JMC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | O2' | sing | 1.43Å | 1.42Å | |
| O2' | C2' | sing | 1.43Å | 1.42Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C1' | C2' | sing | 1.55Å | 1.52Å | |
| C1' | N1 | sing | 1.47Å | 1.48Å | |
| C5' | O5' | sing | 1.43Å | 1.41Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| O3' | C3' | sing | 1.43Å | 1.42Å | |
| O5' | P | sing | 1.61Å | 1.59Å | |
| N1 | C6 | sing | 1.39Å | 1.34Å | |
| N1 | C2 | sing | 1.34Å | 1.41Å | |
| C6 | C5 | doub | 1.32Å | 1.39Å | |
| O2 | C2 | doub | 1.22Å | 1.24Å | |
| OP2 | P | doub | 1.48Å | 1.50Å | |
| C2 | N3 | sing | 1.35Å | 1.39Å | |
| P | OP1 | sing | 1.61Å | 1.50Å | |
| C5 | C4 | sing | 1.51Å | 1.38Å | |
| N3 | C4 | sing | 1.47Å | 1.40Å | |
| N3 | C1 | sing | 1.47Å | 1.46Å | |
| C4 | N4 | sing | 1.47Å | 1.34Å | |
| P | O1 | sing | 1.61Å | 1.60Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1' | H4 | sing | 1.09Å | 1.10Å | |
| C2' | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3' | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C4' | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.08Å | 1.08Å | |
| C5' | H13 | sing | 1.09Å | 1.10Å | |
| C5' | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.08Å | 1.08Å | |
| N4 | H16 | sing | 1.01Å | 1.00Å | |
| N4 | H17 | sing | 1.01Å | 1.00Å | |
| O3' | H19 | sing | 0.97Å | 0.95Å | |
| OP1 | H20 | sing | 0.97Å | 0.95Å | |
| O1 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | O2' | C2' | 110.7° | 114.0° |
| O2' | C3 | H6 | 109.5° | 109.4° |
| O2' | C3 | H7 | 109.5° | 109.4° |
| O2' | C3 | H8 | 109.4° | 109.4° |
| O2' | C2' | C1' | 108.1° | 110.9° |
| O2' | C2' | C3' | 110.9° | 110.9° |
| O2' | C2' | H5 | 112.9° | 110.8° |
| C4' | O4' | C1' | 110.1° | 107.0° |
| O4' | C4' | C5' | 109.3° | 109.9° |
| O4' | C4' | C3' | 104.4° | 107.3° |
| O4' | C4' | H11 | 109.6° | 110.0° |
| O4' | C1' | C2' | 108.1° | 103.5° |
| O4' | C1' | N1 | 110.2° | 110.6° |
| O4' | C1' | H4 | 109.4° | 110.7° |
| C5' | C4' | C3' | 115.8° | 109.8° |
| C4' | C5' | O5' | 111.5° | 109.4° |
| C5' | C4' | H11 | 108.8° | 109.9° |
| C4' | C5' | H13 | 109.0° | 109.4° |
| C4' | C5' | H14 | 108.9° | 109.4° |
| C4' | C3' | C2' | 103.0° | 104.2° |
| C4' | C3' | O3' | 112.4° | 110.6° |
| C4' | C3' | H9 | 108.8° | 110.5° |
| C3' | C4' | H11 | 108.7° | 109.9° |
| C2' | C1' | N1 | 112.9° | 110.6° |
| C1' | C2' | C3' | 102.0° | 102.1° |
| C2' | C1' | H4 | 107.8° | 110.7° |
| C1' | C2' | H5 | 111.2° | 111.0° |
| C1' | N1 | C6 | 115.9° | 118.3° |
| C1' | N1 | C2 | 124.3° | 118.3° |
| N1 | C1' | H4 | 108.4° | 110.5° |
| C5' | O5' | P | 120.8° | 123.0° |
| O5' | C5' | H13 | 108.9° | 109.5° |
| O5' | C5' | H14 | 108.9° | 109.5° |
| C2' | C3' | O3' | 113.2° | 110.4° |
| C3' | C2' | H5 | 111.2° | 110.9° |
| C2' | C3' | H9 | 108.8° | 110.5° |
| O3' | C3' | H9 | 110.3° | 110.5° |
| C3' | O3' | H19 | 109.5° | 113.9° |
| O5' | P | OP2 | 107.5° | 109.5° |
| O5' | P | OP1 | 109.0° | 109.5° |
| O5' | P | O1 | 103.8° | 109.5° |
| C6 | N1 | C2 | 119.7° | 123.4° |
| N1 | C6 | C5 | 122.3° | 121.3° |
| N1 | C6 | H15 | 118.9° | 119.4° |
| N1 | C2 | O2 | 124.1° | 119.1° |
| N1 | C2 | N3 | 119.0° | 121.8° |
| C6 | C5 | C4 | 119.1° | 118.1° |
| C6 | C5 | H12 | 120.5° | 121.0° |
| C5 | C6 | H15 | 118.8° | 119.4° |
| O2 | C2 | N3 | 116.8° | 119.1° |
| OP2 | P | OP1 | 120.0° | 109.4° |
| OP2 | P | O1 | 107.4° | 109.4° |
| C2 | N3 | C4 | 119.7° | 118.4° |
| C2 | N3 | C1 | 119.6° | 120.8° |
| OP1 | P | O1 | 107.9° | 109.5° |
| P | OP1 | H20 | 109.5° | 114.0° |
| C5 | C4 | N3 | 120.1° | 117.2° |
| C5 | C4 | N4 | 120.3° | 107.9° |
| C5 | C4 | H10 | 90.1° | 107.9° |
| C4 | C5 | H12 | 120.5° | 121.0° |
| C4 | N3 | C1 | 120.7° | 120.8° |
| N3 | C4 | N4 | 119.6° | 107.9° |
| N3 | C4 | H10 | 90.2° | 107.9° |
| N3 | C1 | H1 | 109.5° | 109.5° |
| N3 | C1 | H2 | 109.5° | 109.5° |
| N3 | C1 | H3 | 109.5° | 109.5° |
| N4 | C4 | H10 | 90.2° | 107.8° |
| C4 | N4 | H16 | 109.5° | 110.9° |
| C4 | N4 | H17 | 109.5° | 111.0° |
| P | O1 | H21 | 109.5° | 114.0° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H6 | C3 | H7 | 109.4° | 109.5° |
| H6 | C3 | H8 | 109.5° | 109.5° |
| H7 | C3 | H8 | 109.5° | 109.5° |
| H13 | C5' | H14 | 109.5° | 109.5° |
| H16 | N4 | H17 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | O2' | C2' | C1' | 69.9° | 150.0° |
| C3 | O2' | C2' | C3' | 179.2° | 97.3° |
| C3 | O2' | C2' | H5 | 53.6° | 26.4° |
| O2' | C3 | H6 | H7 | 120.0° | 119.9° |
| O2' | C3 | H6 | H8 | 120.0° | 120.0° |
| O2' | C3 | H7 | H8 | 120.0° | 120.0° |
| O2' | C2' | C1' | O4' | 95.3° | 155.2° |
| O2' | C2' | C3' | C4' | 81.7° | 139.0° |
| O2' | C2' | C1' | C3' | 116.9° | 118.2° |
| O2' | C2' | C1' | H5 | 124.5° | 123.6° |
| O2' | C2' | C1' | N1 | 142.6° | 86.3° |
| O2' | C2' | C3' | H5 | 126.5° | 123.6° |
| O2' | C2' | C3' | O3' | 39.9° | 20.3° |
| O2' | C2' | C1' | H4 | 22.9° | 36.6° |
| C2' | O2' | C3 | H6 | 180.0° | 60.0° |
| C2' | O2' | C3 | H7 | 60.0° | 60.0° |
| C2' | O2' | C3 | H8 | 60.0° | 180.0° |
| O2' | C2' | C3' | H9 | 162.9° | 102.3° |
| O4' | C4' | C5' | C3' | 117.5° | 117.8° |
| O4' | C4' | C5' | H11 | 119.7° | 121.2° |
| O4' | C4' | C3' | H11 | 116.9° | 119.6° |
| C4' | O4' | C1' | C2' | 0.5° | 40.1° |
| C4' | O4' | C1' | N1 | 123.3° | 158.6° |
| O4' | C4' | C5' | O5' | 169.5° | 67.2° |
| O4' | C4' | C3' | C2' | 33.8° | 2.1° |
| O4' | C4' | C3' | O3' | 155.9° | 120.7° |
| C4' | O4' | C1' | H4 | 117.7° | 78.5° |
| O4' | C4' | C3' | H9 | 81.6° | 116.6° |
| O4' | C4' | C5' | H13 | 49.2° | 172.8° |
| O4' | C4' | C5' | H14 | 70.2° | 52.8° |
| C1' | O4' | C4' | C5' | 145.5° | 145.9° |
| C1' | O4' | C4' | C3' | 21.1° | 26.6° |
| O4' | C1' | C2' | N1 | 122.1° | 118.5° |
| O4' | C1' | C2' | H4 | 118.2° | 118.7° |
| O4' | C1' | N1 | H4 | 119.7° | 123.0° |
| O4' | C1' | C2' | C3' | 21.6° | 37.1° |
| O4' | C1' | N1 | C6 | 172.3° | 49.1° |
| O4' | C1' | N1 | C2 | 6.4° | 130.9° |
| O4' | C1' | C2' | H5 | 140.2° | 81.2° |
| C1' | O4' | C4' | H11 | 95.2° | 93.0° |
| C5' | C4' | C3' | H11 | 122.8° | 121.0° |
| C4' | C5' | O5' | H13 | 120.3° | 119.9° |
| C4' | C5' | O5' | H14 | 120.3° | 120.0° |
| C5' | C4' | C3' | C2' | 154.0° | 121.4° |
| C5' | C4' | C3' | O3' | 83.8° | 119.9° |
| C4' | C5' | O5' | P | 143.4° | 180.0° |
| C5' | C4' | C3' | H9 | 38.7° | 2.8° |
| C4' | C5' | H13 | H14 | 119.1° | 120.0° |
| C4' | C3' | C2' | C1' | 33.2° | 20.9° |
| C3' | C4' | C5' | O5' | 52.0° | 175.0° |
| C4' | C3' | C2' | O3' | 121.6° | 118.8° |
| C4' | C3' | C2' | H9 | 115.4° | 118.7° |
| C4' | C3' | O3' | H9 | 121.7° | 122.7° |
| C4' | C3' | C2' | H5 | 151.8° | 97.4° |
| C3' | C4' | C5' | H13 | 68.3° | 55.0° |
| C3' | C4' | C5' | H14 | 172.2° | 65.0° |
| C4' | C3' | O3' | H19 | 180.0° | 65.2° |
| C2' | C1' | N1 | H4 | 119.4° | 123.0° |
| C1' | C2' | C3' | H5 | 118.6° | 118.3° |
| C1' | C2' | C3' | O3' | 154.8° | 97.9° |
| C2' | C1' | N1 | C6 | 66.7° | 64.9° |
| C2' | C1' | N1 | C2 | 114.6° | 115.0° |
| C1' | C2' | C3' | H9 | 82.2° | 139.6° |
| N1 | C1' | C2' | C3' | 100.5° | 155.5° |
| C1' | N1 | C6 | C2 | 178.8° | 180.0° |
| C1' | N1 | C6 | C5 | 179.4° | 180.0° |
| C1' | N1 | C2 | O2 | 0.8° | 0.3° |
| C1' | N1 | C2 | N3 | 179.2° | 180.0° |
| N1 | C1' | C2' | H5 | 18.1° | 37.3° |
| C1' | N1 | C6 | H15 | 0.7° | 0.1° |
| C5' | O5' | P | OP2 | 137.7° | 55.0° |
| C5' | O5' | P | OP1 | 90.7° | 65.0° |
| C5' | O5' | P | O1 | 24.1° | 175.0° |
| O5' | C5' | C4' | H11 | 70.8° | 54.0° |
| O5' | C5' | H13 | H14 | 119.0° | 120.1° |
| C2' | C3' | O3' | H9 | 122.2° | 122.5° |
| C3' | C2' | C1' | H4 | 139.8° | 81.6° |
| C2' | C3' | C4' | H11 | 83.1° | 117.6° |
| C2' | C3' | O3' | H19 | 63.9° | 180.0° |
| O3' | C3' | C2' | H5 | 86.6° | 143.9° |
| O3' | C3' | C4' | H11 | 39.0° | 1.1° |
| O5' | P | OP2 | OP1 | 125.2° | 120.0° |
| O5' | P | OP2 | O1 | 111.2° | 120.0° |
| O5' | P | OP1 | O1 | 112.1° | 120.0° |
| P | O5' | C5' | H13 | 23.1° | 60.1° |
| P | O5' | C5' | H14 | 96.3° | 60.0° |
| O5' | P | OP1 | H20 | 124.5° | 60.0° |
| O5' | P | O1 | H21 | 113.7° | 180.0° |
| N1 | C6 | C5 | H15 | 180.0° | 179.9° |
| C6 | N1 | C2 | O2 | 179.5° | 179.7° |
| C6 | N1 | C2 | N3 | 0.5° | 0.0° |
| N1 | C6 | C5 | C4 | 0.5° | 0.0° |
| C6 | N1 | C1' | H4 | 52.7° | 172.1° |
| N1 | C6 | C5 | H12 | 179.5° | 180.0° |
| C2 | N1 | C6 | C5 | 0.6° | 0.0° |
| N1 | C2 | O2 | N3 | 180.0° | 179.7° |
| N1 | C2 | N3 | C4 | 0.4° | 0.1° |
| N1 | C2 | N3 | C1 | 179.2° | 180.0° |
| C2 | N1 | C1' | H4 | 126.0° | 7.9° |
| C2 | N1 | C6 | H15 | 179.4° | 180.0° |
| C6 | C5 | C4 | H12 | 180.0° | 180.0° |
| C6 | C5 | C4 | N3 | 0.4° | 0.0° |
| C6 | C5 | C4 | N4 | 179.9° | 121.9° |
| C6 | C5 | C4 | H10 | 89.9° | 121.9° |
| O2 | C2 | N3 | C4 | 179.6° | 179.8° |
| O2 | C2 | N3 | C1 | 0.8° | 0.3° |
| OP2 | P | OP1 | O1 | 123.4° | 120.0° |
| OP2 | P | OP1 | H20 | 0.0° | 179.9° |
| OP2 | P | O1 | H21 | 0.0° | 60.0° |
| C2 | N3 | C4 | C5 | 0.3° | 0.0° |
| C2 | N3 | C4 | C1 | 179.6° | 180.0° |
| C2 | N3 | C4 | N4 | 179.8° | 121.9° |
| C2 | N3 | C1 | H1 | 180.0° | 0.0° |
| C2 | N3 | C1 | H2 | 60.0° | 120.0° |
| C2 | N3 | C1 | H3 | 60.0° | 120.0° |
| C2 | N3 | C4 | H10 | 89.9° | 121.9° |
| OP1 | P | O1 | H21 | 130.7° | 60.0° |
| C5 | C4 | N3 | N4 | 179.5° | 121.9° |
| C5 | C4 | N3 | H10 | 90.2° | 121.9° |
| C5 | C4 | N3 | C1 | 179.3° | 180.0° |
| C5 | C4 | N4 | H10 | 90.2° | 116.3° |
| C4 | C5 | C6 | H15 | 179.5° | 180.0° |
| C5 | C4 | N4 | H16 | 180.0° | 56.3° |
| C5 | C4 | N4 | H17 | 60.0° | 179.9° |
| N3 | C4 | N4 | H10 | 90.3° | 116.2° |
| C4 | N3 | C1 | H1 | 0.4° | 180.0° |
| C4 | N3 | C1 | H2 | 120.4° | 60.0° |
| C4 | N3 | C1 | H3 | 119.6° | 60.0° |
| N3 | C4 | C5 | H12 | 179.6° | 180.0° |
| N3 | C4 | N4 | H16 | 0.5° | 176.2° |
| N3 | C4 | N4 | H17 | 119.5° | 52.4° |
| C1 | N3 | C4 | N4 | 0.2° | 58.1° |
| N3 | C1 | H1 | H2 | 120.0° | 120.0° |
| N3 | C1 | H1 | H3 | 120.0° | 120.0° |
| N3 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | N3 | C4 | H10 | 90.5° | 58.1° |
| N4 | C4 | C5 | H12 | 0.2° | 58.1° |
| C4 | N4 | H16 | H17 | 120.0° | 123.8° |
| O1 | P | OP1 | H20 | 123.4° | 60.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C1' | C2' | H5 | 101.6° | 160.2° |
| H5 | C2' | C3' | H9 | 36.4° | 21.3° |
| H6 | C3 | H7 | H8 | 120.0° | 120.1° |
| H9 | C3' | C4' | H11 | 161.5° | 123.8° |
| H9 | C3' | O3' | H19 | 58.3° | 57.5° |
| H10 | C4 | C5 | H12 | 90.1° | 58.1° |
| H10 | C4 | N4 | H16 | 89.8° | 60.0° |
| H10 | C4 | N4 | H17 | 150.2° | 63.9° |
| H11 | C4' | C5' | H13 | 168.9° | 66.0° |
| H11 | C4' | C5' | H14 | 49.5° | 174.0° |
| H12 | C5 | C6 | H15 | 0.5° | 0.0° |
