WFH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N1 | doub | 1.32Å | 1.36Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.34Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.38Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.34Å | |
| C6 | C5 | doub | 1.40Å | 1.35Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.34Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.34Å | Aromatic |
| O2' | C2' | sing | 1.43Å | 1.45Å | |
| N9 | C1' | sing | 1.46Å | 1.52Å | |
| N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.36Å | Aromatic |
| C1' | C2' | sing | 1.55Å | 1.55Å | |
| C1' | O4' | sing | 1.44Å | 1.46Å | |
| C2' | C3' | sing | 1.54Å | 1.54Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C4' | sing | 1.54Å | 1.55Å | |
| C4' | C5' | sing | 1.53Å | 1.54Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| O1P | P | doub | 1.48Å | 1.64Å | |
| O5' | P | sing | 1.61Å | 1.62Å | |
| P | N | sing | 1.68Å | 1.64Å | |
| P | O2P | sing | 1.61Å | 1.53Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| OA | C | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.49Å | |
| C | O | sing | 1.34Å | 1.27Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| O | H2 | sing | 0.97Å | 0.95Å | |
| CA | H3 | sing | 1.09Å | 1.10Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| N | H7 | sing | 1.01Å | 1.00Å | |
| O2P | H8 | sing | 0.97Å | 0.95Å | |
| C5' | H9 | sing | 1.09Å | 1.10Å | |
| C5' | H10 | sing | 1.09Å | 1.10Å | |
| C4' | H11 | sing | 1.09Å | 1.10Å | |
| C3' | H12 | sing | 1.09Å | 1.10Å | |
| O3' | H13 | sing | 0.97Å | 0.95Å | |
| C2' | H14 | sing | 1.09Å | 1.10Å | |
| O2' | H15 | sing | 0.97Å | 0.95Å | |
| C1' | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.08Å | 1.08Å | |
| N6 | H18 | sing | 0.97Å | 1.00Å | |
| N6 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C2 | N3 | 124.7° | 122.5° |
| C2 | N1 | C6 | 119.1° | 121.2° |
| N1 | C2 | H17 | 117.7° | 118.7° |
| C2 | N3 | C4 | 115.9° | 120.7° |
| N3 | C2 | H17 | 117.7° | 118.8° |
| N1 | C6 | N6 | 123.9° | 120.8° |
| N1 | C6 | C5 | 119.8° | 118.5° |
| N3 | C4 | C5 | 120.5° | 119.1° |
| N3 | C4 | N9 | 133.7° | 134.9° |
| N6 | C6 | C5 | 116.3° | 120.8° |
| C6 | N6 | H18 | 109.5° | 120.0° |
| C6 | N6 | H19 | 109.5° | 120.0° |
| C6 | C5 | C4 | 120.0° | 118.2° |
| C6 | C5 | N7 | 128.5° | 134.7° |
| C5 | C4 | N9 | 105.8° | 106.0° |
| C4 | C5 | N7 | 111.5° | 107.2° |
| C4 | N9 | C1' | 127.2° | 126.3° |
| C4 | N9 | C8 | 107.2° | 107.4° |
| C5 | N7 | C8 | 104.3° | 109.4° |
| O2' | C2' | C1' | 112.1° | 110.6° |
| O2' | C2' | C3' | 113.6° | 110.5° |
| O2' | C2' | H14 | 109.6° | 110.4° |
| C2' | O2' | H15 | 109.5° | 114.0° |
| C1' | N9 | C8 | 125.6° | 126.2° |
| N9 | C1' | C2' | 111.1° | 110.4° |
| N9 | C1' | O4' | 111.9° | 110.4° |
| N9 | C1' | H16 | 108.9° | 110.4° |
| N9 | C8 | N7 | 111.2° | 110.0° |
| N9 | C8 | H1 | 124.4° | 125.0° |
| N7 | C8 | H1 | 124.4° | 125.0° |
| C2' | C1' | O4' | 106.4° | 104.9° |
| C1' | C2' | C3' | 104.8° | 104.1° |
| C1' | C2' | H14 | 108.2° | 110.5° |
| C2' | C1' | H16 | 108.6° | 110.3° |
| C1' | O4' | C4' | 111.8° | 105.2° |
| O4' | C1' | H16 | 109.8° | 110.3° |
| C2' | C3' | O3' | 108.9° | 110.5° |
| C2' | C3' | C4' | 107.3° | 104.1° |
| C2' | C3' | H12 | 109.1° | 110.6° |
| C3' | C2' | H14 | 108.4° | 110.6° |
| O4' | C4' | C3' | 106.0° | 104.9° |
| O4' | C4' | C5' | 104.9° | 110.3° |
| O4' | C4' | H11 | 109.9° | 110.4° |
| O3' | C3' | C4' | 111.7° | 110.5° |
| O3' | C3' | H12 | 110.8° | 110.4° |
| C3' | O3' | H13 | 109.5° | 114.0° |
| C3' | C4' | C5' | 118.6° | 110.4° |
| C3' | C4' | H11 | 108.5° | 110.4° |
| C4' | C3' | H12 | 108.9° | 110.5° |
| C4' | C5' | O5' | 116.0° | 109.5° |
| C4' | C5' | H9 | 107.8° | 109.5° |
| C4' | C5' | H10 | 107.8° | 109.5° |
| C5' | C4' | H11 | 108.7° | 110.3° |
| C5' | O5' | P | 123.7° | 123.0° |
| O5' | C5' | H9 | 107.8° | 109.5° |
| O5' | C5' | H10 | 107.9° | 109.5° |
| O1P | P | O5' | 110.6° | 109.5° |
| O1P | P | N | 111.5° | 109.4° |
| O1P | P | O2P | 113.5° | 109.5° |
| O5' | P | N | 112.4° | 109.5° |
| O5' | P | O2P | 106.8° | 109.4° |
| N | P | O2P | 101.8° | 109.5° |
| P | N | CA | 116.8° | 111.0° |
| P | N | H7 | 107.6° | 111.0° |
| P | O2P | H8 | 109.5° | 114.0° |
| N | CA | C | 104.8° | 109.5° |
| N | CA | CB | 109.6° | 109.5° |
| N | CA | H3 | 110.5° | 109.5° |
| CA | N | H7 | 107.6° | 111.0° |
| OA | C | CA | 112.3° | 120.0° |
| OA | C | O | 123.7° | 119.9° |
| CA | C | O | 124.0° | 120.1° |
| C | CA | CB | 112.3° | 109.5° |
| C | CA | H3 | 110.0° | 109.4° |
| C | O | H2 | 109.5° | 117.1° |
| CB | CA | H3 | 109.5° | 109.5° |
| CA | CB | H4 | 109.5° | 109.4° |
| CA | CB | H5 | 109.5° | 109.4° |
| CA | CB | H6 | 109.5° | 109.5° |
| H4 | CB | H5 | 109.5° | 109.5° |
| H4 | CB | H6 | 109.4° | 109.5° |
| H5 | CB | H6 | 109.5° | 109.5° |
| H9 | C5' | H10 | 109.4° | 109.5° |
| H18 | N6 | H19 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | H17 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 1.1° | 0.1° |
| C2 | N1 | C6 | N6 | 178.9° | 180.0° |
| C2 | N1 | C6 | C5 | 0.9° | 0.0° |
| N3 | C2 | N1 | C6 | 0.4° | 0.1° |
| C2 | N3 | C4 | C5 | 0.6° | 0.1° |
| C2 | N3 | C4 | N9 | 178.5° | 180.0° |
| N1 | C6 | N6 | C5 | 179.8° | 180.0° |
| N1 | C6 | C5 | C4 | 1.4° | 0.0° |
| N1 | C6 | C5 | N7 | 178.8° | 180.0° |
| C6 | N1 | C2 | H17 | 179.6° | 180.0° |
| N1 | C6 | N6 | H18 | 0.0° | 180.0° |
| N1 | C6 | N6 | H19 | 120.0° | 0.0° |
| N3 | C4 | C5 | C6 | 0.6° | 0.1° |
| N3 | C4 | C5 | N9 | 179.3° | 180.0° |
| N3 | C4 | C5 | N7 | 179.6° | 180.0° |
| N3 | C4 | N9 | C1' | 0.4° | 0.1° |
| N3 | C4 | N9 | C8 | 179.5° | 179.8° |
| C4 | N3 | C2 | H17 | 178.9° | 180.0° |
| N6 | C6 | C5 | C4 | 178.4° | 180.0° |
| N6 | C6 | C5 | N7 | 1.4° | 0.0° |
| C6 | N6 | H18 | H19 | 120.0° | 180.0° |
| C6 | C5 | C4 | N7 | 179.8° | 180.0° |
| C6 | C5 | C4 | N9 | 179.9° | 180.0° |
| C6 | C5 | N7 | C8 | 179.9° | 179.8° |
| C5 | C6 | N6 | H18 | 179.8° | 0.0° |
| C5 | C6 | N6 | H19 | 59.8° | 180.0° |
| C5 | C4 | N9 | C1' | 178.8° | 179.9° |
| C5 | C4 | N9 | C8 | 0.3° | 0.2° |
| C4 | C5 | N7 | C8 | 0.1° | 0.2° |
| N9 | C4 | C5 | N7 | 0.3° | 0.0° |
| C4 | N9 | C1' | C8 | 179.0° | 180.0° |
| C4 | N9 | C8 | N7 | 0.2° | 0.3° |
| C4 | N9 | C1' | C2' | 137.0° | 85.0° |
| C4 | N9 | C1' | O4' | 104.2° | 159.5° |
| C4 | N9 | C8 | H1 | 179.8° | 180.0° |
| C4 | N9 | C1' | H16 | 17.4° | 37.3° |
| C5 | N7 | C8 | N9 | 0.1° | 0.3° |
| C5 | N7 | C8 | H1 | 179.9° | 180.0° |
| O2' | C2' | C1' | N9 | 131.5° | 98.4° |
| O2' | C2' | C1' | C3' | 123.6° | 118.7° |
| O2' | C2' | C1' | H14 | 120.9° | 122.6° |
| O2' | C2' | C1' | O4' | 106.4° | 142.6° |
| O2' | C2' | C3' | H14 | 122.0° | 122.5° |
| O2' | C2' | C3' | O3' | 7.0° | 0.1° |
| O2' | C2' | C3' | C4' | 114.0° | 118.8° |
| O2' | C2' | C3' | H12 | 128.1° | 122.5° |
| O2' | C2' | C1' | H16 | 11.7° | 23.9° |
| C1' | N9 | C8 | N7 | 178.9° | 179.8° |
| N9 | C1' | C2' | O4' | 122.1° | 118.9° |
| N9 | C1' | C2' | H16 | 119.8° | 122.3° |
| N9 | C1' | O4' | H16 | 121.1° | 122.3° |
| N9 | C1' | C2' | C3' | 104.9° | 142.9° |
| N9 | C1' | O4' | C4' | 101.1° | 159.3° |
| C1' | N9 | C8 | H1 | 1.1° | 0.1° |
| N9 | C1' | C2' | H14 | 10.6° | 24.2° |
| N9 | C8 | N7 | H1 | 180.0° | 179.7° |
| C8 | N9 | C1' | C2' | 42.0° | 95.0° |
| C8 | N9 | C1' | O4' | 76.8° | 20.5° |
| C8 | N9 | C1' | H16 | 161.6° | 142.8° |
| C2' | C1' | O4' | H16 | 117.3° | 118.8° |
| C1' | C2' | C3' | H14 | 115.3° | 118.7° |
| C2' | C1' | O4' | C4' | 20.5° | 40.4° |
| C1' | C2' | C3' | O3' | 129.7° | 118.7° |
| C1' | C2' | C3' | C4' | 8.6° | 0.0° |
| C1' | C2' | C3' | H12 | 109.3° | 118.7° |
| C1' | C2' | O2' | H15 | 180.0° | 176.2° |
| O4' | C1' | C2' | C3' | 17.2° | 23.9° |
| C1' | O4' | C4' | C3' | 14.8° | 40.4° |
| C1' | O4' | C4' | C5' | 111.4° | 159.3° |
| C1' | O4' | C4' | H11 | 131.9° | 78.5° |
| O4' | C1' | C2' | H14 | 132.7° | 94.8° |
| C2' | C3' | C4' | O4' | 3.1° | 23.9° |
| C2' | C3' | O3' | C4' | 118.3° | 114.7° |
| C2' | C3' | O3' | H12 | 120.0° | 122.8° |
| C2' | C3' | C4' | H12 | 118.0° | 118.8° |
| C2' | C3' | C4' | C5' | 114.3° | 142.8° |
| C2' | C3' | C4' | H11 | 121.0° | 95.0° |
| C2' | C3' | O3' | H13 | 180.0° | 65.3° |
| C3' | C2' | O2' | H15 | 61.5° | 61.4° |
| C3' | C2' | C1' | H16 | 135.4° | 94.8° |
| O4' | C4' | C3' | O3' | 116.3° | 142.6° |
| O4' | C4' | C3' | C5' | 117.4° | 118.9° |
| O4' | C4' | C3' | H11 | 118.0° | 118.9° |
| O4' | C4' | C5' | H11 | 117.5° | 122.2° |
| O4' | C4' | C5' | O5' | 166.6° | 68.0° |
| O4' | C4' | C5' | H9 | 45.6° | 52.1° |
| O4' | C4' | C5' | H10 | 72.4° | 172.1° |
| O4' | C4' | C3' | H12 | 121.1° | 94.9° |
| C4' | O4' | C1' | H16 | 137.9° | 78.4° |
| O3' | C3' | C4' | H12 | 122.7° | 122.5° |
| O3' | C3' | C4' | C5' | 126.3° | 98.5° |
| O3' | C3' | C4' | H11 | 1.7° | 23.7° |
| O3' | C3' | C2' | H14 | 115.0° | 122.7° |
| C3' | C4' | C5' | H11 | 124.5° | 122.3° |
| C3' | C4' | C5' | O5' | 48.6° | 176.6° |
| C3' | C4' | C5' | H9 | 72.3° | 63.4° |
| C3' | C4' | C5' | H10 | 169.6° | 56.6° |
| C4' | C3' | O3' | H13 | 61.6° | 180.0° |
| C4' | C3' | C2' | H14 | 123.9° | 118.7° |
| C4' | C5' | O5' | H9 | 121.0° | 120.0° |
| C4' | C5' | O5' | H10 | 120.9° | 120.0° |
| C4' | C5' | O5' | P | 137.3° | 180.0° |
| C4' | C5' | H9 | H10 | 117.0° | 120.0° |
| C5' | C4' | C3' | H12 | 3.7° | 24.0° |
| C5' | O5' | P | O1P | 60.8° | 45.0° |
| C5' | O5' | P | N | 64.5° | 75.0° |
| C5' | O5' | P | O2P | 175.4° | 165.0° |
| O5' | C5' | H9 | H10 | 117.1° | 120.0° |
| O5' | C5' | C4' | H11 | 75.9° | 54.2° |
| O1P | P | O5' | N | 125.3° | 120.0° |
| O1P | P | O5' | O2P | 123.9° | 120.0° |
| O1P | P | N | O2P | 121.3° | 120.0° |
| O1P | P | N | CA | 159.8° | 180.0° |
| O1P | P | N | H7 | 38.7° | 56.1° |
| O1P | P | O2P | H8 | 0.0° | 180.0° |
| O5' | P | N | O2P | 113.9° | 120.0° |
| O5' | P | N | CA | 75.4° | 60.0° |
| O5' | P | N | H7 | 163.6° | 176.0° |
| O5' | P | O2P | H8 | 122.1° | 60.0° |
| P | O5' | C5' | H9 | 16.3° | 59.9° |
| P | O5' | C5' | H10 | 101.8° | 60.0° |
| P | N | CA | H7 | 121.1° | 123.9° |
| P | N | CA | C | 119.0° | 145.0° |
| P | N | CA | CB | 120.2° | 94.9° |
| P | N | CA | H3 | 0.6° | 25.1° |
| N | P | O2P | H8 | 119.9° | 60.0° |
| O2P | P | N | CA | 38.5° | 59.9° |
| O2P | P | N | H7 | 82.6° | 64.0° |
| N | CA | C | OA | 69.2° | 0.1° |
| N | CA | C | CB | 119.0° | 120.1° |
| N | CA | C | H3 | 118.8° | 120.0° |
| N | CA | C | O | 109.9° | 180.0° |
| N | CA | CB | H3 | 121.4° | 120.0° |
| N | CA | CB | H4 | 180.0° | 60.0° |
| N | CA | CB | H5 | 60.0° | 180.0° |
| N | CA | CB | H6 | 60.0° | 60.0° |
| OA | C | CA | O | 179.1° | 179.9° |
| OA | C | CA | CB | 49.8° | 119.9° |
| OA | C | O | H2 | 0.0° | 0.1° |
| OA | C | CA | H3 | 172.0° | 120.1° |
| C | CA | CB | H3 | 122.5° | 119.9° |
| CA | C | O | H2 | 178.9° | 180.0° |
| C | CA | CB | H4 | 63.8° | 60.0° |
| C | CA | CB | H5 | 176.2° | 59.9° |
| C | CA | CB | H6 | 56.1° | 180.0° |
| C | CA | N | H7 | 119.9° | 91.1° |
| O | C | CA | CB | 131.1° | 59.9° |
| O | C | CA | H3 | 8.9° | 60.0° |
| CA | CB | H4 | H5 | 120.0° | 119.9° |
| CA | CB | H4 | H6 | 120.0° | 120.0° |
| CA | CB | H5 | H6 | 120.0° | 120.0° |
| CB | CA | N | H7 | 0.9° | 29.0° |
| H3 | CA | CB | H4 | 58.6° | 180.0° |
| H3 | CA | CB | H5 | 61.4° | 60.0° |
| H3 | CA | CB | H6 | 178.6° | 60.0° |
| H3 | CA | N | H7 | 121.7° | 149.0° |
| H4 | CB | H5 | H6 | 120.0° | 120.1° |
| H9 | C5' | C4' | H11 | 163.1° | 174.3° |
| H10 | C5' | C4' | H11 | 45.1° | 65.7° |
| H11 | C4' | C3' | H12 | 120.9° | 146.2° |
| H12 | C3' | O3' | H13 | 60.0° | 57.4° |
| H12 | C3' | C2' | H14 | 6.1° | 0.1° |
| H14 | C2' | O2' | H15 | 59.9° | 61.2° |
| H14 | C2' | C1' | H16 | 109.2° | 146.5° |
