XM7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N3 | doub | 1.32Å | 1.32Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| O2' | C2' | sing | 1.43Å | 1.43Å | |
| N3 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
| N1 | C6 | doub | 1.33Å | 1.34Å | Aromatic |
| C2' | C1' | sing | 1.55Å | 1.55Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C4 | N9 | sing | 1.37Å | 1.36Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.38Å | Aromatic |
| O3' | C3' | sing | 1.43Å | 1.44Å | |
| C6 | C5 | sing | 1.41Å | 1.39Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.34Å | |
| C1' | N9 | sing | 1.47Å | 1.47Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
| C3' | C4' | sing | 1.54Å | 1.51Å | |
| C5 | N7 | sing | 1.35Å | 1.39Å | Aromatic |
| C4' | O4' | sing | 1.44Å | 1.47Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| O5' | P | sing | 1.61Å | 1.68Å | |
| P | OP1 | doub | 1.48Å | 1.56Å | |
| P | OP2 | sing | 1.61Å | 1.55Å | |
| P | OP3 | sing | 1.61Å | 1.67Å | |
| OP3 | C22 | sing | 1.43Å | 1.44Å | |
| C2 | H4' | sing | 1.08Å | 1.08Å | |
| C4' | H1 | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C8 | H5'' | sing | 1.08Å | 1.08Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| N6 | H61 | sing | 0.97Å | 1.00Å | |
| N6 | H62 | sing | 0.97Å | 1.00Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C2 | N1 | 126.9° | 122.5° |
| C2 | N3 | C4 | 113.2° | 120.6° |
| N3 | C2 | H4' | 116.6° | 118.7° |
| C2 | N1 | C6 | 119.7° | 121.2° |
| N1 | C2 | H4' | 116.5° | 118.8° |
| O2' | C2' | C1' | 110.7° | 110.9° |
| O2' | C2' | C3' | 111.5° | 110.9° |
| O2' | C2' | H2' | 112.5° | 110.9° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| N3 | C4 | N9 | 129.2° | 134.9° |
| N3 | C4 | C5 | 124.7° | 119.0° |
| N1 | C6 | C5 | 117.9° | 118.5° |
| N1 | C6 | N6 | 119.2° | 120.8° |
| C1' | C2' | C3' | 99.7° | 102.1° |
| C2' | C1' | N9 | 116.3° | 110.6° |
| C2' | C1' | O4' | 107.3° | 103.5° |
| C1' | C2' | H2' | 110.7° | 110.9° |
| C2' | C1' | H1' | 107.8° | 110.6° |
| C2' | C3' | O3' | 106.1° | 110.6° |
| C2' | C3' | C4' | 102.6° | 104.2° |
| C2' | C3' | H3' | 112.4° | 110.5° |
| C3' | C2' | H2' | 111.0° | 110.9° |
| N9 | C4 | C5 | 106.2° | 106.0° |
| C4 | N9 | C1' | 128.2° | 126.3° |
| C4 | N9 | C8 | 106.1° | 107.4° |
| C4 | C5 | C6 | 117.7° | 118.2° |
| C4 | C5 | N7 | 110.0° | 107.1° |
| O3' | C3' | C4' | 108.2° | 110.5° |
| O3' | C3' | H3' | 113.9° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C5 | C6 | N6 | 122.9° | 120.8° |
| C6 | C5 | N7 | 132.3° | 134.7° |
| C6 | N6 | H61 | 109.5° | 120.0° |
| C6 | N6 | H62 | 109.5° | 120.0° |
| N9 | C1' | O4' | 106.9° | 110.6° |
| C1' | N9 | C8 | 125.7° | 126.3° |
| N9 | C1' | H1' | 108.9° | 110.6° |
| C1' | O4' | C4' | 108.9° | 107.0° |
| O4' | C1' | H1' | 109.5° | 110.8° |
| N9 | C8 | N7 | 113.0° | 110.0° |
| N9 | C8 | H5'' | 123.5° | 125.0° |
| C3' | C4' | O4' | 100.0° | 107.3° |
| C3' | C4' | C5' | 112.9° | 109.9° |
| C3' | C4' | H1 | 110.6° | 110.0° |
| C4' | C3' | H3' | 112.7° | 110.5° |
| C5 | N7 | C8 | 104.7° | 109.4° |
| O4' | C4' | C5' | 111.4° | 109.9° |
| O4' | C4' | H1 | 111.1° | 109.9° |
| C4' | C5' | O5' | 110.6° | 109.4° |
| C5' | C4' | H1 | 110.5° | 109.9° |
| C4' | C5' | H5' | 109.2° | 109.5° |
| C4' | C5' | H2 | 109.2° | 109.5° |
| N7 | C8 | H5'' | 123.5° | 125.0° |
| C5' | O5' | P | 125.2° | 123.0° |
| O5' | C5' | H5' | 109.2° | 109.5° |
| O5' | C5' | H2 | 109.2° | 109.5° |
| O5' | P | OP1 | 108.0° | 109.5° |
| O5' | P | OP2 | 110.8° | 109.4° |
| O5' | P | OP3 | 92.9° | 109.5° |
| OP1 | P | OP2 | 121.5° | 109.5° |
| OP1 | P | OP3 | 108.4° | 109.5° |
| OP2 | P | OP3 | 111.6° | 109.5° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| P | OP3 | C22 | 117.0° | 123.0° |
| OP3 | C22 | H9 | 109.5° | 109.5° |
| OP3 | C22 | H10 | 109.5° | 109.4° |
| OP3 | C22 | H11 | 109.5° | 109.4° |
| H5' | C5' | H2 | 109.5° | 109.4° |
| H9 | C22 | H10 | 109.5° | 109.5° |
| H9 | C22 | H11 | 109.5° | 109.5° |
| H10 | C22 | H11 | 109.5° | 109.5° |
| H61 | N6 | H62 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C2 | N1 | H4' | 180.0° | 179.7° |
| N3 | C2 | N1 | C6 | 0.0° | 0.0° |
| C2 | N3 | C4 | N9 | 179.4° | 180.0° |
| C2 | N3 | C4 | C5 | 0.1° | 0.1° |
| N1 | C2 | N3 | C4 | 0.1° | 0.1° |
| C2 | N1 | C6 | C5 | 0.0° | 0.0° |
| C2 | N1 | C6 | N6 | 179.4° | 180.0° |
| O2' | C2' | C1' | C3' | 117.5° | 118.2° |
| O2' | C2' | C1' | H2' | 125.5° | 123.6° |
| O2' | C2' | C3' | H2' | 126.3° | 123.6° |
| O2' | C2' | C3' | O3' | 36.7° | 20.3° |
| O2' | C2' | C1' | N9 | 142.8° | 86.3° |
| O2' | C2' | C1' | O4' | 97.6° | 155.2° |
| O2' | C2' | C3' | C4' | 76.7° | 139.1° |
| O2' | C2' | C3' | H3' | 161.9° | 102.2° |
| O2' | C2' | C1' | H1' | 20.2° | 36.5° |
| N3 | C4 | N9 | C5 | 179.6° | 179.9° |
| N3 | C4 | C5 | C6 | 0.1° | 0.1° |
| N3 | C4 | N9 | C1' | 1.9° | 0.1° |
| N3 | C4 | N9 | C8 | 179.7° | 180.0° |
| N3 | C4 | C5 | N7 | 179.9° | 180.0° |
| C4 | N3 | C2 | H4' | 179.9° | 179.7° |
| N1 | C6 | C5 | C4 | 0.1° | 0.0° |
| N1 | C6 | C5 | N6 | 179.4° | 180.0° |
| N1 | C6 | C5 | N7 | 179.8° | 180.0° |
| C6 | N1 | C2 | H4' | 180.0° | 179.7° |
| N1 | C6 | N6 | H61 | 0.0° | 0.0° |
| N1 | C6 | N6 | H62 | 120.0° | 180.0° |
| C1' | C2' | C3' | H2' | 116.8° | 118.2° |
| C2' | C1' | N9 | C4 | 72.6° | 85.0° |
| C1' | C2' | C3' | O3' | 153.7° | 97.8° |
| C2' | C1' | N9 | O4' | 119.8° | 114.1° |
| C2' | C1' | N9 | H1' | 122.0° | 122.9° |
| C2' | C1' | O4' | H1' | 116.8° | 118.6° |
| C2' | C1' | N9 | C8 | 109.2° | 95.0° |
| C1' | C2' | C3' | C4' | 40.3° | 20.9° |
| C2' | C1' | O4' | C4' | 8.6° | 40.1° |
| C1' | C2' | C3' | H3' | 81.1° | 139.6° |
| C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
| C2' | C3' | O3' | C4' | 109.6° | 114.9° |
| C2' | C3' | O3' | H3' | 124.2° | 122.6° |
| C3' | C2' | C1' | N9 | 99.7° | 155.5° |
| C3' | C2' | C1' | O4' | 19.9° | 37.0° |
| C2' | C3' | C4' | H3' | 121.2° | 118.7° |
| C2' | C3' | C4' | O4' | 45.9° | 2.0° |
| C2' | C3' | C4' | C5' | 164.3° | 121.5° |
| C2' | C3' | C4' | H1 | 71.3° | 117.5° |
| C3' | C2' | C1' | H1' | 137.7° | 81.6° |
| C2' | C3' | O3' | HO3' | 180.0° | 65.2° |
| C3' | C2' | O2' | HO2' | 70.0° | 67.3° |
| N9 | C4 | C5 | C6 | 179.5° | 180.0° |
| C4 | N9 | C1' | C8 | 178.2° | 179.9° |
| C4 | N9 | C1' | O4' | 167.5° | 161.0° |
| N9 | C4 | C5 | N7 | 0.3° | 0.0° |
| C4 | N9 | C8 | N7 | 0.2° | 0.0° |
| C4 | N9 | C1' | H1' | 49.4° | 37.9° |
| C4 | N9 | C8 | H5'' | 179.9° | 180.0° |
| C4 | C5 | C6 | N7 | 179.7° | 180.0° |
| C4 | C5 | C6 | N6 | 179.5° | 180.0° |
| C5 | C4 | N9 | C1' | 178.5° | 180.0° |
| C5 | C4 | N9 | C8 | 0.1° | 0.1° |
| C4 | C5 | N7 | C8 | 0.4° | 0.0° |
| O3' | C3' | C4' | H3' | 126.9° | 122.5° |
| O3' | C3' | C4' | O4' | 157.7° | 120.8° |
| O3' | C3' | C4' | C5' | 83.8° | 119.7° |
| O3' | C3' | C4' | H1 | 40.6° | 1.3° |
| O3' | C3' | C2' | H2' | 89.5° | 144.0° |
| C6 | C5 | N7 | C8 | 179.3° | 180.0° |
| C5 | C6 | N6 | H61 | 179.4° | 180.0° |
| C5 | C6 | N6 | H62 | 59.4° | 0.0° |
| N6 | C6 | C5 | N7 | 0.8° | 0.0° |
| C6 | N6 | H61 | H62 | 120.0° | 180.0° |
| N9 | C1' | O4' | H1' | 117.7° | 122.9° |
| N9 | C1' | O4' | C4' | 134.0° | 158.6° |
| C1' | N9 | C8 | N7 | 178.3° | 180.0° |
| N9 | C1' | C2' | H2' | 17.3° | 37.3° |
| C1' | N9 | C8 | H5'' | 1.6° | 0.0° |
| O4' | C1' | N9 | C8 | 10.7° | 19.1° |
| C1' | O4' | C4' | C3' | 33.7° | 26.5° |
| C1' | O4' | C4' | C5' | 153.3° | 145.9° |
| C1' | O4' | C4' | H1 | 83.0° | 93.0° |
| O4' | C1' | C2' | H2' | 136.9° | 81.1° |
| N9 | C8 | N7 | C5 | 0.3° | 0.0° |
| N9 | C8 | N7 | H5'' | 180.0° | 179.9° |
| C8 | N9 | C1' | H1' | 128.8° | 142.2° |
| C3' | C4' | O4' | C5' | 119.5° | 119.4° |
| C3' | C4' | O4' | H1 | 116.8° | 119.5° |
| C3' | C4' | C5' | H1 | 124.4° | 121.2° |
| C3' | C4' | C5' | O5' | 136.7° | 175.7° |
| C4' | C3' | C2' | H2' | 157.0° | 97.3° |
| C3' | C4' | C5' | H5' | 103.1° | 55.7° |
| C3' | C4' | C5' | H2 | 16.5° | 64.3° |
| C4' | C3' | O3' | HO3' | 70.5° | 180.0° |
| C5 | N7 | C8 | H5'' | 179.7° | 180.0° |
| O4' | C4' | C5' | H1 | 124.0° | 121.0° |
| O4' | C4' | C5' | O5' | 25.1° | 66.5° |
| O4' | C4' | C3' | H3' | 75.3° | 116.7° |
| C4' | O4' | C1' | H1' | 108.2° | 78.5° |
| O4' | C4' | C5' | H5' | 145.3° | 173.5° |
| O4' | C4' | C5' | H2 | 95.0° | 53.5° |
| C4' | C5' | O5' | H5' | 120.2° | 120.0° |
| C4' | C5' | O5' | H2 | 120.2° | 120.0° |
| C4' | C5' | O5' | P | 173.3° | 180.0° |
| C5' | C4' | C3' | H3' | 43.1° | 2.8° |
| C4' | C5' | H5' | H2 | 119.5° | 120.0° |
| C5' | O5' | P | OP1 | 8.0° | 55.0° |
| C5' | O5' | P | OP2 | 143.2° | 65.0° |
| C5' | O5' | P | OP3 | 102.4° | 175.0° |
| O5' | C5' | C4' | H1 | 98.9° | 54.6° |
| O5' | C5' | H5' | H2 | 119.5° | 120.0° |
| O5' | P | OP1 | OP2 | 129.5° | 120.0° |
| O5' | P | OP1 | OP3 | 99.4° | 120.0° |
| O5' | P | OP2 | OP3 | 102.0° | 119.9° |
| O5' | P | OP3 | C22 | 88.8° | 175.0° |
| P | O5' | C5' | H5' | 53.2° | 60.0° |
| P | O5' | C5' | H2 | 66.5° | 60.0° |
| O5' | P | OP2 | HOP2 | 128.3° | 60.0° |
| OP1 | P | OP2 | OP3 | 129.7° | 120.0° |
| OP1 | P | OP3 | C22 | 161.2° | 55.0° |
| OP1 | P | OP2 | HOP2 | 0.0° | 180.0° |
| OP2 | P | OP3 | C22 | 25.0° | 65.0° |
| P | OP3 | C22 | H9 | 180.0° | 179.9° |
| P | OP3 | C22 | H10 | 60.0° | 60.0° |
| P | OP3 | C22 | H11 | 60.0° | 59.9° |
| OP3 | P | OP2 | HOP2 | 129.7° | 60.0° |
| OP3 | C22 | H9 | H10 | 120.0° | 120.0° |
| OP3 | C22 | H9 | H11 | 120.0° | 119.9° |
| OP3 | C22 | H10 | H11 | 120.0° | 119.9° |
| H1 | C4' | C3' | H3' | 167.5° | 123.8° |
| H1 | C4' | C5' | H5' | 21.2° | 65.4° |
| H1 | C4' | C5' | H2 | 140.9° | 174.6° |
| H3' | C3' | C2' | H2' | 35.6° | 21.4° |
| H3' | C3' | O3' | HO3' | 55.7° | 57.4° |
| H2' | C2' | C1' | H1' | 105.3° | 160.2° |
| H2' | C2' | O2' | HO2' | 55.5° | 56.4° |
| H9 | C22 | H10 | H11 | 120.0° | 120.0° |
