4F0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CS5 | S | sing | 1.81Å | 1.76Å | |
| S | C5' | sing | 1.81Å | 1.78Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C1' | C4' | sing | 1.54Å | 1.51Å | |
| C1' | N1' | sing | 1.48Å | 1.46Å | |
| C4' | C3' | sing | 1.55Å | 1.53Å | |
| N1' | C2' | sing | 1.49Å | 1.47Å | |
| N1' | C10 | sing | 1.47Å | 1.48Å | |
| C2' | C3' | sing | 1.55Å | 1.51Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C8 | N7 | sing | 1.36Å | 1.37Å | Aromatic |
| C8 | C9 | doub | 1.35Å | 1.40Å | Aromatic |
| N7 | C5 | sing | 1.38Å | 1.36Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.50Å | |
| C9 | C4 | sing | 1.46Å | 1.45Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.47Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.46Å | Aromatic |
| N6 | C6 | sing | 1.39Å | 1.36Å | |
| C6 | N1 | sing | 1.33Å | 1.36Å | Aromatic |
| C4 | N3 | doub | 1.34Å | 1.35Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.35Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| CS5 | H2 | sing | 1.09Å | 1.10Å | |
| CS5 | H3 | sing | 1.09Å | 1.10Å | |
| CS5 | H4 | sing | 1.09Å | 1.10Å | |
| C5' | H5 | sing | 1.09Å | 1.10Å | |
| C5' | H6 | sing | 1.09Å | 1.10Å | |
| C4' | H7 | sing | 1.09Å | 1.10Å | |
| C1' | H8 | sing | 1.09Å | 1.10Å | |
| C1' | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.08Å | 1.08Å | |
| N7 | H14 | sing | 0.97Å | 1.00Å | |
| N6 | H15 | sing | 0.97Å | 1.00Å | |
| N6 | H16 | sing | 0.97Å | 1.00Å | |
| C2' | H17 | sing | 1.09Å | 1.10Å | |
| C2' | H18 | sing | 1.09Å | 1.10Å | |
| C3' | H19 | sing | 1.09Å | 1.10Å | |
| O3' | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CS5 | S | C5' | 113.2° | 103.0° |
| S | CS5 | H2 | 109.5° | 109.4° |
| S | CS5 | H3 | 109.5° | 109.4° |
| S | CS5 | H4 | 109.4° | 109.5° |
| S | C5' | C4' | 111.3° | 109.5° |
| S | C5' | H5 | 109.0° | 109.5° |
| S | C5' | H6 | 109.0° | 109.5° |
| C5' | C4' | C1' | 109.1° | 110.3° |
| C5' | C4' | C3' | 114.3° | 110.3° |
| C4' | C5' | H5 | 109.0° | 109.5° |
| C4' | C5' | H6 | 109.0° | 109.5° |
| C5' | C4' | H7 | 109.1° | 110.3° |
| C4' | C1' | N1' | 104.7° | 107.1° |
| C1' | C4' | C3' | 105.8° | 105.1° |
| C1' | C4' | H7 | 109.4° | 110.4° |
| C4' | C1' | H8 | 110.7° | 109.9° |
| C4' | C1' | H9 | 110.7° | 109.9° |
| C1' | N1' | C2' | 105.7° | 105.8° |
| C1' | N1' | C10 | 112.8° | 111.0° |
| N1' | C1' | H8 | 110.6° | 109.9° |
| N1' | C1' | H9 | 110.7° | 109.9° |
| C4' | C3' | C2' | 104.8° | 102.9° |
| C4' | C3' | O3' | 112.4° | 110.7° |
| C3' | C4' | H7 | 109.0° | 110.3° |
| C4' | C3' | H19 | 109.9° | 110.7° |
| C2' | N1' | C10 | 110.5° | 111.0° |
| N1' | C2' | C3' | 103.0° | 103.2° |
| N1' | C2' | H17 | 111.1° | 110.6° |
| N1' | C2' | H18 | 111.1° | 110.7° |
| N1' | C10 | C9 | 109.3° | 109.5° |
| N1' | C10 | H11 | 109.5° | 109.4° |
| N1' | C10 | H12 | 109.5° | 109.5° |
| C2' | C3' | O3' | 108.2° | 110.7° |
| C3' | C2' | H17 | 111.1° | 110.7° |
| C3' | C2' | H18 | 111.1° | 110.6° |
| C2' | C3' | H19 | 110.2° | 110.7° |
| O3' | C3' | H19 | 111.2° | 110.8° |
| C3' | O3' | H20 | 109.5° | 114.0° |
| N7 | C8 | C9 | 111.1° | 109.8° |
| C8 | N7 | C5 | 109.8° | 109.8° |
| N7 | C8 | H13 | 124.5° | 125.1° |
| C8 | N7 | H14 | 125.1° | 125.1° |
| C8 | C9 | C10 | 129.5° | 126.4° |
| C8 | C9 | C4 | 105.1° | 107.0° |
| C9 | C8 | H13 | 124.4° | 125.0° |
| N7 | C5 | C6 | 137.3° | 134.6° |
| N7 | C5 | C4 | 107.1° | 107.3° |
| C5 | N7 | H14 | 125.1° | 125.1° |
| C10 | C9 | C4 | 125.3° | 126.5° |
| C9 | C10 | H11 | 109.5° | 109.5° |
| C9 | C10 | H12 | 109.5° | 109.5° |
| C9 | C4 | C5 | 106.8° | 105.9° |
| C9 | C4 | N3 | 129.7° | 134.8° |
| C6 | C5 | C4 | 115.5° | 118.1° |
| C5 | C6 | N6 | 121.6° | 120.7° |
| C5 | C6 | N1 | 117.1° | 118.6° |
| C5 | C4 | N3 | 123.4° | 119.2° |
| N6 | C6 | N1 | 121.3° | 120.8° |
| C6 | N6 | H15 | 109.5° | 120.0° |
| C6 | N6 | H16 | 109.5° | 120.0° |
| C6 | N1 | C2 | 122.4° | 121.4° |
| C4 | N3 | C2 | 116.5° | 120.4° |
| N1 | C2 | N3 | 124.9° | 122.4° |
| N1 | C2 | H1 | 117.6° | 118.8° |
| N3 | C2 | H1 | 117.5° | 118.8° |
| H2 | CS5 | H3 | 109.5° | 109.5° |
| H2 | CS5 | H4 | 109.5° | 109.5° |
| H3 | CS5 | H4 | 109.5° | 109.5° |
| H5 | C5' | H6 | 109.5° | 109.5° |
| H8 | C1' | H9 | 109.5° | 110.0° |
| H11 | C10 | H12 | 109.5° | 109.5° |
| H15 | N6 | H16 | 109.5° | 120.0° |
| H17 | C2' | H18 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CS5 | S | C5' | C4' | 168.6° | 180.0° |
| S | CS5 | H2 | H3 | 120.0° | 119.9° |
| S | CS5 | H2 | H4 | 120.0° | 120.0° |
| S | CS5 | H3 | H4 | 120.0° | 120.0° |
| CS5 | S | C5' | H5 | 71.2° | 60.0° |
| CS5 | S | C5' | H6 | 48.4° | 60.0° |
| S | C5' | C4' | H5 | 120.2° | 120.0° |
| S | C5' | C4' | H6 | 120.2° | 120.0° |
| S | C5' | C4' | C1' | 65.4° | 69.3° |
| S | C5' | C4' | C3' | 176.4° | 175.0° |
| C5' | S | CS5 | H2 | 180.0° | 60.0° |
| C5' | S | CS5 | H3 | 60.0° | 180.0° |
| C5' | S | CS5 | H4 | 60.0° | 60.0° |
| S | C5' | H5 | H6 | 119.2° | 120.0° |
| S | C5' | C4' | H7 | 54.0° | 52.9° |
| C5' | C4' | C1' | C3' | 123.4° | 118.9° |
| C5' | C4' | C1' | H7 | 119.3° | 122.2° |
| C5' | C4' | C1' | N1' | 140.5° | 117.7° |
| C5' | C4' | C3' | H7 | 122.4° | 122.1° |
| C5' | C4' | C3' | C2' | 112.8° | 140.8° |
| C5' | C4' | C3' | O3' | 129.9° | 100.8° |
| C4' | C5' | H5 | H6 | 119.2° | 120.0° |
| C5' | C4' | C1' | H8 | 21.3° | 1.7° |
| C5' | C4' | C1' | H9 | 100.3° | 123.0° |
| C5' | C4' | C3' | H19 | 5.6° | 22.5° |
| C4' | C1' | N1' | H8 | 119.2° | 119.4° |
| C4' | C1' | N1' | H9 | 119.2° | 119.3° |
| C1' | C4' | C3' | H7 | 117.5° | 119.0° |
| C4' | C1' | N1' | C2' | 36.2° | 25.3° |
| C4' | C1' | N1' | C10 | 84.7° | 145.8° |
| C1' | C4' | C3' | C2' | 7.3° | 21.9° |
| C1' | C4' | C3' | O3' | 110.0° | 140.3° |
| C1' | C4' | C5' | H5 | 174.4° | 170.7° |
| C1' | C4' | C5' | H6 | 54.8° | 50.7° |
| C4' | C1' | H8 | H9 | 122.2° | 121.1° |
| C1' | C4' | C3' | H19 | 125.6° | 96.4° |
| N1' | C1' | C4' | C3' | 17.1° | 1.2° |
| C1' | N1' | C2' | C10 | 122.4° | 120.5° |
| C1' | N1' | C2' | C3' | 40.7° | 39.2° |
| C1' | N1' | C10 | C9 | 57.2° | 170.0° |
| N1' | C1' | C4' | H7 | 100.2° | 120.1° |
| N1' | C1' | H8 | H9 | 122.2° | 121.2° |
| C1' | N1' | C10 | H11 | 62.8° | 50.0° |
| C1' | N1' | C10 | H12 | 177.2° | 70.0° |
| C1' | N1' | C2' | H17 | 78.3° | 157.6° |
| C1' | N1' | C2' | H18 | 159.6° | 79.2° |
| C4' | C3' | C2' | N1' | 28.7° | 37.4° |
| C4' | C3' | C2' | O3' | 120.1° | 118.4° |
| C4' | C3' | C2' | H19 | 118.1° | 118.3° |
| C4' | C3' | O3' | H19 | 123.6° | 123.2° |
| C3' | C4' | C5' | H5 | 56.1° | 55.0° |
| C3' | C4' | C5' | H6 | 63.4° | 65.0° |
| C3' | C4' | C1' | H8 | 102.1° | 120.6° |
| C3' | C4' | C1' | H9 | 136.3° | 118.1° |
| C4' | C3' | C2' | H17 | 90.3° | 155.8° |
| C4' | C3' | C2' | H18 | 147.6° | 81.0° |
| C4' | C3' | O3' | H20 | 180.0° | 179.9° |
| N1' | C2' | C3' | H17 | 119.0° | 118.4° |
| N1' | C2' | C3' | H18 | 119.0° | 118.4° |
| N1' | C2' | C3' | O3' | 91.5° | 155.8° |
| C2' | N1' | C10 | C9 | 175.4° | 72.7° |
| C2' | N1' | C1' | H8 | 83.0° | 144.7° |
| C2' | N1' | C1' | H9 | 155.4° | 94.0° |
| C2' | N1' | C10 | H11 | 55.4° | 167.4° |
| C2' | N1' | C10 | H12 | 64.6° | 47.4° |
| N1' | C2' | H17 | H18 | 123.0° | 123.1° |
| N1' | C2' | C3' | H19 | 146.8° | 80.9° |
| C10 | N1' | C2' | C3' | 81.7° | 159.7° |
| N1' | C10 | C9 | C8 | 64.6° | 100.0° |
| N1' | C10 | C9 | H11 | 120.0° | 120.0° |
| N1' | C10 | C9 | H12 | 120.0° | 120.0° |
| N1' | C10 | C9 | C4 | 113.5° | 79.9° |
| C10 | N1' | C1' | H8 | 156.0° | 94.8° |
| C10 | N1' | C1' | H9 | 34.5° | 26.5° |
| N1' | C10 | H11 | H12 | 120.0° | 120.0° |
| C10 | N1' | C2' | H17 | 159.3° | 81.9° |
| C10 | N1' | C2' | H18 | 37.2° | 41.3° |
| C2' | C3' | O3' | H19 | 121.1° | 123.2° |
| C2' | C3' | C4' | H7 | 124.8° | 97.1° |
| C3' | C2' | H17 | H18 | 123.0° | 123.1° |
| C2' | C3' | O3' | H20 | 64.7° | 66.5° |
| O3' | C3' | C4' | H7 | 7.5° | 21.3° |
| O3' | C3' | C2' | H17 | 149.6° | 85.8° |
| O3' | C3' | C2' | H18 | 27.5° | 37.3° |
| N7 | C8 | C9 | H13 | 180.0° | 179.9° |
| C8 | N7 | C5 | H14 | 180.0° | 180.0° |
| N7 | C8 | C9 | C10 | 178.4° | 179.9° |
| N7 | C8 | C9 | C4 | 0.0° | 0.1° |
| C8 | N7 | C5 | C6 | 178.9° | 179.7° |
| C8 | N7 | C5 | C4 | 0.8° | 0.1° |
| C9 | C8 | N7 | C5 | 0.5° | 0.1° |
| C8 | C9 | C10 | C4 | 178.1° | 180.0° |
| C8 | C9 | C4 | C5 | 0.5° | 0.0° |
| C8 | C9 | C4 | N3 | 178.5° | 180.0° |
| C8 | C9 | C10 | H11 | 175.4° | 140.0° |
| C8 | C9 | C10 | H12 | 55.3° | 20.0° |
| C9 | C8 | N7 | H14 | 179.5° | 179.9° |
| N7 | C5 | C4 | C9 | 0.8° | 0.1° |
| N7 | C5 | C6 | C4 | 178.0° | 179.8° |
| N7 | C5 | C6 | N6 | 1.5° | 0.2° |
| N7 | C5 | C6 | N1 | 179.4° | 180.0° |
| N7 | C5 | C4 | N3 | 178.9° | 180.0° |
| C5 | N7 | C8 | H13 | 179.5° | 180.0° |
| C10 | C9 | C4 | C5 | 178.0° | 180.0° |
| C10 | C9 | C4 | N3 | 0.0° | 0.1° |
| C9 | C10 | H11 | H12 | 120.1° | 120.0° |
| C10 | C9 | C8 | H13 | 1.6° | 0.0° |
| C9 | C4 | C5 | C6 | 179.4° | 179.8° |
| C9 | C4 | C5 | N3 | 178.1° | 180.0° |
| C9 | C4 | N3 | C2 | 178.8° | 180.0° |
| C4 | C9 | C10 | H11 | 6.5° | 40.0° |
| C4 | C9 | C10 | H12 | 126.6° | 160.0° |
| C4 | C9 | C8 | H13 | 180.0° | 180.0° |
| C5 | C6 | N6 | N1 | 177.9° | 179.8° |
| C6 | C5 | C4 | N3 | 2.5° | 0.2° |
| C5 | C6 | N1 | C2 | 1.6° | 0.0° |
| C6 | C5 | N7 | H14 | 1.1° | 0.3° |
| C5 | C6 | N6 | H15 | 177.9° | 0.0° |
| C5 | C6 | N6 | H16 | 62.1° | 180.0° |
| C4 | C5 | C6 | N6 | 179.4° | 180.0° |
| C4 | C5 | C6 | N1 | 2.6° | 0.2° |
| C5 | C4 | N3 | C2 | 1.2° | 0.0° |
| C4 | C5 | N7 | H14 | 179.2° | 179.9° |
| N6 | C6 | N1 | C2 | 179.6° | 179.7° |
| C6 | N6 | H15 | H16 | 120.0° | 179.9° |
| C6 | N1 | C2 | N3 | 0.2° | 0.3° |
| C6 | N1 | C2 | H1 | 179.8° | 180.0° |
| N1 | C6 | N6 | H15 | 0.0° | 179.8° |
| N1 | C6 | N6 | H16 | 120.0° | 0.3° |
| C4 | N3 | C2 | N1 | 0.1° | 0.3° |
| C4 | N3 | C2 | H1 | 179.9° | 180.0° |
| N1 | C2 | N3 | H1 | 180.0° | 179.8° |
| H2 | CS5 | H3 | H4 | 120.0° | 120.1° |
| H5 | C5' | C4' | H7 | 66.2° | 67.1° |
| H6 | C5' | C4' | H7 | 174.3° | 172.9° |
| H7 | C4' | C1' | H8 | 140.6° | 120.5° |
| H7 | C4' | C1' | H9 | 19.0° | 0.8° |
| H7 | C4' | C3' | H19 | 116.8° | 144.6° |
| H13 | C8 | N7 | H14 | 0.5° | 0.0° |
| H17 | C2' | C3' | H19 | 27.8° | 37.5° |
| H18 | C2' | C3' | H19 | 94.2° | 160.7° |
| H19 | C3' | O3' | H20 | 56.4° | 56.7° |
