WFL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C6 | sing | 1.38Å | 1.44Å | |
| C6 | N1 | doub | 1.33Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.38Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.35Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.39Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.36Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.36Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.38Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.36Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.35Å | Aromatic |
| N9 | C1' | sing | 1.47Å | 1.51Å | |
| C1' | C2' | sing | 1.55Å | 1.53Å | |
| C1' | O4' | sing | 1.44Å | 1.43Å | |
| O2' | C2' | sing | 1.43Å | 1.44Å | |
| C2' | C3' | sing | 1.54Å | 1.52Å | |
| O4' | C4' | sing | 1.44Å | 1.44Å | |
| C4' | C3' | sing | 1.54Å | 1.54Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| N | CA | sing | 1.47Å | 1.45Å | |
| N | P | sing | 1.68Å | 1.67Å | |
| O5' | P | sing | 1.61Å | 1.61Å | |
| CA | CB | sing | 1.53Å | 1.51Å | |
| CB | CC | sing | 1.53Å | 1.52Å | |
| P | O2P | doub | 1.48Å | 1.52Å | |
| P | O1P | sing | 1.61Å | 1.51Å | |
| CC | CD | sing | 1.53Å | 1.52Å | |
| O1P | H1 | sing | 0.97Å | 0.95Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | H3 | sing | 1.09Å | 1.10Å | |
| CA | H4 | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CC | H6 | sing | 1.09Å | 1.10Å | |
| CD | H7 | sing | 1.09Å | 1.10Å | |
| CD | H8 | sing | 1.09Å | 1.10Å | |
| CD | H9 | sing | 1.09Å | 1.10Å | |
| C5' | H10 | sing | 1.09Å | 1.10Å | |
| C5' | H11 | sing | 1.09Å | 1.10Å | |
| C4' | H12 | sing | 1.09Å | 1.10Å | |
| C3' | H13 | sing | 1.09Å | 1.10Å | |
| O3' | H14 | sing | 0.97Å | 0.95Å | |
| C2' | H15 | sing | 1.09Å | 1.10Å | |
| O2' | H16 | sing | 0.97Å | 0.95Å | |
| C1' | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.08Å | 1.08Å | |
| C2 | H19 | sing | 1.08Å | 1.08Å | |
| N6 | H20 | sing | 0.97Å | 1.00Å | |
| N6 | H21 | sing | 0.97Å | 1.00Å | |
| CB | H22 | sing | 1.09Å | 1.10Å | |
| CC | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C6 | N1 | 124.6° | 120.8° |
| N6 | C6 | C5 | 113.4° | 120.7° |
| C6 | N6 | H20 | 109.5° | 120.0° |
| C6 | N6 | H21 | 109.5° | 120.0° |
| N1 | C6 | C5 | 122.0° | 118.4° |
| C6 | N1 | C2 | 117.6° | 121.2° |
| C6 | C5 | N7 | 131.6° | 134.7° |
| C6 | C5 | C4 | 119.1° | 118.2° |
| N1 | C2 | N3 | 121.8° | 122.4° |
| N1 | C2 | H19 | 119.1° | 118.7° |
| N7 | C5 | C4 | 109.3° | 107.1° |
| C5 | N7 | C8 | 106.4° | 109.5° |
| C5 | C4 | N3 | 117.8° | 119.1° |
| C5 | C4 | N9 | 106.7° | 106.0° |
| N7 | C8 | N9 | 109.8° | 109.9° |
| N7 | C8 | H18 | 125.1° | 125.0° |
| C2 | N3 | C4 | 121.7° | 120.7° |
| N3 | C2 | H19 | 119.1° | 118.8° |
| N3 | C4 | N9 | 135.5° | 134.9° |
| C4 | N9 | C8 | 107.8° | 107.4° |
| C4 | N9 | C1' | 126.7° | 126.3° |
| C8 | N9 | C1' | 125.4° | 126.3° |
| N9 | C8 | H18 | 125.1° | 125.0° |
| N9 | C1' | C2' | 118.0° | 110.3° |
| N9 | C1' | O4' | 115.8° | 110.4° |
| N9 | C1' | H17 | 105.9° | 110.4° |
| C2' | C1' | O4' | 104.0° | 104.8° |
| C1' | C2' | O2' | 114.7° | 110.6° |
| C1' | C2' | C3' | 102.3° | 104.0° |
| C1' | C2' | H15 | 109.3° | 110.5° |
| C2' | C1' | H17 | 105.6° | 110.4° |
| C1' | O4' | C4' | 105.4° | 105.3° |
| O4' | C1' | H17 | 106.7° | 110.4° |
| O2' | C2' | C3' | 110.1° | 110.5° |
| O2' | C2' | H15 | 110.6° | 110.4° |
| C2' | O2' | H16 | 109.5° | 114.1° |
| C2' | C3' | C4' | 105.7° | 104.1° |
| C2' | C3' | O3' | 111.2° | 110.5° |
| C2' | C3' | H13 | 109.2° | 110.6° |
| C3' | C2' | H15 | 109.4° | 110.6° |
| O4' | C4' | C3' | 104.9° | 104.8° |
| O4' | C4' | C5' | 110.2° | 110.4° |
| O4' | C4' | H12 | 108.9° | 110.5° |
| C3' | C4' | C5' | 117.1° | 110.4° |
| C4' | C3' | O3' | 111.4° | 110.6° |
| C3' | C4' | H12 | 107.7° | 110.3° |
| C4' | C3' | H13 | 108.9° | 110.5° |
| C4' | C5' | O5' | 112.1° | 109.5° |
| C4' | C5' | H10 | 108.8° | 109.5° |
| C4' | C5' | H11 | 108.8° | 109.5° |
| C5' | C4' | H12 | 107.7° | 110.3° |
| O3' | C3' | H13 | 110.3° | 110.4° |
| C3' | O3' | H14 | 109.5° | 114.0° |
| C5' | O5' | P | 121.4° | 123.0° |
| O5' | C5' | H10 | 108.8° | 109.4° |
| O5' | C5' | H11 | 108.8° | 109.4° |
| CA | N | P | 122.6° | 110.9° |
| N | CA | CB | 112.1° | 109.5° |
| CA | N | H2 | 106.1° | 111.0° |
| N | CA | H3 | 108.8° | 109.4° |
| N | CA | H4 | 108.8° | 109.5° |
| N | P | O5' | 107.2° | 109.5° |
| N | P | O2P | 111.3° | 109.4° |
| N | P | O1P | 110.5° | 109.5° |
| P | N | H2 | 106.1° | 111.0° |
| O5' | P | O2P | 109.3° | 109.5° |
| O5' | P | O1P | 109.7° | 109.5° |
| CA | CB | CC | 122.2° | 109.5° |
| CB | CA | H3 | 108.8° | 109.4° |
| CB | CA | H4 | 108.8° | 109.5° |
| CA | CB | H5 | 106.2° | 109.5° |
| CA | CB | H22 | 106.2° | 109.5° |
| CB | CC | CD | 122.5° | 109.5° |
| CC | CB | H5 | 106.2° | 109.5° |
| CB | CC | H6 | 106.1° | 109.5° |
| CC | CB | H22 | 106.2° | 109.5° |
| CB | CC | H23 | 106.1° | 109.4° |
| O2P | P | O1P | 108.9° | 109.5° |
| P | O1P | H1 | 109.5° | 113.9° |
| CD | CC | H6 | 106.1° | 109.5° |
| CC | CD | H7 | 109.5° | 109.5° |
| CC | CD | H8 | 109.5° | 109.5° |
| CC | CD | H9 | 109.5° | 109.5° |
| CD | CC | H23 | 106.1° | 109.5° |
| H3 | CA | H4 | 109.5° | 109.5° |
| H5 | CB | H22 | 109.5° | 109.5° |
| H6 | CC | H23 | 109.4° | 109.4° |
| H7 | CD | H8 | 109.5° | 109.5° |
| H7 | CD | H9 | 109.5° | 109.4° |
| H8 | CD | H9 | 109.5° | 109.5° |
| H10 | C5' | H11 | 109.5° | 109.5° |
| H20 | N6 | H21 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C6 | N1 | C5 | 179.9° | 179.7° |
| N6 | C6 | N1 | C2 | 179.3° | 180.0° |
| N6 | C6 | C5 | N7 | 0.9° | 0.3° |
| N6 | C6 | C5 | C4 | 179.7° | 180.0° |
| C6 | N6 | H20 | H21 | 120.0° | 179.9° |
| N1 | C6 | C5 | N7 | 179.2° | 179.9° |
| N1 | C6 | C5 | C4 | 0.2° | 0.4° |
| C6 | N1 | C2 | N3 | 1.1° | 0.2° |
| C6 | N1 | C2 | H19 | 178.9° | 179.8° |
| N1 | C6 | N6 | H20 | 0.0° | 0.1° |
| N1 | C6 | N6 | H21 | 120.0° | 180.0° |
| C5 | C6 | N1 | C2 | 0.8° | 0.4° |
| C6 | C5 | N7 | C4 | 179.4° | 179.7° |
| C6 | C5 | N7 | C8 | 179.8° | 180.0° |
| C6 | C5 | C4 | N3 | 1.0° | 0.2° |
| C6 | C5 | C4 | N9 | 179.3° | 179.8° |
| C5 | C6 | N6 | H20 | 179.9° | 179.6° |
| C5 | C6 | N6 | H21 | 60.1° | 0.4° |
| N1 | C2 | N3 | H19 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.3° | 0.0° |
| N7 | C5 | C4 | N3 | 178.5° | 180.0° |
| N7 | C5 | C4 | N9 | 0.2° | 0.0° |
| C5 | N7 | C8 | N9 | 1.4° | 0.4° |
| C5 | N7 | C8 | H18 | 178.5° | 180.0° |
| C4 | C5 | N7 | C8 | 0.7° | 0.2° |
| C5 | C4 | N3 | C2 | 0.7° | 0.0° |
| C5 | C4 | N3 | N9 | 177.7° | 179.9° |
| C5 | C4 | N9 | C8 | 1.1° | 0.2° |
| C5 | C4 | N9 | C1' | 177.2° | 179.9° |
| N7 | C8 | N9 | C4 | 1.6° | 0.4° |
| N7 | C8 | N9 | H18 | 180.0° | 179.6° |
| N7 | C8 | N9 | C1' | 177.8° | 179.9° |
| C2 | N3 | C4 | N9 | 178.4° | 179.9° |
| N3 | C4 | N9 | C8 | 179.0° | 179.8° |
| N3 | C4 | N9 | C1' | 4.9° | 0.1° |
| C4 | N3 | C2 | H19 | 179.7° | 180.0° |
| C4 | N9 | C8 | C1' | 176.2° | 179.7° |
| C4 | N9 | C1' | C2' | 161.9° | 85.0° |
| C4 | N9 | C1' | O4' | 37.8° | 159.6° |
| C4 | N9 | C1' | H17 | 80.2° | 37.3° |
| C4 | N9 | C8 | H18 | 178.4° | 180.0° |
| C8 | N9 | C1' | C2' | 22.6° | 95.3° |
| C8 | N9 | C1' | O4' | 146.8° | 20.1° |
| C8 | N9 | C1' | H17 | 95.3° | 142.4° |
| N9 | C1' | C2' | O4' | 129.8° | 118.8° |
| N9 | C1' | C2' | H17 | 118.0° | 122.3° |
| N9 | C1' | O4' | H17 | 117.5° | 122.3° |
| N9 | C1' | C2' | O2' | 77.1° | 98.5° |
| N9 | C1' | C2' | C3' | 163.7° | 142.8° |
| N9 | C1' | O4' | C4' | 174.7° | 159.3° |
| N9 | C1' | C2' | H15 | 47.8° | 24.1° |
| C1' | N9 | C8 | H18 | 2.2° | 0.2° |
| C2' | C1' | O4' | H17 | 111.4° | 118.9° |
| C1' | C2' | O2' | C3' | 114.8° | 114.7° |
| C1' | C2' | O2' | H15 | 124.1° | 122.7° |
| C1' | C2' | C3' | H15 | 115.8° | 118.7° |
| C2' | C1' | O4' | C4' | 43.6° | 40.5° |
| C1' | C2' | C3' | C4' | 12.6° | 0.0° |
| C1' | C2' | C3' | O3' | 108.5° | 118.7° |
| C1' | C2' | C3' | H13 | 129.6° | 118.7° |
| C1' | C2' | O2' | H16 | 180.0° | 176.2° |
| O4' | C1' | C2' | O2' | 153.1° | 142.7° |
| O4' | C1' | C2' | C3' | 33.8° | 24.0° |
| C1' | O4' | C4' | C3' | 34.9° | 40.5° |
| C1' | O4' | C4' | C5' | 161.8° | 159.3° |
| C1' | O4' | C4' | H12 | 80.2° | 78.4° |
| O4' | C1' | C2' | H15 | 82.1° | 94.7° |
| O2' | C2' | C3' | H15 | 121.8° | 122.6° |
| O2' | C2' | C3' | C4' | 135.0° | 118.8° |
| O2' | C2' | C3' | O3' | 14.0° | 0.1° |
| O2' | C2' | C3' | H13 | 108.0° | 122.5° |
| O2' | C2' | C1' | H17 | 41.0° | 23.8° |
| C2' | C3' | C4' | O4' | 12.6° | 23.9° |
| C2' | C3' | C4' | O3' | 120.9° | 118.7° |
| C2' | C3' | C4' | H13 | 117.2° | 118.8° |
| C2' | C3' | C4' | C5' | 135.1° | 142.8° |
| C2' | C3' | O3' | H13 | 121.3° | 122.7° |
| C2' | C3' | C4' | H12 | 103.3° | 95.0° |
| C2' | C3' | O3' | H14 | 180.0° | 65.3° |
| C3' | C2' | O2' | H16 | 65.2° | 61.5° |
| C3' | C2' | C1' | H17 | 78.3° | 94.9° |
| O4' | C4' | C3' | C5' | 122.6° | 118.9° |
| O4' | C4' | C3' | H12 | 115.9° | 118.9° |
| O4' | C4' | C5' | H12 | 118.7° | 122.4° |
| O4' | C4' | C3' | O3' | 133.5° | 142.6° |
| O4' | C4' | C5' | O5' | 147.6° | 69.6° |
| O4' | C4' | C5' | H10 | 27.2° | 50.4° |
| O4' | C4' | C5' | H11 | 92.0° | 170.4° |
| O4' | C4' | C3' | H13 | 104.6° | 94.8° |
| C4' | O4' | C1' | H17 | 67.8° | 78.4° |
| C3' | C4' | C5' | H12 | 121.5° | 122.2° |
| C4' | C3' | O3' | H13 | 121.1° | 122.6° |
| C3' | C4' | C5' | O5' | 27.8° | 175.0° |
| C3' | C4' | C5' | H10 | 92.6° | 65.1° |
| C3' | C4' | C5' | H11 | 148.2° | 55.0° |
| C4' | C3' | O3' | H14 | 62.4° | 180.0° |
| C4' | C3' | C2' | H15 | 103.2° | 118.6° |
| C5' | C4' | C3' | O3' | 103.9° | 98.5° |
| C4' | C5' | O5' | H10 | 120.4° | 120.0° |
| C4' | C5' | O5' | H11 | 120.4° | 120.1° |
| C4' | C5' | O5' | P | 96.8° | 180.0° |
| C4' | C5' | H10 | H11 | 118.8° | 120.1° |
| C5' | C4' | C3' | H13 | 17.9° | 24.1° |
| O3' | C3' | C4' | H12 | 17.6° | 23.7° |
| O3' | C3' | C2' | H15 | 135.7° | 122.7° |
| C5' | O5' | P | N | 6.3° | 75.0° |
| C5' | O5' | P | O2P | 127.0° | 44.9° |
| C5' | O5' | P | O1P | 113.7° | 165.0° |
| O5' | C5' | H10 | H11 | 118.8° | 119.9° |
| O5' | C5' | C4' | H12 | 93.7° | 52.8° |
| CA | N | P | H2 | 121.8° | 123.9° |
| CA | N | P | O5' | 145.9° | 60.0° |
| N | CA | CB | H3 | 120.4° | 119.9° |
| N | CA | CB | H4 | 120.4° | 120.0° |
| N | CA | CB | CC | 18.5° | 180.0° |
| CA | N | P | O2P | 94.7° | 180.0° |
| CA | N | P | O1P | 26.4° | 60.0° |
| N | CA | H3 | H4 | 118.8° | 120.1° |
| N | CA | CB | H5 | 140.3° | 60.0° |
| N | CA | CB | H22 | 103.3° | 60.0° |
| N | P | O5' | O2P | 120.7° | 119.9° |
| N | P | O5' | O1P | 120.0° | 120.0° |
| P | N | CA | CB | 89.9° | 135.0° |
| N | P | O2P | O1P | 122.1° | 119.9° |
| N | P | O1P | H1 | 122.6° | 60.1° |
| P | N | CA | H3 | 30.5° | 105.0° |
| P | N | CA | H4 | 149.7° | 15.0° |
| O5' | P | O2P | O1P | 119.7° | 120.1° |
| O5' | P | O1P | H1 | 119.5° | 60.0° |
| O5' | P | N | H2 | 24.1° | 63.9° |
| P | O5' | C5' | H10 | 23.6° | 60.0° |
| P | O5' | C5' | H11 | 142.9° | 59.9° |
| CA | CB | CC | H5 | 121.7° | 120.0° |
| CA | CB | CC | H22 | 121.8° | 120.0° |
| CA | CB | CC | CD | 177.5° | 180.0° |
| CB | CA | N | H2 | 31.9° | 101.1° |
| CB | CA | H3 | H4 | 118.8° | 120.0° |
| CA | CB | H5 | H22 | 114.3° | 120.0° |
| CA | CB | CC | H6 | 60.7° | 60.0° |
| CA | CB | CC | H23 | 55.7° | 59.9° |
| CB | CC | CD | H6 | 121.8° | 120.0° |
| CB | CC | CD | H23 | 121.8° | 120.0° |
| CC | CB | CA | H3 | 101.9° | 60.0° |
| CC | CB | CA | H4 | 138.9° | 60.0° |
| CC | CB | H5 | H22 | 114.3° | 120.0° |
| CB | CC | H6 | H23 | 114.1° | 119.9° |
| CB | CC | CD | H7 | 180.0° | 60.0° |
| CB | CC | CD | H8 | 60.0° | 60.0° |
| CB | CC | CD | H9 | 60.0° | 180.0° |
| O2P | P | O1P | H1 | 0.0° | 180.0° |
| O2P | P | N | H2 | 143.5° | 56.1° |
| O1P | P | N | H2 | 95.4° | 176.1° |
| CD | CC | CB | H5 | 55.8° | 60.0° |
| CD | CC | H6 | H23 | 114.1° | 120.0° |
| CC | CD | H7 | H8 | 120.0° | 120.0° |
| CC | CD | H7 | H9 | 120.0° | 120.0° |
| CC | CD | H8 | H9 | 120.0° | 120.0° |
| CD | CC | CB | H22 | 60.7° | 60.0° |
| H2 | N | CA | H3 | 152.3° | 18.9° |
| H2 | N | CA | H4 | 88.5° | 138.9° |
| H3 | CA | CB | H5 | 19.9° | 180.0° |
| H3 | CA | CB | H22 | 136.4° | 60.0° |
| H4 | CA | CB | H5 | 99.3° | 60.0° |
| H4 | CA | CB | H22 | 17.1° | 180.0° |
| H5 | CB | CC | H6 | 177.6° | 180.0° |
| H5 | CB | CC | H23 | 66.1° | 60.1° |
| H6 | CC | CD | H7 | 58.2° | 179.9° |
| H6 | CC | CD | H8 | 178.2° | 60.0° |
| H6 | CC | CD | H9 | 61.8° | 60.0° |
| H6 | CC | CB | H22 | 61.1° | 60.0° |
| H7 | CD | H8 | H9 | 120.0° | 120.0° |
| H7 | CD | CC | H23 | 58.2° | 60.0° |
| H8 | CD | CC | H23 | 61.9° | 180.0° |
| H9 | CD | CC | H23 | 178.2° | 60.0° |
| H10 | C5' | C4' | H12 | 145.9° | 172.8° |
| H11 | C5' | C4' | H12 | 26.7° | 67.2° |
| H12 | C4' | C3' | H13 | 139.5° | 146.2° |
| H13 | C3' | O3' | H14 | 58.7° | 57.4° |
| H13 | C3' | C2' | H15 | 13.8° | 0.1° |
| H15 | C2' | O2' | H16 | 55.9° | 61.1° |
| H15 | C2' | C1' | H17 | 165.8° | 146.4° |
| H22 | CB | CC | H23 | 177.5° | 179.9° |
