IMC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | doub | 1.48Å | 1.48Å | |
| P | OP2 | sing | 1.61Å | 1.48Å | |
| P | OP3 | sing | 1.61Å | 1.63Å | |
| P | O5' | sing | 1.61Å | 1.63Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C5' | H5' | sing | 1.09Å | 1.08Å | |
| C5' | H5'' | sing | 1.09Å | 1.09Å | |
| C4' | O4' | sing | 1.45Å | 1.42Å | |
| C4' | C3' | sing | 1.55Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.08Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| C1' | N1 | sing | 1.46Å | 1.49Å | |
| C1' | C2' | sing | 1.54Å | 1.54Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N1 | C6 | sing | 1.36Å | 1.37Å | |
| N1 | C2 | sing | 1.36Å | 1.35Å | |
| C6 | C5 | doub | 1.35Å | 1.35Å | |
| C6 | H6 | sing | 1.08Å | 1.07Å | |
| C4 | O4 | doub | 1.22Å | 1.23Å | |
| C4 | N3 | sing | 1.34Å | 1.37Å | |
| C4 | C5 | sing | 1.42Å | 1.45Å | |
| N3 | C2 | doub | 1.32Å | 1.34Å | |
| C2 | N2 | sing | 1.37Å | 1.33Å | |
| N2 | HN21 | sing | 0.97Å | 1.01Å | |
| N2 | HN22 | sing | 0.97Å | 1.01Å | |
| C5 | C5M | sing | 1.51Å | 1.54Å | |
| C5M | H71 | sing | 1.09Å | 1.09Å | |
| C5M | H72 | sing | 1.09Å | 1.09Å | |
| C5M | H73 | sing | 1.09Å | 1.09Å | |
| C2' | C3' | sing | 1.55Å | 1.56Å | |
| C2' | H2' | sing | 1.09Å | 1.09Å | |
| C2' | H2'' | sing | 1.09Å | 1.10Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C3' | H3' | sing | 1.09Å | 1.09Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 119.7° | 109.4° |
| OP1 | P | OP3 | 108.1° | 109.5° |
| OP1 | P | O5' | 108.6° | 109.5° |
| OP2 | P | OP3 | 108.2° | 109.4° |
| OP2 | P | O5' | 107.7° | 109.5° |
| P | OP2 | HOP2 | 119.6° | 106.8° |
| OP3 | P | O5' | 103.5° | 109.5° |
| P | OP3 | HOP3 | 108.1° | 106.8° |
| P | O5' | C5' | 117.7° | 106.8° |
| O5' | C5' | C4' | 118.2° | 109.5° |
| O5' | C5' | H5' | 106.9° | 109.5° |
| O5' | C5' | H5'' | 108.0° | 109.6° |
| C4' | C5' | H5' | 106.0° | 109.4° |
| C4' | C5' | H5'' | 107.9° | 109.4° |
| C5' | C4' | O4' | 113.8° | 110.8° |
| C5' | C4' | C3' | 116.0° | 110.7° |
| C5' | C4' | H4' | 105.0° | 110.5° |
| H5' | C5' | H5'' | 109.6° | 109.4° |
| O4' | C4' | C3' | 105.8° | 103.6° |
| O4' | C4' | H4' | 104.3° | 110.5° |
| C4' | O4' | C1' | 108.5° | 106.9° |
| C3' | C4' | H4' | 111.6° | 110.6° |
| C4' | C3' | C2' | 102.0° | 102.1° |
| C4' | C3' | O3' | 107.9° | 110.9° |
| C4' | C3' | H3' | 109.3° | 110.9° |
| O4' | C1' | N1 | 105.9° | 109.9° |
| O4' | C1' | C2' | 104.3° | 107.4° |
| O4' | C1' | H1' | 111.7° | 109.9° |
| N1 | C1' | C2' | 110.1° | 109.9° |
| N1 | C1' | H1' | 112.3° | 109.9° |
| C1' | N1 | C6 | 117.8° | 119.8° |
| C1' | N1 | C2 | 121.1° | 119.8° |
| C2' | C1' | H1' | 112.1° | 109.9° |
| C1' | C2' | C3' | 106.5° | 104.2° |
| C1' | C2' | H2' | 108.8° | 110.5° |
| C1' | C2' | H2'' | 108.0° | 110.5° |
| C6 | N1 | C2 | 121.1° | 120.4° |
| N1 | C6 | C5 | 121.6° | 119.3° |
| N1 | C6 | H6 | 114.2° | 120.3° |
| N1 | C2 | N3 | 118.1° | 121.2° |
| N1 | C2 | N2 | 123.2° | 119.4° |
| C5 | C6 | H6 | 124.2° | 120.4° |
| C6 | C5 | C4 | 118.4° | 118.9° |
| C6 | C5 | C5M | 121.7° | 120.6° |
| O4 | C4 | N3 | 120.4° | 120.3° |
| O4 | C4 | C5 | 123.6° | 120.2° |
| N3 | C4 | C5 | 116.0° | 119.5° |
| C4 | N3 | C2 | 124.5° | 120.7° |
| C4 | C5 | C5M | 119.9° | 120.5° |
| N3 | C2 | N2 | 118.7° | 119.4° |
| C2 | N2 | HN21 | 120.4° | 120.0° |
| C2 | N2 | HN22 | 122.0° | 120.0° |
| HN21 | N2 | HN22 | 117.5° | 120.0° |
| C5 | C5M | H71 | 109.4° | 109.4° |
| C5 | C5M | H72 | 110.4° | 109.5° |
| C5 | C5M | H73 | 111.3° | 109.5° |
| H71 | C5M | H72 | 107.8° | 109.5° |
| H71 | C5M | H73 | 108.0° | 109.4° |
| H72 | C5M | H73 | 109.8° | 109.5° |
| C3' | C2' | H2' | 118.7° | 110.5° |
| C3' | C2' | H2'' | 108.4° | 110.5° |
| C2' | C3' | O3' | 118.4° | 110.9° |
| C2' | C3' | H3' | 110.5° | 110.9° |
| H2' | C2' | H2'' | 106.1° | 110.5° |
| O3' | C3' | H3' | 108.3° | 110.7° |
| C3' | O3' | HO3' | 107.9° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | OP3 | 124.2° | 119.9° |
| OP1 | P | OP2 | O5' | 124.5° | 120.0° |
| OP1 | P | OP3 | O5' | 115.0° | 120.0° |
| OP1 | P | OP2 | HOP2 | 180.0° | 60.0° |
| OP1 | P | OP3 | HOP3 | 180.0° | 180.0° |
| OP1 | P | O5' | C5' | 44.3° | 60.0° |
| OP2 | P | OP3 | O5' | 114.1° | 120.0° |
| OP2 | P | OP3 | HOP3 | 49.1° | 60.1° |
| OP2 | P | O5' | C5' | 175.3° | 180.0° |
| OP3 | P | OP2 | HOP2 | 55.8° | 60.0° |
| OP3 | P | O5' | C5' | 70.3° | 60.0° |
| O5' | P | OP2 | HOP2 | 55.5° | 180.0° |
| O5' | P | OP3 | HOP3 | 65.0° | 60.0° |
| P | O5' | C5' | C4' | 153.5° | 180.0° |
| P | O5' | C5' | H5' | 34.2° | 60.0° |
| P | O5' | C5' | H5'' | 83.8° | 60.0° |
| O5' | C5' | C4' | H5' | 119.8° | 120.0° |
| O5' | C5' | C4' | H5'' | 122.8° | 120.1° |
| O5' | C5' | H5' | H5'' | 116.9° | 120.1° |
| O5' | C5' | C4' | O4' | 47.0° | 65.7° |
| O5' | C5' | C4' | C3' | 76.0° | 180.0° |
| O5' | C5' | C4' | H4' | 160.4° | 57.1° |
| C4' | C5' | H5' | H5'' | 116.2° | 119.9° |
| C5' | C4' | O4' | C3' | 128.5° | 118.7° |
| C5' | C4' | O4' | H4' | 113.8° | 122.8° |
| C5' | C4' | C3' | H4' | 120.1° | 122.9° |
| C5' | C4' | O4' | C1' | 166.8° | 158.6° |
| C5' | C4' | C3' | C2' | 156.0° | 155.7° |
| C5' | C4' | C3' | O3' | 78.5° | 86.1° |
| C5' | C4' | C3' | H3' | 39.0° | 37.4° |
| H5' | C5' | C4' | O4' | 72.8° | 174.2° |
| H5' | C5' | C4' | C3' | 164.1° | 59.9° |
| H5' | C5' | C4' | H4' | 40.5° | 63.0° |
| H5'' | C5' | C4' | O4' | 169.8° | 54.4° |
| H5'' | C5' | C4' | C3' | 46.8° | 59.9° |
| H5'' | C5' | C4' | H4' | 76.8° | 177.2° |
| O4' | C4' | C3' | H4' | 112.8° | 118.4° |
| C4' | O4' | C1' | N1 | 146.5° | 145.8° |
| C4' | O4' | C1' | C2' | 30.2° | 26.3° |
| C4' | O4' | C1' | H1' | 91.0° | 93.1° |
| O4' | C4' | C3' | C2' | 28.9° | 36.9° |
| O4' | C4' | C3' | O3' | 154.3° | 155.2° |
| O4' | C4' | C3' | H3' | 88.1° | 81.3° |
| C3' | C4' | O4' | C1' | 38.3° | 39.9° |
| C4' | C3' | C2' | C1' | 10.7° | 20.9° |
| C4' | C3' | C2' | O3' | 118.2° | 118.3° |
| C4' | C3' | C2' | H3' | 116.1° | 118.2° |
| C4' | C3' | C2' | H2' | 112.4° | 97.8° |
| C4' | C3' | C2' | H2'' | 126.7° | 139.5° |
| C4' | C3' | O3' | H3' | 118.2° | 123.6° |
| C4' | C3' | O3' | HO3' | 180.0° | 174.2° |
| H4' | C4' | O4' | C1' | 79.4° | 78.6° |
| H4' | C4' | C3' | C2' | 83.9° | 81.5° |
| H4' | C4' | C3' | O3' | 41.6° | 36.8° |
| H4' | C4' | C3' | H3' | 159.1° | 160.3° |
| O4' | C1' | N1 | C2' | 112.2° | 118.0° |
| O4' | C1' | N1 | H1' | 122.1° | 121.0° |
| O4' | C1' | C2' | H1' | 121.0° | 119.5° |
| O4' | C1' | N1 | C6 | 40.9° | 23.3° |
| O4' | C1' | N1 | C2 | 138.1° | 156.7° |
| O4' | C1' | C2' | C3' | 10.7° | 2.0° |
| O4' | C1' | C2' | H2' | 139.7° | 120.7° |
| O4' | C1' | C2' | H2'' | 105.6° | 116.7° |
| N1 | C1' | C2' | H1' | 125.9° | 121.0° |
| C1' | N1 | C6 | C2 | 179.0° | 180.0° |
| C1' | N1 | C6 | C5 | 172.6° | 180.0° |
| C1' | N1 | C6 | H6 | 7.6° | 0.1° |
| C1' | N1 | C2 | N3 | 175.5° | 180.0° |
| C1' | N1 | C2 | N2 | 4.1° | 0.0° |
| N1 | C1' | C2' | C3' | 123.8° | 121.5° |
| N1 | C1' | C2' | H2' | 107.1° | 119.8° |
| N1 | C1' | C2' | H2'' | 7.6° | 2.8° |
| C2' | C1' | N1 | C6 | 71.3° | 94.7° |
| C2' | C1' | N1 | C2 | 109.7° | 85.3° |
| C1' | C2' | C3' | H2' | 123.0° | 118.7° |
| C1' | C2' | C3' | H2'' | 116.0° | 118.7° |
| C1' | C2' | H2' | H2'' | 116.0° | 122.6° |
| C1' | C2' | C3' | O3' | 128.8° | 139.1° |
| C1' | C2' | C3' | H3' | 105.4° | 97.3° |
| H1' | C1' | N1 | C6 | 163.0° | 144.3° |
| H1' | C1' | N1 | C2 | 16.0° | 35.7° |
| H1' | C1' | C2' | C3' | 110.3° | 117.5° |
| H1' | C1' | C2' | H2' | 18.7° | 1.2° |
| H1' | C1' | C2' | H2'' | 133.4° | 123.8° |
| N1 | C6 | C5 | H6 | 179.8° | 179.9° |
| N1 | C6 | C5 | C4 | 3.8° | 0.2° |
| C6 | N1 | C2 | N3 | 3.4° | 0.0° |
| C6 | N1 | C2 | N2 | 177.0° | 180.0° |
| N1 | C6 | C5 | C5M | 175.4° | 180.0° |
| C2 | N1 | C6 | C5 | 6.4° | 0.0° |
| C2 | N1 | C6 | H6 | 173.4° | 179.9° |
| N1 | C2 | N3 | C4 | 2.1° | 0.3° |
| N1 | C2 | N3 | N2 | 179.7° | 180.0° |
| N1 | C2 | N2 | HN21 | 4.0° | 175.3° |
| N1 | C2 | N2 | HN22 | 174.9° | 4.6° |
| C6 | C5 | C4 | O4 | 177.4° | 180.0° |
| C6 | C5 | C4 | N3 | 1.3° | 0.5° |
| C6 | C5 | C4 | C5M | 179.3° | 179.8° |
| C6 | C5 | C5M | H71 | 177.1° | 179.9° |
| C6 | C5 | C5M | H72 | 58.7° | 60.0° |
| C6 | C5 | C5M | H73 | 63.6° | 60.0° |
| H6 | C6 | C5 | C4 | 175.9° | 179.8° |
| H6 | C6 | C5 | C5M | 4.8° | 0.0° |
| O4 | C4 | N3 | C5 | 178.7° | 179.5° |
| O4 | C4 | N3 | C2 | 174.4° | 180.0° |
| O4 | C4 | C5 | C5M | 1.9° | 0.2° |
| C4 | N3 | C2 | N2 | 177.6° | 179.7° |
| N3 | C4 | C5 | C5M | 179.5° | 179.7° |
| C5 | C4 | N3 | C2 | 4.3° | 0.6° |
| C4 | C5 | C5M | H71 | 2.1° | 0.3° |
| C4 | C5 | C5M | H72 | 120.6° | 119.8° |
| C4 | C5 | C5M | H73 | 117.2° | 120.2° |
| N3 | C2 | N2 | HN21 | 175.7° | 4.8° |
| N3 | C2 | N2 | HN22 | 5.4° | 175.3° |
| C2 | N2 | HN21 | HN22 | 179.0° | 179.9° |
| C5 | C5M | H71 | H72 | 120.0° | 120.0° |
| C5 | C5M | H71 | H73 | 121.3° | 119.9° |
| C5 | C5M | H72 | H73 | 123.1° | 120.0° |
| H71 | C5M | H72 | H73 | 117.5° | 120.0° |
| C3' | C2' | H2' | H2'' | 122.2° | 122.6° |
| C2' | C3' | O3' | H3' | 126.8° | 123.6° |
| C2' | C3' | O3' | HO3' | 64.9° | 61.4° |
| H2' | C2' | C3' | O3' | 5.8° | 20.4° |
| H2' | C2' | C3' | H3' | 131.5° | 144.0° |
| H2'' | C2' | C3' | O3' | 115.1° | 102.2° |
| H2'' | C2' | C3' | H3' | 10.6° | 21.3° |
| H3' | C3' | O3' | HO3' | 61.8° | 62.2° |
