EDI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP1 | P | doub | 1.48Å | 1.49Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| P | OP2 | sing | 1.61Å | 1.48Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C3' | sing | 1.55Å | 1.53Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.55Å | 1.51Å | |
| C1' | N9 | sing | 1.47Å | 1.46Å | |
| C1' | C2' | sing | 1.54Å | 1.51Å | |
| N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
| N3 | C4 | sing | 1.34Å | 1.35Å | |
| N3 | C2 | doub | 1.30Å | 1.32Å | |
| C4 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| C2 | N1 | sing | 1.36Å | 1.37Å | |
| N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.42Å | 1.42Å | |
| N1 | C6 | sing | 1.35Å | 1.39Å | |
| N1 | C12 | sing | 1.46Å | 1.46Å | |
| C6 | O6 | doub | 1.22Å | 1.24Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| P | OP3 | sing | 1.61Å | 1.61Å | |
| OP2 | H1 | sing | 0.97Å | 0.95Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | H3 | sing | 0.97Å | 0.95Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'' | sing | 1.09Å | 1.10Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| OP3 | H5 | sing | 0.97Å | 0.95Å | |
| C11 | I1 | sing | 2.16Å | 2.41Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | O5' | 108.0° | 109.5° |
| OP1 | P | OP2 | 119.6° | 109.5° |
| OP1 | P | OP3 | 107.1° | 109.5° |
| C4' | C5' | O5' | 110.4° | 109.5° |
| C5' | C4' | O4' | 109.0° | 110.6° |
| C5' | C4' | C3' | 115.2° | 110.6° |
| C4' | C5' | H5' | 109.2° | 109.5° |
| C4' | C5' | H5'' | 109.3° | 109.5° |
| C5' | C4' | H4' | 108.7° | 110.5° |
| C5' | O5' | P | 121.0° | 123.0° |
| O5' | C5' | H5' | 109.3° | 109.5° |
| O5' | C5' | H5'' | 109.2° | 109.4° |
| O5' | P | OP2 | 108.1° | 109.5° |
| O5' | P | OP3 | 104.0° | 109.5° |
| OP2 | P | OP3 | 109.0° | 109.5° |
| P | OP2 | H1 | 109.5° | 114.0° |
| O4' | C4' | C3' | 105.8° | 103.5° |
| C4' | O4' | C1' | 110.8° | 107.0° |
| O4' | C4' | H4' | 109.6° | 110.6° |
| C4' | C3' | O3' | 110.3° | 110.9° |
| C4' | C3' | C2' | 103.5° | 102.1° |
| C3' | C4' | H4' | 108.5° | 110.7° |
| C4' | C3' | H3' | 110.0° | 110.9° |
| O4' | C1' | N9 | 108.0° | 109.9° |
| O4' | C1' | C2' | 107.1° | 107.3° |
| O4' | C1' | H1' | 110.2° | 110.0° |
| O3' | C3' | C2' | 111.2° | 110.9° |
| O3' | C3' | H3' | 111.4° | 110.8° |
| C3' | O3' | H3 | 109.5° | 114.0° |
| C3' | C2' | C1' | 104.0° | 104.2° |
| C2' | C3' | H3' | 110.2° | 111.0° |
| C3' | C2' | H2' | 110.8° | 110.5° |
| C3' | C2' | H2'' | 110.8° | 110.5° |
| N9 | C1' | C2' | 112.8° | 109.8° |
| C1' | N9 | C8 | 126.5° | 126.2° |
| C1' | N9 | C4 | 127.1° | 126.3° |
| N9 | C1' | H1' | 109.7° | 109.8° |
| C1' | C2' | H2' | 110.8° | 110.5° |
| C1' | C2' | H2'' | 110.8° | 110.6° |
| C2' | C1' | H1' | 108.9° | 110.0° |
| C8 | N9 | C4 | 106.5° | 107.5° |
| N9 | C8 | N7 | 113.3° | 109.8° |
| N9 | C8 | H8 | 123.4° | 125.1° |
| N9 | C4 | N3 | 125.9° | 134.3° |
| N9 | C4 | C5 | 105.4° | 106.1° |
| C8 | N7 | C5 | 104.2° | 109.3° |
| N7 | C8 | H8 | 123.3° | 125.1° |
| C4 | N3 | C2 | 111.9° | 121.2° |
| N3 | C4 | C5 | 128.7° | 119.6° |
| N3 | C2 | N1 | 124.1° | 122.2° |
| N3 | C2 | H2 | 117.9° | 118.9° |
| C4 | C5 | N7 | 110.7° | 107.3° |
| C4 | C5 | C6 | 118.9° | 118.4° |
| C2 | N1 | C6 | 124.8° | 120.4° |
| C2 | N1 | C12 | 117.3° | 119.8° |
| N1 | C2 | H2 | 117.9° | 118.9° |
| N7 | C5 | C6 | 130.4° | 134.3° |
| C5 | C6 | N1 | 111.5° | 118.1° |
| C5 | C6 | O6 | 128.4° | 120.9° |
| C6 | N1 | C12 | 117.9° | 119.8° |
| N1 | C6 | O6 | 120.1° | 120.9° |
| N1 | C12 | C11 | 126.4° | 109.5° |
| N1 | C12 | H15 | 105.1° | 109.5° |
| N1 | C12 | H14 | 105.1° | 109.5° |
| C12 | C11 | H11 | 123.5° | 109.4° |
| C12 | C11 | H12 | 123.5° | 109.5° |
| C11 | C12 | H15 | 105.1° | 109.5° |
| C11 | C12 | H14 | 105.1° | 109.5° |
| C12 | C11 | I1 | 33.9° | 109.5° |
| P | OP3 | H5 | 109.5° | 114.0° |
| H5' | C5' | H5'' | 109.5° | 109.5° |
| H2' | C2' | H2'' | 109.5° | 110.4° |
| H11 | C11 | H12 | 109.5° | 109.5° |
| H11 | C11 | I1 | 123.5° | 109.5° |
| H12 | C11 | I1 | 123.5° | 109.5° |
| H15 | C12 | H14 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | O5' | C5' | 45.8° | 55.0° |
| OP1 | P | O5' | OP2 | 130.7° | 120.0° |
| OP1 | P | O5' | OP3 | 113.6° | 120.0° |
| OP1 | P | OP2 | OP3 | 123.5° | 120.0° |
| OP1 | P | OP2 | H1 | 0.0° | 180.0° |
| OP1 | P | OP3 | H5 | 0.0° | 60.0° |
| C4' | C5' | O5' | H5' | 120.1° | 120.0° |
| C4' | C5' | O5' | H5'' | 120.1° | 120.0° |
| C4' | C5' | O5' | P | 166.2° | 180.0° |
| C5' | C4' | O4' | C3' | 124.5° | 118.5° |
| C5' | C4' | O4' | H4' | 118.8° | 122.8° |
| C5' | C4' | C3' | H4' | 122.1° | 122.9° |
| C5' | C4' | O4' | C1' | 113.1° | 158.6° |
| C5' | C4' | C3' | O3' | 146.1° | 86.3° |
| C5' | C4' | C3' | C2' | 94.9° | 155.5° |
| C4' | C5' | H5' | H5'' | 119.6° | 120.0° |
| C5' | C4' | C3' | H3' | 22.8° | 37.3° |
| C5' | O5' | P | OP2 | 176.5° | 64.9° |
| O5' | C5' | C4' | O4' | 57.4° | 66.4° |
| O5' | C5' | C4' | C3' | 61.3° | 179.5° |
| C5' | O5' | P | OP3 | 67.8° | 175.0° |
| O5' | C5' | H5' | H5'' | 119.6° | 120.0° |
| O5' | C5' | C4' | H4' | 176.8° | 56.4° |
| O5' | P | OP2 | OP3 | 112.5° | 120.0° |
| O5' | P | OP2 | H1 | 124.0° | 60.1° |
| P | O5' | C5' | H5' | 46.1° | 60.0° |
| P | O5' | C5' | H5'' | 73.6° | 60.0° |
| O5' | P | OP3 | H5 | 114.2° | 180.0° |
| OP2 | P | OP3 | H5 | 130.7° | 60.0° |
| O4' | C4' | C3' | H4' | 117.5° | 118.6° |
| O4' | C4' | C3' | O3' | 93.5° | 155.2° |
| O4' | C4' | C3' | C2' | 25.5° | 37.0° |
| C4' | O4' | C1' | N9 | 129.5° | 145.9° |
| C4' | O4' | C1' | C2' | 7.7° | 26.5° |
| O4' | C4' | C5' | H5' | 62.7° | 53.6° |
| O4' | C4' | C5' | H5'' | 177.5° | 173.6° |
| O4' | C4' | C3' | H3' | 143.3° | 81.2° |
| C4' | O4' | C1' | H1' | 110.7° | 93.1° |
| C3' | C4' | O4' | C1' | 11.4° | 40.1° |
| C4' | C3' | O3' | C2' | 114.2° | 112.7° |
| C4' | C3' | O3' | H3' | 122.4° | 123.6° |
| C4' | C3' | C2' | H3' | 117.6° | 118.2° |
| C4' | C3' | C2' | C1' | 29.6° | 20.9° |
| C3' | C4' | C5' | H5' | 178.6° | 60.5° |
| C3' | C4' | C5' | H5'' | 58.8° | 59.5° |
| C4' | C3' | O3' | H3 | 180.0° | 180.0° |
| C4' | C3' | C2' | H2' | 89.6° | 139.6° |
| C4' | C3' | C2' | H2'' | 148.7° | 97.9° |
| O4' | C1' | C2' | C3' | 23.6° | 2.0° |
| O4' | C1' | N9 | C2' | 118.2° | 117.8° |
| O4' | C1' | N9 | H1' | 120.1° | 121.1° |
| O4' | C1' | C2' | H1' | 119.2° | 119.6° |
| O4' | C1' | N9 | C8 | 80.4° | 23.5° |
| O4' | C1' | N9 | C4 | 99.9° | 156.7° |
| C1' | O4' | C4' | H4' | 128.1° | 78.6° |
| O4' | C1' | C2' | H2' | 95.5° | 116.6° |
| O4' | C1' | C2' | H2'' | 142.8° | 120.8° |
| O3' | C3' | C2' | H3' | 124.1° | 123.6° |
| O3' | C3' | C2' | C1' | 88.8° | 139.0° |
| O3' | C3' | C4' | H4' | 24.0° | 36.6° |
| O3' | C3' | C2' | H2' | 152.1° | 102.3° |
| O3' | C3' | C2' | H2'' | 30.3° | 20.3° |
| C3' | C2' | C1' | N9 | 142.4° | 121.5° |
| C3' | C2' | C1' | H2' | 119.1° | 118.7° |
| C3' | C2' | C1' | H2'' | 119.1° | 118.7° |
| C2' | C3' | C4' | H4' | 143.0° | 81.5° |
| C2' | C3' | O3' | H3 | 65.8° | 67.3° |
| C3' | C2' | H2' | H2'' | 122.6° | 122.6° |
| C3' | C2' | C1' | H1' | 95.5° | 117.5° |
| N9 | C1' | C2' | H1' | 122.1° | 121.0° |
| C1' | N9 | C8 | C4 | 179.7° | 179.8° |
| C1' | N9 | C8 | N7 | 179.7° | 180.0° |
| C1' | N9 | C4 | N3 | 0.2° | 0.7° |
| C1' | N9 | C4 | C5 | 179.7° | 179.8° |
| N9 | C1' | C2' | H2' | 23.3° | 2.8° |
| N9 | C1' | C2' | H2'' | 98.4° | 119.8° |
| C1' | N9 | C8 | H8 | 0.3° | 0.1° |
| C2' | C1' | N9 | C8 | 37.8° | 94.3° |
| C2' | C1' | N9 | C4 | 141.8° | 85.5° |
| C1' | C2' | C3' | H3' | 147.1° | 97.3° |
| C1' | C2' | H2' | H2'' | 122.5° | 122.7° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| C8 | N9 | C4 | N3 | 180.0° | 179.4° |
| C8 | N9 | C4 | C5 | 0.0° | 0.3° |
| N9 | C8 | N7 | C5 | 0.0° | 0.0° |
| C8 | N9 | C1' | H1' | 159.5° | 144.6° |
| C4 | N9 | C8 | N7 | 0.0° | 0.2° |
| N9 | C4 | N3 | C5 | 180.0° | 179.0° |
| N9 | C4 | N3 | C2 | 180.0° | 179.6° |
| N9 | C4 | C5 | N7 | 0.0° | 0.4° |
| N9 | C4 | C5 | C6 | 180.0° | 179.8° |
| C4 | N9 | C1' | H1' | 20.2° | 35.6° |
| C4 | N9 | C8 | H8 | 180.0° | 179.7° |
| C8 | N7 | C5 | C4 | 0.0° | 0.3° |
| C8 | N7 | C5 | C6 | 180.0° | 179.9° |
| C4 | N3 | C2 | N1 | 0.1° | 0.3° |
| N3 | C4 | C5 | N7 | 180.0° | 179.6° |
| N3 | C4 | C5 | C6 | 0.0° | 0.5° |
| C4 | N3 | C2 | H2 | 179.9° | 179.7° |
| C2 | N3 | C4 | C5 | 0.0° | 0.6° |
| N3 | C2 | N1 | H2 | 180.0° | 179.9° |
| N3 | C2 | N1 | C6 | 0.2° | 0.1° |
| N3 | C2 | N1 | C12 | 179.7° | 180.0° |
| C4 | C5 | N7 | C6 | 180.0° | 179.8° |
| C4 | C5 | C6 | N1 | 0.0° | 0.2° |
| C4 | C5 | C6 | O6 | 180.0° | 179.7° |
| C2 | N1 | C6 | C5 | 0.1° | 0.1° |
| C2 | N1 | C6 | C12 | 179.8° | 180.0° |
| C2 | N1 | C6 | O6 | 179.9° | 180.0° |
| C2 | N1 | C12 | C11 | 123.7° | 90.0° |
| C2 | N1 | C12 | H15 | 1.4° | 30.0° |
| C2 | N1 | C12 | H14 | 114.1° | 150.0° |
| N7 | C5 | C6 | N1 | 179.9° | 180.0° |
| N7 | C5 | C6 | O6 | 0.0° | 0.1° |
| C5 | N7 | C8 | H8 | 180.0° | 180.0° |
| C5 | C6 | N1 | O6 | 180.0° | 180.0° |
| C5 | C6 | N1 | C12 | 179.7° | 180.0° |
| C6 | N1 | C12 | C11 | 56.5° | 90.0° |
| C6 | N1 | C2 | H2 | 179.8° | 180.0° |
| C6 | N1 | C12 | H15 | 178.8° | 150.0° |
| C6 | N1 | C12 | H14 | 65.8° | 30.0° |
| C12 | N1 | C6 | O6 | 0.3° | 0.0° |
| N1 | C12 | C11 | H15 | 122.3° | 120.0° |
| N1 | C12 | C11 | H14 | 122.3° | 120.0° |
| C12 | N1 | C2 | H2 | 0.3° | 0.0° |
| N1 | C12 | C11 | H11 | 33.4° | 60.0° |
| N1 | C12 | C11 | H12 | 123.3° | 60.0° |
| N1 | C12 | H15 | H14 | 112.4° | 120.0° |
| N1 | C12 | C11 | I1 | 135.0° | 180.0° |
| C12 | C11 | H11 | H12 | 159.5° | 120.0° |
| C12 | C11 | H11 | I1 | 40.9° | 120.0° |
| C12 | C11 | H12 | I1 | 40.9° | 120.0° |
| C11 | C12 | H15 | H14 | 112.4° | 120.0° |
| OP3 | P | OP2 | H1 | 123.5° | 60.0° |
| H5' | C5' | C4' | H4' | 56.6° | 176.4° |
| H5'' | C5' | C4' | H4' | 63.1° | 63.6° |
| H4' | C4' | C3' | H3' | 99.3° | 160.2° |
| H3' | C3' | O3' | H3 | 57.6° | 56.4° |
| H3' | C3' | C2' | H2' | 28.0° | 21.4° |
| H3' | C3' | C2' | H2'' | 93.7° | 143.9° |
| H2' | C2' | C1' | H1' | 145.3° | 123.8° |
| H2'' | C2' | C1' | H1' | 23.6° | 1.2° |
| H11 | C11 | H12 | I1 | 159.5° | 120.0° |
| H11 | C11 | C12 | H15 | 155.7° | 180.0° |
| H11 | C11 | C12 | H14 | 88.9° | 60.0° |
| H12 | C11 | C12 | H15 | 1.1° | 60.0° |
| H12 | C11 | C12 | H14 | 114.4° | 180.0° |
| H15 | C12 | C11 | I1 | 102.7° | 60.0° |
| H14 | C12 | C11 | I1 | 12.8° | 60.0° |
