UEL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C6 | sing | 1.48Å | 1.61Å | |
| N1 | C2 | sing | 1.37Å | 1.49Å | |
| C6 | O6 | sing | 1.43Å | 1.28Å | |
| C6 | C5 | sing | 1.51Å | 1.59Å | |
| C5 | N7 | sing | 1.32Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.55Å | Aromatic |
| C2 | N3 | doub | 1.31Å | 1.26Å | |
| N7 | N8 | doub | 1.29Å | 1.14Å | Aromatic |
| C4 | N3 | sing | 1.36Å | 1.18Å | |
| C4 | N9 | sing | 1.35Å | 1.47Å | Aromatic |
| N8 | N9 | sing | 1.41Å | 1.17Å | Aromatic |
| OP1 | P | doub | 1.48Å | 1.51Å | |
| N9 | C1' | sing | 1.47Å | 1.41Å | |
| O4' | C1' | sing | 1.44Å | 1.49Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| C1' | C2' | sing | 1.54Å | 1.51Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C5' | O5' | sing | 1.43Å | 1.40Å | |
| P | O5' | sing | 1.61Å | 1.65Å | |
| P | OP2 | sing | 1.61Å | 1.51Å | |
| C4' | C3' | sing | 1.55Å | 1.48Å | |
| C2' | C3' | sing | 1.55Å | 1.45Å | |
| C3' | O3' | sing | 1.43Å | 1.45Å | |
| P | OP3 | sing | 1.61Å | 1.61Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C1' | H3 | sing | 1.09Å | 1.10Å | |
| C2' | H4 | sing | 1.09Å | 1.10Å | |
| C2' | H5 | sing | 1.09Å | 1.10Å | |
| C3' | H6 | sing | 1.09Å | 1.10Å | |
| C4' | H7 | sing | 1.09Å | 1.10Å | |
| C5' | H8 | sing | 1.09Å | 1.10Å | |
| C5' | H9 | sing | 1.09Å | 1.10Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| O3' | H11 | sing | 0.97Å | 0.95Å | |
| O6 | H12 | sing | 0.97Å | 0.95Å | |
| OP2 | H13 | sing | 0.97Å | 0.95Å | |
| OP3 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | N1 | C2 | 109.9° | 120.3° |
| N1 | C6 | O6 | 109.1° | 110.1° |
| N1 | C6 | C5 | 110.5° | 106.2° |
| N1 | C6 | H1 | 107.7° | 110.2° |
| C6 | N1 | H10 | 125.0° | 119.8° |
| N1 | C2 | N3 | 127.3° | 122.1° |
| N1 | C2 | H2 | 116.3° | 118.9° |
| C2 | N1 | H10 | 125.1° | 119.8° |
| O6 | C6 | C5 | 109.0° | 110.1° |
| O6 | C6 | H1 | 112.6° | 110.1° |
| C6 | O6 | H12 | 109.5° | 113.9° |
| C6 | C5 | N7 | 142.0° | 130.5° |
| C6 | C5 | C4 | 115.1° | 120.6° |
| C5 | C6 | H1 | 107.9° | 110.1° |
| N7 | C5 | C4 | 102.8° | 108.9° |
| C5 | N7 | N8 | 115.0° | 110.0° |
| C5 | C4 | N3 | 122.8° | 122.0° |
| C5 | C4 | N9 | 92.5° | 106.5° |
| C2 | N3 | C4 | 126.3° | 118.5° |
| N3 | C2 | H2 | 116.4° | 119.0° |
| N7 | N8 | N9 | 112.7° | 108.4° |
| N3 | C4 | N9 | 144.7° | 131.5° |
| C4 | N9 | N8 | 116.9° | 106.1° |
| C4 | N9 | C1' | 121.1° | 126.9° |
| N8 | N9 | C1' | 121.9° | 126.9° |
| OP1 | P | O5' | 110.9° | 109.4° |
| OP1 | P | OP2 | 111.1° | 109.5° |
| OP1 | P | OP3 | 109.5° | 109.5° |
| N9 | C1' | O4' | 110.2° | 110.0° |
| N9 | C1' | C2' | 109.4° | 109.9° |
| N9 | C1' | H3 | 110.4° | 109.8° |
| C1' | O4' | C4' | 103.7° | 107.0° |
| O4' | C1' | C2' | 108.8° | 107.3° |
| O4' | C1' | H3 | 109.1° | 110.0° |
| O4' | C4' | C5' | 108.1° | 110.8° |
| O4' | C4' | C3' | 106.6° | 103.5° |
| O4' | C4' | H7 | 111.3° | 110.6° |
| C1' | C2' | C3' | 101.3° | 104.2° |
| C2' | C1' | H3 | 109.0° | 109.9° |
| C1' | C2' | H4 | 111.5° | 110.4° |
| C1' | C2' | H5 | 111.5° | 110.5° |
| C4' | C5' | O5' | 111.0° | 109.5° |
| C5' | C4' | C3' | 109.6° | 110.6° |
| C5' | C4' | H7 | 110.3° | 110.5° |
| C4' | C5' | H8 | 109.1° | 109.5° |
| C4' | C5' | H9 | 109.1° | 109.4° |
| C5' | O5' | P | 117.2° | 123.0° |
| O5' | C5' | H8 | 109.1° | 109.5° |
| O5' | C5' | H9 | 109.1° | 109.5° |
| O5' | P | OP2 | 111.1° | 109.5° |
| O5' | P | OP3 | 104.1° | 109.5° |
| OP2 | P | OP3 | 109.9° | 109.5° |
| P | OP2 | H13 | 109.5° | 114.0° |
| C4' | C3' | C2' | 105.0° | 102.1° |
| C4' | C3' | O3' | 109.2° | 111.0° |
| C4' | C3' | H6 | 111.7° | 110.9° |
| C3' | C4' | H7 | 110.9° | 110.6° |
| C2' | C3' | O3' | 106.6° | 110.9° |
| C3' | C2' | H4 | 111.5° | 110.5° |
| C3' | C2' | H5 | 111.5° | 110.5° |
| C2' | C3' | H6 | 112.0° | 110.8° |
| O3' | C3' | H6 | 112.0° | 110.9° |
| C3' | O3' | H11 | 109.5° | 114.0° |
| P | OP3 | H14 | 109.5° | 114.0° |
| H4 | C2' | H5 | 109.5° | 110.5° |
| H8 | C5' | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | N1 | C2 | H10 | 180.0° | 179.9° |
| N1 | C6 | O6 | C5 | 120.8° | 116.8° |
| N1 | C6 | O6 | H1 | 119.5° | 121.7° |
| N1 | C6 | C5 | H1 | 117.5° | 119.3° |
| N1 | C6 | C5 | N7 | 159.6° | 157.5° |
| N1 | C6 | C5 | C4 | 20.7° | 22.5° |
| C6 | N1 | C2 | N3 | 26.0° | 29.3° |
| C6 | N1 | C2 | H2 | 154.0° | 150.6° |
| N1 | C6 | O6 | H12 | 180.0° | 63.2° |
| C2 | N1 | C6 | O6 | 89.5° | 82.5° |
| C2 | N1 | C6 | C5 | 30.3° | 36.6° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 4.3° | 1.9° |
| C2 | N1 | C6 | H1 | 148.0° | 155.8° |
| O6 | C6 | C5 | H1 | 122.6° | 121.5° |
| O6 | C6 | C5 | N7 | 80.5° | 83.3° |
| O6 | C6 | C5 | C4 | 99.3° | 96.6° |
| O6 | C6 | N1 | H10 | 90.5° | 97.6° |
| C6 | C5 | N7 | C4 | 179.8° | 180.0° |
| C6 | C5 | N7 | N8 | 179.8° | 180.0° |
| C6 | C5 | C4 | N3 | 0.2° | 0.1° |
| C6 | C5 | C4 | N9 | 180.0° | 179.8° |
| C5 | C6 | N1 | H10 | 149.7° | 143.3° |
| C5 | C6 | O6 | H12 | 59.2° | 180.0° |
| N7 | C5 | C4 | N3 | 180.0° | 179.9° |
| N7 | C5 | C4 | N9 | 0.1° | 0.2° |
| C5 | N7 | N8 | N9 | 0.1° | 0.2° |
| N7 | C5 | C6 | H1 | 42.1° | 38.2° |
| C5 | C4 | N3 | C2 | 10.4° | 12.5° |
| C4 | C5 | N7 | N8 | 0.0° | 0.0° |
| C5 | C4 | N3 | N9 | 179.8° | 179.6° |
| C5 | C4 | N9 | N8 | 0.2° | 0.3° |
| C5 | C4 | N9 | C1' | 179.8° | 179.7° |
| C4 | C5 | C6 | H1 | 138.2° | 141.8° |
| C2 | N3 | C4 | N9 | 169.4° | 167.8° |
| N3 | C2 | N1 | H10 | 154.0° | 150.7° |
| N7 | N8 | N9 | C4 | 0.2° | 0.3° |
| N7 | N8 | N9 | C1' | 179.8° | 179.7° |
| N3 | C4 | N9 | N8 | 180.0° | 180.0° |
| N3 | C4 | N9 | C1' | 0.4° | 0.0° |
| C4 | N3 | C2 | H2 | 175.7° | 178.0° |
| C4 | N9 | N8 | C1' | 179.6° | 180.0° |
| C4 | N9 | C1' | O4' | 121.8° | 137.1° |
| C4 | N9 | C1' | C2' | 118.7° | 105.0° |
| C4 | N9 | C1' | H3 | 1.2° | 16.0° |
| N8 | N9 | C1' | O4' | 58.6° | 42.9° |
| N8 | N9 | C1' | C2' | 60.9° | 75.0° |
| N8 | N9 | C1' | H3 | 179.2° | 164.0° |
| OP1 | P | O5' | C5' | 49.6° | 55.1° |
| OP1 | P | O5' | OP2 | 124.1° | 120.0° |
| OP1 | P | O5' | OP3 | 117.7° | 120.0° |
| OP1 | P | OP2 | OP3 | 121.4° | 120.0° |
| OP1 | P | OP2 | H13 | 0.0° | 180.0° |
| OP1 | P | OP3 | H14 | 0.0° | 60.0° |
| N9 | C1' | O4' | C2' | 119.9° | 119.5° |
| N9 | C1' | O4' | H3 | 121.4° | 121.1° |
| N9 | C1' | O4' | C4' | 121.4° | 146.0° |
| N9 | C1' | C2' | H3 | 120.7° | 120.9° |
| N9 | C1' | C2' | C3' | 144.2° | 121.6° |
| N9 | C1' | C2' | H4 | 97.2° | 119.7° |
| N9 | C1' | C2' | H5 | 25.5° | 2.9° |
| O4' | C1' | C2' | H3 | 118.9° | 119.5° |
| C1' | O4' | C4' | C5' | 96.2° | 158.7° |
| C1' | O4' | C4' | C3' | 21.5° | 40.1° |
| O4' | C1' | C2' | C3' | 23.8° | 2.1° |
| O4' | C1' | C2' | H4 | 142.4° | 120.8° |
| O4' | C1' | C2' | H5 | 94.9° | 116.6° |
| C1' | O4' | C4' | H7 | 142.5° | 78.4° |
| C4' | O4' | C1' | C2' | 1.5° | 26.6° |
| O4' | C4' | C5' | C3' | 115.8° | 114.2° |
| O4' | C4' | C5' | H7 | 121.9° | 123.0° |
| O4' | C4' | C5' | O5' | 168.9° | 70.9° |
| O4' | C4' | C3' | H7 | 121.3° | 118.5° |
| O4' | C4' | C3' | C2' | 38.0° | 37.0° |
| O4' | C4' | C3' | O3' | 76.0° | 155.2° |
| C4' | O4' | C1' | H3 | 117.3° | 92.9° |
| O4' | C4' | C3' | H6 | 159.6° | 81.1° |
| O4' | C4' | C5' | H8 | 70.9° | 169.2° |
| O4' | C4' | C5' | H9 | 48.7° | 49.1° |
| C1' | C2' | C3' | C4' | 36.6° | 20.8° |
| C1' | C2' | C3' | H4 | 118.7° | 118.6° |
| C1' | C2' | C3' | H5 | 118.7° | 118.7° |
| C1' | C2' | C3' | O3' | 79.2° | 139.1° |
| C1' | C2' | H4 | H5 | 123.8° | 122.6° |
| C1' | C2' | C3' | H6 | 157.9° | 97.3° |
| C4' | C5' | O5' | H8 | 120.2° | 120.0° |
| C4' | C5' | O5' | H9 | 120.2° | 120.0° |
| C4' | C5' | O5' | P | 134.6° | 180.0° |
| C5' | C4' | C3' | H7 | 122.0° | 122.8° |
| C5' | C4' | C3' | C2' | 78.7° | 155.7° |
| C5' | C4' | C3' | O3' | 167.3° | 86.1° |
| C5' | C4' | C3' | H6 | 42.8° | 37.6° |
| C4' | C5' | H8 | H9 | 119.4° | 120.0° |
| C5' | O5' | P | OP2 | 173.7° | 65.0° |
| O5' | C5' | C4' | C3' | 75.3° | 174.9° |
| C5' | O5' | P | OP3 | 68.1° | 175.0° |
| O5' | C5' | C4' | H7 | 47.0° | 52.1° |
| O5' | C5' | H8 | H9 | 119.3° | 120.0° |
| O5' | P | OP2 | OP3 | 114.6° | 120.0° |
| P | O5' | C5' | H8 | 105.1° | 60.1° |
| P | O5' | C5' | H9 | 14.4° | 60.0° |
| O5' | P | OP2 | H13 | 124.0° | 60.0° |
| O5' | P | OP3 | H14 | 118.6° | 180.0° |
| OP2 | P | OP3 | H14 | 122.3° | 60.0° |
| C4' | C3' | C2' | O3' | 115.8° | 118.3° |
| C4' | C3' | C2' | H6 | 121.4° | 118.2° |
| C4' | C3' | O3' | H6 | 124.2° | 123.7° |
| C4' | C3' | C2' | H4 | 155.3° | 97.8° |
| C4' | C3' | C2' | H5 | 82.1° | 139.5° |
| C3' | C4' | C5' | H8 | 44.9° | 55.0° |
| C3' | C4' | C5' | H9 | 164.5° | 65.1° |
| C4' | C3' | O3' | H11 | 180.0° | 174.2° |
| C2' | C3' | O3' | H6 | 122.9° | 123.6° |
| C3' | C2' | C1' | H3 | 95.1° | 117.4° |
| C3' | C2' | H4 | H5 | 123.8° | 122.7° |
| C2' | C3' | C4' | H7 | 159.3° | 81.5° |
| C2' | C3' | O3' | H11 | 67.1° | 61.5° |
| O3' | C3' | C2' | H4 | 39.5° | 20.4° |
| O3' | C3' | C2' | H5 | 162.2° | 102.2° |
| O3' | C3' | C4' | H7 | 45.3° | 36.7° |
| OP3 | P | OP2 | H13 | 121.4° | 60.0° |
| H1 | C6 | N1 | H10 | 32.0° | 24.1° |
| H1 | C6 | O6 | H12 | 60.5° | 58.5° |
| H2 | C2 | N1 | H10 | 26.0° | 29.5° |
| H3 | C1' | C2' | H4 | 23.6° | 1.2° |
| H3 | C1' | C2' | H5 | 146.3° | 123.9° |
| H4 | C2' | C3' | H6 | 83.4° | 144.0° |
| H5 | C2' | C3' | H6 | 39.3° | 21.4° |
| H6 | C3' | C4' | H7 | 79.1° | 160.4° |
| H6 | C3' | O3' | H11 | 55.8° | 62.1° |
| H7 | C4' | C5' | H8 | 167.2° | 67.9° |
| H7 | C4' | C5' | H9 | 73.2° | 172.1° |
