.2° | 52.8° |
| OP2 | P | O5' | OP1 | 126.5° | 120.0° |
| OP2 | P | O5' | O1 | 115.9° | 120.0° |
| OP2 | P | OP1 | O1 | 120.8° | 120.0° |
| OP2 | P | OP1 | H1 | 0.0° | 180.0° |
| OP2 | P | O1 | H14 | 0.0° | 60.0° |
| O5' | P | OP1 | O1 | 112.8° | 119.9° |
| O5' | P | OP1 | H1 | 126.5° | 60.0° |
| P | O5' | C5' | H2 | 122.0° | 60.0° |
| P | O5' | C5' | H3 | 1.7° | 60.0° |
| O5' | P | O1 | H14 | 119.9° | 180.0° |
| OP1 | P | O1 | H14 | 124.1° | 60.0° |
| O1 | P | OP1 | H1 | 120.8° | 59.9° |
| H2 | C5' | C4' | H4 | 151.1° | 172.8° |
| H3 | C5' | C4' | H4 | 88.7° | 67.2° |
| H4 | C4' | C3' | H5 | 92.8° | 146.4° |
| H5 | C3' | C2' | H6 | 84.9° | 0.1° |
| H5 | C3' | C2' | H7 | 37.7° | 122.6° |
| H5 | C3' | O3' | H13 | 56.5° | 57.4° |
| H6 | C2' | C1' | H8 | 38.5° | 146.5° |
| H7 | C2' | C1' | H8 | 161.2° | 23.8° |
