J0X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O8 | C7 | doub | 1.21Å | 1.24Å | |
| O9 | C7 | sing | 1.34Å | 1.24Å | |
| C7 | C8 | sing | 1.51Å | 1.54Å | |
| C8 | N4 | sing | 1.47Å | 1.44Å | |
| N4 | C4 | sing | 1.38Å | 1.48Å | |
| C4 | C5 | sing | 1.41Å | 1.37Å | |
| C4 | N3 | doub | 1.33Å | 1.34Å | |
| C5 | C6 | doub | 1.35Å | 1.39Å | |
| N3 | C2 | sing | 1.33Å | 1.30Å | |
| C6 | N1 | sing | 1.36Å | 1.32Å | |
| C2 | N1 | sing | 1.34Å | 1.34Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| OP1 | P | doub | 1.48Å | 1.49Å | |
| N1 | C1' | sing | 1.47Å | 1.44Å | |
| P | OP2 | sing | 1.61Å | 1.49Å | |
| P | O5' | sing | 1.61Å | 1.64Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C1' | C2' | sing | 1.54Å | 1.54Å | |
| C1' | O4' | sing | 1.44Å | 1.31Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| O4' | C4' | sing | 1.44Å | 1.61Å | |
| C5' | C4' | sing | 1.53Å | 1.55Å | |
| C4' | C3' | sing | 1.55Å | 1.32Å | |
| C3' | O3' | sing | 1.43Å | 1.48Å | |
| C1' | H1 | sing | 1.09Å | 1.10Å | |
| C2' | 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 | 1.08Å | 1.08Å | |
| C5' | H7 | sing | 1.09Å | 1.10Å | |
| C5' | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| N4 | H12 | sing | 0.97Å | 1.00Å | |
| O3' | H13 | sing | 0.97Å | 0.95Å | |
| O9 | H14 | sing | 0.97Å | 0.95Å | |
| OP2 | H16 | sing | 0.97Å | 0.95Å | |
| P | OP3 | sing | 1.61Å | 1.60Å | |
| OP3 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O8 | C7 | O9 | 120.7° | 120.0° |
| O8 | C7 | C8 | 120.6° | 120.0° |
| O9 | C7 | C8 | 118.7° | 120.0° |
| C7 | O9 | H14 | 109.5° | 117.0° |
| C7 | C8 | N4 | 104.7° | 109.5° |
| C7 | C8 | H10 | 110.7° | 109.5° |
| C7 | C8 | H11 | 110.7° | 109.5° |
| C8 | N4 | C4 | 117.0° | 120.0° |
| N4 | C8 | H10 | 110.6° | 109.5° |
| N4 | C8 | H11 | 110.6° | 109.5° |
| C8 | N4 | H12 | 121.5° | 120.0° |
| N4 | C4 | C5 | 118.4° | 120.2° |
| N4 | C4 | N3 | 120.5° | 120.2° |
| C4 | N4 | H12 | 121.5° | 120.0° |
| C5 | C4 | N3 | 121.1° | 119.6° |
| C4 | C5 | C6 | 116.8° | 119.0° |
| C4 | C5 | H6 | 121.6° | 120.6° |
| C4 | N3 | C2 | 120.8° | 120.7° |
| C5 | C6 | N1 | 119.6° | 119.2° |
| C6 | C5 | H6 | 121.6° | 120.4° |
| C5 | C6 | H9 | 120.2° | 120.4° |
| N3 | C2 | N1 | 120.0° | 121.1° |
| N3 | C2 | O2 | 118.8° | 119.5° |
| C6 | N1 | C2 | 121.7° | 120.4° |
| C6 | N1 | C1' | 117.2° | 119.8° |
| N1 | C6 | H9 | 120.2° | 120.4° |
| N1 | C2 | O2 | 121.1° | 119.5° |
| C2 | N1 | C1' | 121.1° | 119.8° |
| OP1 | P | OP2 | 114.8° | 109.5° |
| OP1 | P | O5' | 107.4° | 109.5° |
| OP1 | P | OP3 | 107.1° | 109.5° |
| N1 | C1' | C2' | 110.9° | 109.8° |
| N1 | C1' | O4' | 108.0° | 109.9° |
| N1 | C1' | H1 | 110.3° | 110.0° |
| OP2 | P | O5' | 111.1° | 109.5° |
| P | OP2 | H16 | 109.5° | 114.0° |
| OP2 | P | OP3 | 110.3° | 109.4° |
| P | O5' | C5' | 114.2° | 123.0° |
| O5' | P | OP3 | 105.8° | 109.5° |
| O5' | C5' | C4' | 111.5° | 109.5° |
| O5' | C5' | H7 | 109.0° | 109.5° |
| O5' | C5' | H8 | 109.0° | 109.5° |
| C2' | C1' | O4' | 106.0° | 107.3° |
| C1' | C2' | C3' | 101.1° | 104.2° |
| C2' | C1' | H1 | 109.0° | 109.9° |
| C1' | C2' | H2 | 111.5° | 110.5° |
| C1' | C2' | H3 | 111.5° | 110.5° |
| C1' | O4' | C4' | 106.0° | 107.0° |
| O4' | C1' | H1 | 112.5° | 109.9° |
| C2' | C3' | C4' | 103.4° | 102.1° |
| C2' | C3' | O3' | 102.9° | 110.9° |
| C3' | C2' | H2 | 111.5° | 110.4° |
| C3' | C2' | H3 | 111.5° | 110.4° |
| C2' | C3' | H4 | 111.7° | 110.9° |
| O4' | C4' | C5' | 107.5° | 110.8° |
| O4' | C4' | C3' | 107.5° | 103.5° |
| O4' | C4' | H5 | 107.4° | 110.6° |
| C5' | C4' | C3' | 114.8° | 110.6° |
| C5' | C4' | H5 | 108.1° | 110.5° |
| C4' | C5' | H7 | 108.9° | 109.4° |
| C4' | C5' | H8 | 109.0° | 109.5° |
| C4' | C3' | O3' | 110.0° | 110.9° |
| C4' | C3' | H4 | 115.4° | 110.9° |
| C3' | C4' | H5 | 111.3° | 110.6° |
| O3' | C3' | H4 | 112.4° | 110.9° |
| C3' | O3' | H13 | 109.5° | 114.0° |
| H2 | C2' | H3 | 109.5° | 110.5° |
| H7 | C5' | H8 | 109.5° | 109.4° |
| H10 | C8 | H11 | 109.5° | 109.4° |
| P | OP3 | H15 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O8 | C7 | O9 | C8 | 179.5° | 180.0° |
| O8 | C7 | C8 | N4 | 175.9° | 0.0° |
| O8 | C7 | C8 | H10 | 64.8° | 120.0° |
| O8 | C7 | C8 | H11 | 56.7° | 120.0° |
| O8 | C7 | O9 | H14 | 0.0° | 0.0° |
| O9 | C7 | C8 | N4 | 3.6° | 180.0° |
| O9 | C7 | C8 | H10 | 115.7° | 60.0° |
| O9 | C7 | C8 | H11 | 122.8° | 60.0° |
| C7 | C8 | N4 | H10 | 119.3° | 120.0° |
| C7 | C8 | N4 | H11 | 119.3° | 120.0° |
| C7 | C8 | N4 | C4 | 173.8° | 180.0° |
| C7 | C8 | H10 | H11 | 122.2° | 120.0° |
| C7 | C8 | N4 | H12 | 6.2° | 0.0° |
| C8 | C7 | O9 | H14 | 179.5° | 179.9° |
| C8 | N4 | C4 | H12 | 180.0° | 180.0° |
| C8 | N4 | C4 | C5 | 3.7° | 180.0° |
| C8 | N4 | C4 | N3 | 175.9° | 0.2° |
| N4 | C8 | H10 | H11 | 122.2° | 120.0° |
| N4 | C4 | C5 | N3 | 179.5° | 179.9° |
| N4 | C4 | C5 | C6 | 179.4° | 180.0° |
| N4 | C4 | N3 | C2 | 179.4° | 179.8° |
| N4 | C4 | C5 | H6 | 0.6° | 0.2° |
| C4 | N4 | C8 | H10 | 66.9° | 60.0° |
| C4 | N4 | C8 | H11 | 54.6° | 59.9° |
| C4 | C5 | C6 | H6 | 180.0° | 179.8° |
| C5 | C4 | N3 | C2 | 1.1° | 0.1° |
| C4 | C5 | C6 | N1 | 1.0° | 0.4° |
| C4 | C5 | C6 | H9 | 179.0° | 180.0° |
| C5 | C4 | N4 | H12 | 176.3° | 0.0° |
| N3 | C4 | C5 | C6 | 1.1° | 0.2° |
| C4 | N3 | C2 | N1 | 1.0° | 0.0° |
| C4 | N3 | C2 | O2 | 179.3° | 179.6° |
| N3 | C4 | C5 | H6 | 178.9° | 180.0° |
| N3 | C4 | N4 | H12 | 4.1° | 179.8° |
| C5 | C6 | N1 | H9 | 180.0° | 179.5° |
| C5 | C6 | N1 | C2 | 1.0° | 0.5° |
| C5 | C6 | N1 | C1' | 180.0° | 179.5° |
| N3 | C2 | N1 | C6 | 1.0° | 0.3° |
| N3 | C2 | N1 | O2 | 179.7° | 179.7° |
| N3 | C2 | N1 | C1' | 179.9° | 179.8° |
| C6 | N1 | C2 | C1' | 179.0° | 180.0° |
| C6 | N1 | C2 | O2 | 179.3° | 179.9° |
| C6 | N1 | C1' | C2' | 78.1° | 115.0° |
| C6 | N1 | C1' | O4' | 37.6° | 127.1° |
| C6 | N1 | C1' | H1 | 161.0° | 6.1° |
| N1 | C6 | C5 | H6 | 179.0° | 179.8° |
| C2 | N1 | C1' | C2' | 102.8° | 65.0° |
| C2 | N1 | C1' | O4' | 141.4° | 52.9° |
| C2 | N1 | C1' | H1 | 18.0° | 173.9° |
| C2 | N1 | C6 | H9 | 179.0° | 180.0° |
| O2 | C2 | N1 | C1' | 0.3° | 0.1° |
| OP1 | P | OP2 | O5' | 122.0° | 120.0° |
| OP1 | P | OP2 | OP3 | 121.0° | 120.0° |
| OP1 | P | O5' | OP3 | 114.1° | 120.0° |
| OP1 | P | O5' | C5' | 67.1° | 55.0° |
| OP1 | P | OP2 | H16 | 0.0° | 180.0° |
| OP1 | P | OP3 | H15 | 0.0° | 60.0° |
| N1 | C1' | C2' | O4' | 117.0° | 119.4° |
| N1 | C1' | C2' | H1 | 121.7° | 121.1° |
| N1 | C1' | O4' | H1 | 122.1° | 121.1° |
| N1 | C1' | C2' | C3' | 153.4° | 121.5° |
| N1 | C1' | O4' | C4' | 138.8° | 145.9° |
| N1 | C1' | C2' | H2 | 88.0° | 119.9° |
| N1 | C1' | C2' | H3 | 34.8° | 2.8° |
| C1' | N1 | C6 | H9 | 0.0° | 0.0° |
| OP2 | P | O5' | OP3 | 119.6° | 120.0° |
| OP2 | P | O5' | C5' | 59.1° | 65.0° |
| OP2 | P | OP3 | H15 | 125.5° | 60.0° |
| P | O5' | C5' | C4' | 154.9° | 180.0° |
| P | O5' | C5' | H7 | 84.8° | 60.0° |
| P | O5' | C5' | H8 | 34.6° | 60.0° |
| O5' | P | OP2 | H16 | 122.0° | 60.0° |
| O5' | P | OP3 | H15 | 114.3° | 180.0° |
| O5' | C5' | C4' | O4' | 83.8° | 70.8° |
| O5' | C5' | C4' | H7 | 120.3° | 120.1° |
| O5' | C5' | C4' | H8 | 120.3° | 120.0° |
| O5' | C5' | C4' | C3' | 35.8° | 175.0° |
| O5' | C5' | C4' | H5 | 160.6° | 52.1° |
| O5' | C5' | H7 | H8 | 119.1° | 120.0° |
| C5' | O5' | P | OP3 | 178.8° | 175.0° |
| C2' | C1' | O4' | H1 | 119.0° | 119.4° |
| C1' | C2' | C3' | H2 | 118.6° | 118.7° |
| C1' | C2' | C3' | H3 | 118.6° | 118.7° |
| C2' | C1' | O4' | C4' | 19.9° | 26.5° |
| C1' | C2' | C3' | C4' | 39.2° | 20.9° |
| C1' | C2' | C3' | O3' | 75.4° | 139.0° |
| C1' | C2' | H2 | H3 | 123.9° | 122.7° |
| C1' | C2' | C3' | H4 | 163.8° | 97.3° |
| O4' | C1' | C2' | C3' | 36.4° | 2.0° |
| C1' | O4' | C4' | C5' | 118.5° | 158.6° |
| C1' | O4' | C4' | C3' | 5.5° | 40.0° |
| O4' | C1' | C2' | H2 | 155.0° | 120.7° |
| O4' | C1' | C2' | H3 | 82.2° | 116.6° |
| C1' | O4' | C4' | H5 | 125.4° | 78.5° |
| C2' | C3' | C4' | O4' | 28.1° | 37.0° |
| C2' | C3' | C4' | C5' | 91.4° | 155.7° |
| C2' | C3' | C4' | O3' | 109.3° | 118.2° |
| C2' | C3' | C4' | H4 | 122.2° | 118.2° |
| C2' | C3' | O3' | H4 | 120.3° | 123.7° |
| C3' | C2' | C1' | H1 | 84.9° | 117.4° |
| C3' | C2' | H2 | H3 | 123.9° | 122.5° |
| C2' | C3' | C4' | H5 | 145.5° | 81.5° |
| C2' | C3' | O3' | H13 | 180.0° | 61.5° |
| O4' | C4' | C5' | C3' | 119.5° | 114.2° |
| O4' | C4' | C5' | H5 | 115.6° | 122.9° |
| O4' | C4' | C3' | H5 | 117.3° | 118.5° |
| O4' | C4' | C3' | O3' | 81.2° | 155.2° |
| C4' | O4' | C1' | H1 | 99.1° | 93.0° |
| O4' | C4' | C3' | H4 | 150.4° | 81.2° |
| O4' | C4' | C5' | H7 | 155.9° | 169.1° |
| O4' | C4' | C5' | H8 | 36.6° | 49.2° |
| C5' | C4' | C3' | H5 | 123.1° | 122.8° |
| C5' | C4' | C3' | O3' | 159.3° | 86.1° |
| C5' | C4' | C3' | H4 | 30.8° | 37.5° |
| C4' | C5' | H7 | H8 | 119.1° | 119.9° |
| C4' | C3' | O3' | H4 | 130.0° | 123.6° |
| C4' | C3' | C2' | H2 | 157.8° | 97.8° |
| C4' | C3' | C2' | H3 | 79.5° | 139.6° |
| C3' | C4' | C5' | H7 | 84.5° | 55.0° |
| C3' | C4' | C5' | H8 | 156.1° | 65.0° |
| C4' | C3' | O3' | H13 | 70.4° | 174.2° |
| O3' | C3' | C2' | H2 | 43.2° | 20.3° |
| O3' | C3' | C2' | H3 | 166.0° | 102.3° |
| O3' | C3' | C4' | H5 | 36.2° | 36.7° |
| H1 | C1' | C2' | H2 | 33.7° | 1.2° |
| H1 | C1' | C2' | H3 | 156.5° | 123.9° |
| H2 | C2' | C3' | H4 | 77.6° | 144.0° |
| H3 | C2' | C3' | H4 | 45.2° | 21.4° |
| H4 | C3' | C4' | H5 | 92.3° | 160.3° |
| H4 | C3' | O3' | H13 | 59.7° | 62.2° |
| H5 | C4' | C5' | H7 | 40.3° | 67.9° |
| H5 | C4' | C5' | H8 | 79.1° | 172.1° |
| H6 | C5 | C6 | H9 | 1.0° | 0.2° |
| H10 | C8 | N4 | H12 | 113.1° | 120.0° |
| H11 | C8 | N4 | H12 | 125.4° | 120.0° |
| H16 | OP2 | P | OP3 | 121.0° | 60.0° |
