HR4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2P | P | doub | 1.48Å | 1.78Å | |
| O5' | C5' | sing | 1.45Å | 1.44Å | |
| O5' | P | sing | 1.62Å | 1.62Å | |
| C5' | C4' | sing | 1.52Å | 1.52Å | |
| P | O3' | sing | 1.63Å | 1.61Å | |
| P | S2 | sing | 2.12Å | 1.95Å | |
| C4' | O4' | sing | 1.43Å | 1.43Å | |
| C4' | C3' | sing | 1.55Å | 1.51Å | |
| O3' | C3' | sing | 1.43Å | 1.42Å | |
| O4' | C1' | sing | 1.45Å | 1.44Å | |
| C3' | C2' | sing | 1.53Å | 1.51Å | |
| O2' | C2' | sing | 1.43Å | 1.43Å | |
| C1' | C2' | sing | 1.55Å | 1.52Å | |
| C1' | N9 | sing | 1.46Å | 1.49Å | |
| N3 | C4 | doub | 1.33Å | 1.36Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
| N9 | C4 | sing | 1.38Å | 1.34Å | Aromatic |
| N9 | C8 | sing | 1.37Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.48Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| S1 | C8 | sing | 1.76Å | 1.75Å | |
| S1 | C9 | sing | 1.81Å | 1.77Å | |
| C8 | N7 | doub | 1.31Å | 1.35Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.35Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.48Å | Aromatic |
| C6 | N6 | sing | 1.39Å | 1.35Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C15 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | F1 | sing | 1.35Å | 1.34Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| N6 | H7 | sing | 0.97Å | 1.00Å | |
| N6 | H8 | sing | 0.97Å | 1.00Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| C1' | H10 | sing | 1.09Å | 1.10Å | |
| C2' | H11 | sing | 1.09Å | 1.10Å | |
| O2' | H12 | sing | 0.97Å | 0.95Å | |
| C4' | H13 | sing | 1.09Å | 1.10Å | |
| C3' | H14 | sing | 1.09Å | 1.10Å | |
| C5' | H15 | sing | 1.09Å | 1.10Å | |
| C5' | H16 | sing | 1.09Å | 1.10Å | |
| S2 | H17 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2P | P | O5' | 112.6° | 110.0° |
| O2P | P | O3' | 110.5° | 110.0° |
| O2P | P | S2 | 110.9° | 110.0° |
| C5' | O5' | P | 120.5° | 120.2° |
| O5' | C5' | C4' | 106.6° | 106.8° |
| O5' | C5' | H15 | 110.2° | 110.0° |
| O5' | C5' | H16 | 110.2° | 110.1° |
| O5' | P | O3' | 104.2° | 106.9° |
| O5' | P | S2 | 108.0° | 110.0° |
| C5' | C4' | O4' | 116.3° | 116.6° |
| C5' | C4' | C3' | 109.8° | 109.0° |
| C5' | C4' | H13 | 108.5° | 108.9° |
| C4' | C5' | H15 | 110.2° | 109.9° |
| C4' | C5' | H16 | 110.2° | 110.0° |
| O3' | P | S2 | 110.5° | 110.0° |
| P | O3' | C3' | 114.2° | 116.6° |
| P | S2 | H17 | 102.0° | 103.0° |
| O4' | C4' | C3' | 103.5° | 102.9° |
| C4' | O4' | C1' | 108.4° | 105.5° |
| O4' | C4' | H13 | 109.8° | 109.5° |
| C4' | C3' | O3' | 108.3° | 106.2° |
| C4' | C3' | C2' | 102.9° | 101.0° |
| C3' | C4' | H13 | 108.6° | 109.5° |
| C4' | C3' | H14 | 108.6° | 111.5° |
| O3' | C3' | C2' | 117.8° | 114.6° |
| O3' | C3' | H14 | 109.9° | 111.8° |
| O4' | C1' | C2' | 107.8° | 107.1° |
| O4' | C1' | N9 | 109.0° | 109.9° |
| O4' | C1' | H10 | 110.2° | 110.0° |
| C3' | C2' | O2' | 110.7° | 110.8° |
| C3' | C2' | C1' | 101.6° | 103.3° |
| C3' | C2' | H11 | 111.1° | 110.7° |
| C2' | C3' | H14 | 108.7° | 111.3° |
| O2' | C2' | C1' | 109.9° | 110.7° |
| O2' | C2' | H11 | 112.3° | 110.6° |
| C2' | O2' | H12 | 109.5° | 114.0° |
| C2' | C1' | N9 | 111.2° | 109.9° |
| C2' | C1' | H10 | 109.1° | 109.9° |
| C1' | C2' | H11 | 110.8° | 110.6° |
| C1' | N9 | C4 | 127.4° | 126.3° |
| C1' | N9 | C8 | 127.7° | 126.3° |
| N9 | C1' | H10 | 109.5° | 109.9° |
| C4 | N3 | C2 | 121.5° | 120.6° |
| N3 | C4 | N9 | 134.7° | 134.7° |
| N3 | C4 | C5 | 118.3° | 119.1° |
| N3 | C2 | N1 | 123.2° | 122.5° |
| N3 | C2 | H9 | 118.4° | 118.7° |
| C4 | N9 | C8 | 104.8° | 107.4° |
| N9 | C4 | C5 | 107.0° | 106.2° |
| N9 | C8 | S1 | 122.9° | 125.2° |
| N9 | C8 | N7 | 116.5° | 109.7° |
| C4 | C5 | N7 | 107.8° | 107.3° |
| C4 | C5 | C6 | 116.9° | 118.2° |
| C2 | N1 | C6 | 121.9° | 121.2° |
| N1 | C2 | H9 | 118.4° | 118.8° |
| C8 | S1 | C9 | 108.1° | 100.0° |
| S1 | C8 | N7 | 120.6° | 125.1° |
| S1 | C9 | C10 | 112.2° | 109.5° |
| S1 | C9 | H5 | 108.8° | 109.5° |
| S1 | C9 | H6 | 108.8° | 109.5° |
| C8 | N7 | C5 | 103.9° | 109.4° |
| N1 | C6 | C5 | 118.2° | 118.4° |
| N1 | C6 | N6 | 121.1° | 120.8° |
| N7 | C5 | C6 | 135.3° | 134.5° |
| C5 | C6 | N6 | 120.7° | 120.8° |
| C6 | N6 | H7 | 109.5° | 120.0° |
| C6 | N6 | H8 | 109.5° | 120.0° |
| C9 | C10 | C15 | 119.9° | 120.0° |
| C9 | C10 | C11 | 119.8° | 120.0° |
| C10 | C9 | H5 | 108.8° | 109.5° |
| C10 | C9 | H6 | 108.8° | 109.5° |
| C10 | C15 | C14 | 119.9° | 120.0° |
| C15 | C10 | C11 | 120.3° | 120.0° |
| C10 | C15 | H2 | 120.1° | 120.0° |
| C15 | C14 | C13 | 119.6° | 120.0° |
| C15 | C14 | H1 | 120.2° | 120.0° |
| C14 | C15 | H2 | 120.1° | 120.0° |
| C10 | C11 | C12 | 120.0° | 120.0° |
| C10 | C11 | H4 | 120.0° | 120.0° |
| C14 | C13 | C12 | 120.6° | 120.0° |
| C14 | C13 | F1 | 119.7° | 120.0° |
| C13 | C14 | H1 | 120.2° | 120.1° |
| C11 | C12 | C13 | 119.6° | 120.0° |
| C11 | C12 | H3 | 120.2° | 120.0° |
| C12 | C11 | H4 | 120.0° | 120.0° |
| C12 | C13 | F1 | 119.7° | 120.0° |
| C13 | C12 | H3 | 120.2° | 120.0° |
| H5 | C9 | H6 | 109.5° | 109.4° |
| H7 | N6 | H8 | 109.5° | 120.0° |
| H15 | C5' | H16 | 109.4° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2P | P | O5' | C5' | 162.9° | 153.4° |
| O2P | P | O5' | O3' | 119.7° | 119.3° |
| O2P | P | O5' | S2 | 122.8° | 121.3° |
| O2P | P | O3' | S2 | 123.1° | 121.3° |
| O2P | P | O3' | C3' | 167.8° | 157.3° |
| O2P | P | S2 | H17 | 180.0° | 61.3° |
| O5' | C5' | C4' | H15 | 119.6° | 119.3° |
| O5' | C5' | C4' | H16 | 119.6° | 119.4° |
| C5' | O5' | P | O3' | 43.2° | 34.0° |
| C5' | O5' | P | S2 | 74.3° | 85.3° |
| O5' | C5' | C4' | O4' | 178.8° | 176.9° |
| O5' | C5' | C4' | C3' | 61.7° | 67.2° |
| O5' | C5' | C4' | H13 | 56.8° | 52.3° |
| O5' | C5' | H15 | H16 | 121.3° | 121.4° |
| P | O5' | C5' | C4' | 52.1° | 49.7° |
| O5' | P | O3' | S2 | 115.8° | 119.3° |
| O5' | P | O3' | C3' | 46.6° | 38.0° |
| P | O5' | C5' | H15 | 171.6° | 69.6° |
| P | O5' | C5' | H16 | 67.5° | 169.1° |
| O5' | P | S2 | H17 | 56.2° | 60.0° |
| C5' | C4' | O4' | C3' | 120.5° | 119.3° |
| C5' | C4' | O4' | H13 | 123.7° | 124.2° |
| C5' | C4' | C3' | H13 | 118.5° | 119.1° |
| C5' | C4' | C3' | O3' | 69.7° | 72.7° |
| C5' | C4' | O4' | C1' | 149.8° | 163.0° |
| C5' | C4' | C3' | C2' | 164.8° | 167.5° |
| C5' | C4' | C3' | H14 | 49.7° | 49.3° |
| C4' | C5' | H15 | H16 | 121.3° | 121.3° |
| P | O3' | C3' | C4' | 62.6° | 57.4° |
| P | O3' | C3' | C2' | 178.8° | 167.9° |
| P | O3' | C3' | H14 | 56.0° | 64.3° |
| O3' | P | S2 | H17 | 57.2° | 177.4° |
| S2 | P | O3' | C3' | 69.1° | 81.3° |
| O4' | C4' | C3' | H13 | 116.7° | 116.4° |
| O4' | C4' | C3' | O3' | 165.5° | 162.9° |
| O4' | C4' | C3' | C2' | 40.0° | 43.1° |
| C4' | O4' | C1' | C2' | 7.3° | 26.7° |
| C4' | O4' | C1' | N9 | 128.2° | 146.1° |
| C4' | O4' | C1' | H10 | 111.6° | 92.7° |
| O4' | C4' | C3' | H14 | 75.2° | 75.2° |
| O4' | C4' | C5' | H15 | 61.6° | 63.8° |
| O4' | C4' | C5' | H16 | 59.2° | 57.4° |
| C4' | C3' | O3' | C2' | 116.2° | 110.5° |
| C4' | C3' | O3' | H14 | 118.6° | 121.7° |
| C3' | C4' | O4' | C1' | 29.3° | 43.6° |
| C4' | C3' | C2' | H14 | 115.1° | 118.4° |
| C4' | C3' | C2' | O2' | 82.4° | 92.7° |
| C4' | C3' | C2' | C1' | 34.3° | 25.8° |
| C4' | C3' | C2' | H11 | 152.2° | 144.2° |
| C3' | C4' | C5' | H15 | 178.7° | 52.1° |
| C3' | C4' | C5' | H16 | 57.9° | 173.4° |
| O3' | C3' | C2' | H14 | 125.9° | 128.0° |
| O3' | C3' | C2' | O2' | 36.7° | 20.9° |
| O3' | C3' | C2' | C1' | 153.4° | 139.4° |
| O3' | C3' | C2' | H11 | 88.7° | 102.2° |
| O3' | C3' | C4' | H13 | 48.8° | 46.4° |
| O4' | C1' | C2' | C3' | 17.6° | 1.2° |
| O4' | C1' | C2' | O2' | 99.6° | 117.4° |
| O4' | C1' | C2' | N9 | 119.4° | 119.4° |
| O4' | C1' | C2' | H10 | 119.7° | 119.6° |
| O4' | C1' | N9 | H10 | 120.6° | 121.2° |
| O4' | C1' | N9 | C4 | 41.3° | 137.3° |
| O4' | C1' | N9 | C8 | 137.8° | 42.6° |
| O4' | C1' | C2' | H11 | 135.6° | 119.7° |
| C1' | O4' | C4' | H13 | 86.5° | 72.8° |
| C3' | C2' | O2' | C1' | 111.4° | 113.9° |
| C3' | C2' | O2' | H11 | 124.7° | 123.1° |
| C3' | C2' | C1' | H11 | 118.0° | 118.4° |
| C3' | C2' | C1' | N9 | 101.9° | 118.1° |
| C3' | C2' | C1' | H10 | 137.2° | 120.8° |
| C3' | C2' | O2' | H12 | 180.0° | 175.3° |
| C2' | C3' | C4' | H13 | 76.7° | 73.4° |
| O2' | C2' | C1' | H11 | 124.8° | 122.9° |
| O2' | C2' | C1' | N9 | 140.9° | 123.2° |
| O2' | C2' | C1' | H10 | 20.0° | 2.2° |
| O2' | C2' | C3' | H14 | 162.5° | 148.9° |
| C2' | C1' | N9 | H10 | 120.6° | 121.1° |
| C2' | C1' | N9 | C4 | 77.4° | 105.0° |
| C2' | C1' | N9 | C8 | 103.5° | 75.1° |
| C1' | C2' | O2' | H12 | 68.6° | 61.4° |
| C1' | C2' | C3' | H14 | 80.8° | 92.6° |
| C1' | N9 | C4 | N3 | 0.6° | 0.0° |
| C1' | N9 | C4 | C8 | 179.2° | 179.9° |
| C1' | N9 | C4 | C5 | 179.4° | 179.7° |
| C1' | N9 | C8 | S1 | 0.9° | 0.0° |
| C1' | N9 | C8 | N7 | 179.5° | 179.7° |
| N9 | C1' | C2' | H11 | 16.2° | 0.3° |
| N3 | C4 | N9 | C5 | 180.0° | 179.7° |
| N3 | C4 | N9 | C8 | 179.9° | 179.9° |
| C4 | N3 | C2 | N1 | 0.1° | 0.0° |
| N3 | C4 | C5 | N7 | 180.0° | 180.0° |
| N3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C4 | N3 | C2 | H9 | 179.9° | 180.0° |
| C2 | N3 | C4 | N9 | 179.8° | 179.7° |
| C2 | N3 | C4 | C5 | 0.1° | 0.0° |
| N3 | C2 | N1 | H9 | 180.0° | 179.9° |
| N3 | C2 | N1 | C6 | 0.0° | 0.0° |
| C4 | N9 | C8 | S1 | 179.9° | 179.9° |
| C4 | N9 | C8 | N7 | 0.3° | 0.4° |
| N9 | C4 | C5 | N7 | 0.0° | 0.2° |
| N9 | C4 | C5 | C6 | 180.0° | 179.8° |
| C4 | N9 | C1' | H10 | 161.9° | 16.1° |
| C8 | N9 | C4 | C5 | 0.2° | 0.4° |
| N9 | C8 | S1 | N7 | 179.6° | 179.6° |
| N9 | C8 | S1 | C9 | 152.4° | 179.7° |
| N9 | C8 | N7 | C5 | 0.2° | 0.2° |
| C8 | N9 | C1' | H10 | 17.1° | 163.8° |
| C4 | C5 | N7 | C8 | 0.1° | 0.0° |
| C4 | C5 | C6 | N1 | 0.1° | 0.0° |
| C4 | C5 | N7 | C6 | 180.0° | 180.0° |
| C4 | C5 | C6 | N6 | 180.0° | 180.0° |
| C2 | N1 | C6 | C5 | 0.1° | 0.0° |
| C2 | N1 | C6 | N6 | 180.0° | 180.0° |
| S1 | C8 | N7 | C5 | 179.9° | 179.9° |
| C8 | S1 | C9 | C10 | 175.9° | 180.0° |
| C8 | S1 | C9 | H5 | 55.5° | 60.0° |
| C8 | S1 | C9 | H6 | 63.6° | 60.0° |
| C9 | S1 | C8 | N7 | 27.2° | 0.0° |
| S1 | C9 | C10 | H5 | 120.4° | 120.0° |
| S1 | C9 | C10 | H6 | 120.4° | 120.0° |
| S1 | C9 | C10 | C15 | 90.2° | 90.0° |
| S1 | C9 | C10 | C11 | 90.5° | 90.2° |
| S1 | C9 | H5 | H6 | 118.7° | 119.9° |
| C8 | N7 | C5 | C6 | 179.9° | 180.0° |
| N1 | C6 | C5 | N7 | 179.9° | 180.0° |
| N1 | C6 | C5 | N6 | 179.9° | 180.0° |
| N1 | C6 | N6 | H7 | 0.0° | 180.0° |
| N1 | C6 | N6 | H8 | 120.0° | 0.0° |
| C6 | N1 | C2 | H9 | 180.0° | 180.0° |
| N7 | C5 | C6 | N6 | 0.0° | 0.0° |
| C5 | C6 | N6 | H7 | 179.9° | 0.0° |
| C5 | C6 | N6 | H8 | 59.9° | 180.0° |
| C6 | N6 | H7 | H8 | 120.0° | 180.0° |
| C9 | C10 | C15 | C11 | 179.3° | 179.7° |
| C9 | C10 | C15 | C14 | 179.8° | 180.0° |
| C9 | C10 | C11 | C12 | 179.9° | 179.8° |
| C9 | C10 | C15 | H2 | 0.1° | 0.1° |
| C9 | C10 | C11 | H4 | 0.1° | 0.2° |
| C10 | C9 | H5 | H6 | 118.7° | 120.0° |
| C10 | C15 | C14 | H2 | 180.0° | 179.9° |
| C10 | C15 | C14 | C13 | 0.2° | 0.1° |
| C15 | C10 | C11 | C12 | 0.5° | 0.4° |
| C10 | C15 | C14 | H1 | 179.8° | 180.0° |
| C15 | C10 | C11 | H4 | 179.4° | 180.0° |
| C15 | C10 | C9 | H5 | 149.4° | 150.0° |
| C15 | C10 | C9 | H6 | 30.2° | 30.0° |
| C14 | C15 | C10 | C11 | 0.5° | 0.3° |
| C15 | C14 | C13 | H1 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 0.0° | 0.0° |
| C15 | C14 | C13 | F1 | 180.0° | 179.7° |
| C10 | C11 | C12 | H4 | 180.0° | 179.6° |
| C10 | C11 | C12 | C13 | 0.3° | 0.4° |
| C11 | C10 | C15 | H2 | 179.5° | 179.8° |
| C10 | C11 | C12 | H3 | 179.7° | 179.5° |
| C11 | C10 | C9 | H5 | 30.0° | 29.8° |
| C11 | C10 | C9 | H6 | 149.1° | 149.8° |
| C14 | C13 | C12 | C11 | 0.0° | 0.2° |
| C14 | C13 | C12 | F1 | 180.0° | 179.7° |
| C13 | C14 | C15 | H2 | 179.8° | 180.0° |
| C14 | C13 | C12 | H3 | 180.0° | 179.7° |
| C11 | C12 | C13 | H3 | 180.0° | 179.9° |
| C11 | C12 | C13 | F1 | 179.9° | 179.9° |
| C12 | C13 | C14 | H1 | 180.0° | 179.9° |
| C13 | C12 | C11 | H4 | 179.7° | 180.0° |
| F1 | C13 | C14 | H1 | 0.0° | 0.4° |
| F1 | C13 | C12 | H3 | 0.1° | 0.1° |
| H1 | C14 | C15 | H2 | 0.2° | 0.1° |
| H3 | C12 | C11 | H4 | 0.3° | 0.1° |
| H10 | C1' | C2' | H11 | 104.7° | 120.8° |
| H11 | C2' | O2' | H12 | 55.3° | 61.6° |
| H11 | C2' | C3' | H14 | 37.1° | 25.8° |
| H13 | C4' | C3' | H14 | 168.2° | 168.4° |
| H13 | C4' | C5' | H15 | 62.7° | 171.6° |
| H13 | C4' | C5' | H16 | 176.4° | 67.1° |
