A5X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | P1 | doub | 1.48Å | 1.51Å | |
| O12 | P1 | sing | 1.61Å | 1.55Å | |
| C2A | C2' | sing | 1.51Å | 1.53Å | |
| P1 | O11 | sing | 1.61Å | 1.55Å | |
| P1 | O5G | sing | 1.61Å | 1.55Å | |
| O11 | P2 | sing | 1.61Å | 1.58Å | |
| O5G | C5B | sing | 1.43Å | 1.38Å | |
| C2' | N1' | doub | 1.32Å | 1.35Å | Aromatic |
| C2' | N3' | sing | 1.32Å | 1.34Å | Aromatic |
| N1' | C6' | sing | 1.33Å | 1.36Å | Aromatic |
| C5B | C5A | sing | 1.53Å | 1.57Å | |
| O23 | P2 | doub | 1.48Å | 1.51Å | |
| N3' | C4' | doub | 1.33Å | 1.34Å | Aromatic |
| O21 | P2 | sing | 1.61Å | 1.52Å | |
| P2 | O22 | sing | 1.61Å | 1.53Å | |
| C6' | C5' | doub | 1.38Å | 1.39Å | Aromatic |
| C5A | C5 | sing | 1.51Å | 1.51Å | |
| C4A | C4 | sing | 1.51Å | 1.52Å | |
| C4' | C5' | sing | 1.40Å | 1.44Å | Aromatic |
| C4' | N4' | sing | 1.39Å | 1.44Å | |
| C5' | C35 | sing | 1.51Å | 1.53Å | |
| C5 | C4 | doub | 1.34Å | 1.44Å | Aromatic |
| C5 | S1 | sing | 1.76Å | 1.70Å | Aromatic |
| C4 | N3 | sing | 1.32Å | 1.42Å | Aromatic |
| N3 | C35 | sing | 1.47Å | 1.48Å | |
| N3 | C2 | doub | 1.29Å | 1.41Å | Aromatic |
| S1 | C2 | sing | 1.71Å | 1.71Å | Aromatic |
| C2 | C2B | sing | 1.51Å | 1.43Å | |
| C22 | C2B | sing | 1.53Å | 1.51Å | |
| O24 | C2B | sing | 1.43Å | 1.40Å | |
| C2B | P3 | sing | 1.82Å | 1.85Å | |
| P3 | O31 | sing | 1.61Å | 1.59Å | |
| P3 | O32 | doub | 1.48Å | 1.59Å | |
| O22 | H1 | sing | 0.97Å | 0.95Å | |
| O21 | H2 | sing | 0.97Å | 0.95Å | |
| O12 | H3 | sing | 0.97Å | 0.95Å | |
| C5B | H4 | sing | 1.09Å | 1.10Å | |
| C5B | H5 | sing | 1.09Å | 1.10Å | |
| C5A | H6 | sing | 1.09Å | 1.10Å | |
| C5A | H7 | sing | 1.09Å | 1.10Å | |
| C4A | H8 | sing | 1.09Å | 1.10Å | |
| C4A | H9 | sing | 1.09Å | 1.10Å | |
| C4A | H10 | sing | 1.09Å | 1.10Å | |
| O31 | H12 | sing | 0.97Å | 0.95Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| O24 | H16 | sing | 0.97Å | 0.95Å | |
| C35 | H17 | sing | 1.09Å | 1.10Å | |
| C35 | H18 | sing | 1.09Å | 1.10Å | |
| C6' | H19 | sing | 1.08Å | 1.08Å | |
| C2A | H20 | sing | 1.09Å | 1.10Å | |
| C2A | H21 | sing | 1.09Å | 1.10Å | |
| C2A | H22 | sing | 1.09Å | 1.10Å | |
| N4' | H23 | sing | 0.97Å | 1.00Å | |
| N4' | H24 | sing | 0.97Å | 1.00Å | |
| P3 | H25 | sing | 1.42Å | 1.42Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | P1 | O12 | 108.2° | 109.4° |
| O13 | P1 | O11 | 107.9° | 109.5° |
| O13 | P1 | O5G | 107.4° | 109.5° |
| O12 | P1 | O11 | 112.9° | 109.5° |
| O12 | P1 | O5G | 110.4° | 109.5° |
| P1 | O12 | H3 | 109.5° | 113.9° |
| C2A | C2' | N1' | 119.9° | 119.1° |
| C2A | C2' | N3' | 119.4° | 119.0° |
| C2' | C2A | H20 | 109.5° | 109.5° |
| C2' | C2A | H21 | 109.5° | 109.5° |
| C2' | C2A | H22 | 109.5° | 109.4° |
| O11 | P1 | O5G | 109.9° | 109.5° |
| P1 | O11 | P2 | 126.6° | 134.0° |
| P1 | O5G | C5B | 122.4° | 123.0° |
| O11 | P2 | O23 | 112.4° | 109.5° |
| O11 | P2 | O21 | 108.5° | 109.5° |
| O11 | P2 | O22 | 108.9° | 109.4° |
| O5G | C5B | C5A | 117.3° | 109.5° |
| O5G | C5B | H4 | 107.5° | 109.5° |
| O5G | C5B | H5 | 107.5° | 109.5° |
| N1' | C2' | N3' | 120.7° | 121.8° |
| C2' | N1' | C6' | 121.4° | 121.0° |
| C2' | N3' | C4' | 121.1° | 120.6° |
| N1' | C6' | C5' | 119.6° | 119.2° |
| N1' | C6' | H19 | 120.2° | 120.4° |
| C5B | C5A | C5 | 121.1° | 109.5° |
| C5A | C5B | H4 | 107.5° | 109.4° |
| C5A | C5B | H5 | 107.5° | 109.4° |
| C5B | C5A | H6 | 106.5° | 109.4° |
| C5B | C5A | H7 | 106.5° | 109.4° |
| O23 | P2 | O21 | 109.1° | 109.5° |
| O23 | P2 | O22 | 109.1° | 109.4° |
| N3' | C4' | C5' | 119.8° | 119.0° |
| N3' | C4' | N4' | 118.1° | 120.5° |
| O21 | P2 | O22 | 108.8° | 109.5° |
| P2 | O21 | H2 | 109.5° | 114.0° |
| P2 | O22 | H1 | 109.5° | 114.0° |
| C6' | C5' | C4' | 117.4° | 118.3° |
| C6' | C5' | C35 | 120.3° | 120.8° |
| C5' | C6' | H19 | 120.2° | 120.4° |
| C5A | C5 | C4 | 127.8° | 126.0° |
| C5A | C5 | S1 | 127.1° | 126.0° |
| C5 | C5A | H6 | 106.5° | 109.5° |
| C5 | C5A | H7 | 106.5° | 109.5° |
| C4A | C4 | C5 | 119.1° | 122.7° |
| C4A | C4 | N3 | 125.5° | 122.8° |
| C4 | C4A | H8 | 109.5° | 109.5° |
| C4 | C4A | H9 | 109.4° | 109.5° |
| C4 | C4A | H10 | 109.5° | 109.5° |
| C5' | C4' | N4' | 122.1° | 120.5° |
| C4' | C5' | C35 | 122.4° | 120.9° |
| C4' | N4' | H23 | 109.5° | 120.0° |
| C4' | N4' | H24 | 109.4° | 120.1° |
| C5' | C35 | N3 | 109.8° | 109.5° |
| C5' | C35 | H17 | 109.4° | 109.4° |
| C5' | C35 | H18 | 109.4° | 109.5° |
| C4 | C5 | S1 | 105.1° | 107.9° |
| C5 | C4 | N3 | 115.4° | 114.5° |
| C5 | S1 | C2 | 99.2° | 90.3° |
| C4 | N3 | C35 | 120.3° | 121.4° |
| C4 | N3 | C2 | 113.7° | 117.2° |
| C35 | N3 | C2 | 126.0° | 121.4° |
| N3 | C35 | H17 | 109.4° | 109.5° |
| N3 | C35 | H18 | 109.4° | 109.5° |
| N3 | C2 | S1 | 106.6° | 110.2° |
| N3 | C2 | C2B | 134.8° | 124.9° |
| S1 | C2 | C2B | 118.6° | 124.9° |
| C2 | C2B | C22 | 118.5° | 109.5° |
| C2 | C2B | O24 | 109.9° | 109.5° |
| C2 | C2B | P3 | 111.9° | 109.5° |
| C22 | C2B | O24 | 98.0° | 109.4° |
| C22 | C2B | P3 | 118.3° | 109.5° |
| C2B | C22 | H13 | 109.5° | 109.5° |
| C2B | C22 | H14 | 109.5° | 109.5° |
| C2B | C22 | H15 | 109.5° | 109.5° |
| O24 | C2B | P3 | 96.3° | 109.5° |
| C2B | O24 | H16 | 109.5° | 114.0° |
| C2B | P3 | O31 | 112.0° | 109.5° |
| C2B | P3 | O32 | 111.5° | 109.5° |
| C2B | P3 | H25 | 106.3° | 109.5° |
| O31 | P3 | O32 | 108.7° | 109.5° |
| P3 | O31 | H12 | 109.5° | 113.9° |
| O31 | P3 | H25 | 109.2° | 109.5° |
| O32 | P3 | H25 | 109.1° | 109.5° |
| H4 | C5B | H5 | 109.5° | 109.5° |
| H6 | C5A | H7 | 109.4° | 109.5° |
| H8 | C4A | H9 | 109.5° | 109.5° |
| H8 | C4A | H10 | 109.5° | 109.4° |
| H9 | C4A | H10 | 109.5° | 109.5° |
| H13 | C22 | H14 | 109.5° | 109.4° |
| H13 | C22 | H15 | 109.5° | 109.5° |
| H14 | C22 | H15 | 109.5° | 109.5° |
| H17 | C35 | H18 | 109.5° | 109.5° |
| H20 | C2A | H21 | 109.4° | 109.5° |
| H20 | C2A | H22 | 109.4° | 109.4° |
| H21 | C2A | H22 | 109.5° | 109.5° |
| H23 | N4' | H24 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | P1 | O12 | O11 | 119.4° | 120.0° |
| O13 | P1 | O12 | O5G | 117.2° | 120.0° |
| O13 | P1 | O11 | O5G | 116.8° | 120.0° |
| O13 | P1 | O11 | P2 | 171.2° | 40.0° |
| O13 | P1 | O5G | C5B | 40.5° | 55.0° |
| O13 | P1 | O12 | H3 | 0.0° | 180.0° |
| O12 | P1 | O11 | O5G | 123.6° | 120.0° |
| O12 | P1 | O11 | P2 | 51.6° | 80.0° |
| O12 | P1 | O5G | C5B | 158.3° | 64.9° |
| C2A | C2' | N1' | N3' | 180.0° | 179.9° |
| C2A | C2' | N1' | C6' | 179.7° | 180.0° |
| C2A | C2' | N3' | C4' | 179.9° | 179.8° |
| C2' | C2A | H20 | H21 | 120.0° | 120.1° |
| C2' | C2A | H20 | H22 | 120.0° | 119.9° |
| C2' | C2A | H21 | H22 | 120.0° | 120.0° |
| O11 | P1 | O5G | C5B | 76.6° | 175.0° |
| P1 | O11 | P2 | O23 | 23.1° | 45.0° |
| P1 | O11 | P2 | O21 | 143.8° | 75.0° |
| P1 | O11 | P2 | O22 | 98.0° | 165.0° |
| O11 | P1 | O12 | H3 | 119.4° | 60.0° |
| O5G | P1 | O11 | P2 | 72.0° | 160.0° |
| P1 | O5G | C5B | C5A | 172.8° | 180.0° |
| O5G | P1 | O12 | H3 | 117.2° | 60.0° |
| P1 | O5G | C5B | H4 | 51.7° | 60.1° |
| P1 | O5G | C5B | H5 | 66.0° | 60.0° |
| O11 | P2 | O23 | O21 | 120.4° | 120.0° |
| O11 | P2 | O23 | O22 | 120.9° | 120.0° |
| O11 | P2 | O21 | O22 | 118.3° | 120.0° |
| O11 | P2 | O22 | H1 | 123.1° | 180.0° |
| O11 | P2 | O21 | H2 | 122.8° | 60.0° |
| O5G | C5B | C5A | H4 | 121.1° | 120.0° |
| O5G | C5B | C5A | H5 | 121.1° | 120.1° |
| O5G | C5B | C5A | C5 | 157.1° | 180.0° |
| O5G | C5B | H4 | H5 | 116.4° | 120.1° |
| O5G | C5B | C5A | H6 | 81.3° | 60.0° |
| O5G | C5B | C5A | H7 | 35.4° | 60.0° |
| N1' | C2' | N3' | C4' | 0.1° | 0.2° |
| C2' | N1' | C6' | C5' | 0.4° | 0.0° |
| C2' | N1' | C6' | H19 | 179.6° | 180.0° |
| N1' | C2' | C2A | H20 | 0.0° | 89.9° |
| N1' | C2' | C2A | H21 | 120.0° | 150.0° |
| N1' | C2' | C2A | H22 | 120.0° | 30.0° |
| N3' | C2' | N1' | C6' | 0.4° | 0.1° |
| C2' | N3' | C4' | C5' | 0.1° | 0.4° |
| C2' | N3' | C4' | N4' | 179.7° | 180.0° |
| N3' | C2' | C2A | H20 | 179.9° | 90.0° |
| N3' | C2' | C2A | H21 | 60.1° | 30.1° |
| N3' | C2' | C2A | H22 | 59.9° | 150.1° |
| N1' | C6' | C5' | H19 | 180.0° | 180.0° |
| N1' | C6' | C5' | C4' | 0.1° | 0.3° |
| N1' | C6' | C5' | C35 | 179.2° | 180.0° |
| C5B | C5A | C5 | H6 | 121.6° | 120.0° |
| C5B | C5A | C5 | H7 | 121.7° | 120.0° |
| C5B | C5A | C5 | C4 | 120.8° | 90.0° |
| C5B | C5A | C5 | S1 | 59.8° | 90.3° |
| C5A | C5B | H4 | H5 | 116.5° | 119.9° |
| C5B | C5A | H6 | H7 | 114.7° | 120.0° |
| O23 | P2 | O21 | O22 | 119.0° | 120.0° |
| O23 | P2 | O22 | H1 | 0.0° | 60.0° |
| O23 | P2 | O21 | H2 | 0.0° | 180.0° |
| N3' | C4' | C5' | C6' | 0.1° | 0.5° |
| N3' | C4' | C5' | N4' | 179.6° | 179.6° |
| N3' | C4' | C5' | C35 | 179.4° | 179.8° |
| N3' | C4' | N4' | H23 | 0.0° | 23.1° |
| N3' | C4' | N4' | H24 | 120.0° | 156.9° |
| O21 | P2 | O22 | H1 | 118.9° | 60.0° |
| O22 | P2 | O21 | H2 | 119.0° | 60.0° |
| C6' | C5' | C4' | C35 | 179.3° | 179.8° |
| C6' | C5' | C4' | N4' | 179.7° | 180.0° |
| C6' | C5' | C35 | N3 | 111.9° | 56.3° |
| C6' | C5' | C35 | H17 | 128.1° | 176.2° |
| C6' | C5' | C35 | H18 | 8.1° | 63.8° |
| C5A | C5 | C4 | C4A | 0.6° | 0.0° |
| C5A | C5 | C4 | S1 | 179.5° | 179.7° |
| C5A | C5 | C4 | N3 | 179.8° | 180.0° |
| C5A | C5 | S1 | C2 | 179.7° | 180.0° |
| C5 | C5A | C5B | H4 | 35.9° | 60.0° |
| C5 | C5A | C5B | H5 | 81.8° | 60.0° |
| C5 | C5A | H6 | H7 | 114.7° | 120.1° |
| C4A | C4 | C5 | N3 | 179.7° | 180.0° |
| C4A | C4 | C5 | S1 | 179.9° | 179.7° |
| C4A | C4 | N3 | C35 | 0.6° | 0.0° |
| C4A | C4 | N3 | C2 | 179.9° | 179.8° |
| C4 | C4A | H8 | H9 | 120.0° | 120.0° |
| C4 | C4A | H8 | H10 | 120.0° | 120.0° |
| C4 | C4A | H9 | H10 | 120.0° | 120.0° |
| C4' | C5' | C35 | N3 | 67.3° | 123.5° |
| C4' | C5' | C35 | H17 | 52.7° | 3.5° |
| C4' | C5' | C35 | H18 | 172.6° | 116.5° |
| C4' | C5' | C6' | H19 | 179.9° | 179.8° |
| C5' | C4' | N4' | H23 | 179.6° | 156.4° |
| C5' | C4' | N4' | H24 | 59.6° | 23.5° |
| N4' | C4' | C5' | C35 | 1.0° | 0.2° |
| C4' | N4' | H23 | H24 | 120.0° | 180.0° |
| C5' | C35 | N3 | C4 | 76.1° | 91.1° |
| C5' | C35 | N3 | H17 | 120.0° | 119.9° |
| C5' | C35 | N3 | H18 | 120.0° | 120.0° |
| C5' | C35 | N3 | C2 | 103.1° | 88.8° |
| C5' | C35 | H17 | H18 | 119.8° | 120.0° |
| C35 | C5' | C6' | H19 | 0.8° | 0.0° |
| C5 | C4 | N3 | C35 | 179.1° | 180.0° |
| C5 | C4 | N3 | C2 | 0.2° | 0.1° |
| C4 | C5 | S1 | C2 | 0.2° | 0.3° |
| C4 | C5 | C5A | H6 | 0.8° | 29.9° |
| C4 | C5 | C5A | H7 | 117.5° | 150.0° |
| C5 | C4 | C4A | H8 | 90.1° | 90.0° |
| C5 | C4 | C4A | H9 | 149.8° | 150.0° |
| C5 | C4 | C4A | H10 | 29.8° | 30.0° |
| S1 | C5 | C4 | N3 | 0.2° | 0.3° |
| C5 | S1 | C2 | N3 | 0.1° | 0.2° |
| C5 | S1 | C2 | C2B | 178.9° | 179.9° |
| S1 | C5 | C5A | H6 | 178.6° | 149.7° |
| S1 | C5 | C5A | H7 | 61.9° | 29.7° |
| C4 | N3 | C35 | C2 | 179.2° | 179.9° |
| C4 | N3 | C2 | S1 | 0.1° | 0.1° |
| C4 | N3 | C2 | C2B | 178.5° | 179.9° |
| N3 | C4 | C4A | H8 | 90.2° | 90.0° |
| N3 | C4 | C4A | H9 | 29.8° | 30.0° |
| N3 | C4 | C4A | H10 | 149.8° | 150.0° |
| C4 | N3 | C35 | H17 | 163.9° | 149.0° |
| C4 | N3 | C35 | H18 | 43.9° | 29.0° |
| C35 | N3 | C2 | S1 | 179.2° | 179.8° |
| C35 | N3 | C2 | C2B | 2.2° | 0.1° |
| N3 | C35 | H17 | H18 | 119.9° | 120.1° |
| N3 | C2 | S1 | C2B | 178.9° | 179.9° |
| N3 | C2 | C2B | C22 | 134.0° | 72.9° |
| N3 | C2 | C2B | O24 | 22.7° | 47.1° |
| N3 | C2 | C2B | P3 | 83.1° | 167.1° |
| C2 | N3 | C35 | H17 | 16.9° | 31.1° |
| C2 | N3 | C35 | H18 | 136.9° | 151.2° |
| S1 | C2 | C2B | C22 | 47.5° | 107.2° |
| S1 | C2 | C2B | O24 | 158.9° | 132.8° |
| S1 | C2 | C2B | P3 | 95.4° | 12.8° |
| C2 | C2B | C22 | O24 | 117.8° | 120.0° |
| C2 | C2B | C22 | P3 | 140.6° | 120.0° |
| C2 | C2B | O24 | P3 | 116.0° | 120.0° |
| C2 | C2B | P3 | O31 | 65.4° | 180.0° |
| C2 | C2B | P3 | O32 | 56.7° | 60.0° |
| C2 | C2B | C22 | H13 | 180.0° | 54.2° |
| C2 | C2B | C22 | H14 | 60.0° | 174.1° |
| C2 | C2B | C22 | H15 | 60.0° | 65.8° |
| C2 | C2B | O24 | H16 | 180.0° | 65.6° |
| C2 | C2B | P3 | H25 | 175.5° | 60.0° |
| C22 | C2B | O24 | P3 | 119.8° | 120.0° |
| C22 | C2B | P3 | O31 | 151.6° | 60.0° |
| C22 | C2B | P3 | O32 | 86.3° | 180.0° |
| C2B | C22 | H13 | H14 | 120.0° | 120.0° |
| C2B | C22 | H13 | H15 | 120.0° | 120.0° |
| C2B | C22 | H14 | H15 | 120.0° | 120.0° |
| C22 | C2B | O24 | H16 | 55.8° | 174.4° |
| C22 | C2B | P3 | H25 | 32.5° | 60.0° |
| O24 | C2B | P3 | O31 | 49.0° | 59.9° |
| O24 | C2B | P3 | O32 | 171.1° | 60.0° |
| O24 | C2B | C22 | H13 | 62.2° | 65.8° |
| O24 | C2B | C22 | H14 | 177.8° | 54.2° |
| O24 | C2B | C22 | H15 | 57.8° | 174.2° |
| O24 | C2B | P3 | H25 | 70.2° | 180.0° |
| C2B | P3 | O31 | O32 | 123.7° | 120.0° |
| C2B | P3 | O31 | H25 | 117.5° | 120.0° |
| C2B | P3 | O32 | H25 | 117.1° | 120.0° |
| C2B | P3 | O31 | H12 | 123.7° | 180.0° |
| P3 | C2B | C22 | H13 | 39.4° | 174.2° |
| P3 | C2B | C22 | H14 | 80.6° | 65.8° |
| P3 | C2B | C22 | H15 | 159.4° | 54.2° |
| P3 | C2B | O24 | H16 | 64.0° | 54.4° |
| O31 | P3 | O32 | H25 | 118.9° | 120.0° |
| O32 | P3 | O31 | H12 | 0.0° | 60.0° |
| H4 | C5B | C5A | H6 | 157.6° | 180.0° |
| H4 | C5B | C5A | H7 | 85.7° | 60.0° |
| H5 | C5B | C5A | H6 | 39.8° | 60.0° |
| H5 | C5B | C5A | H7 | 156.5° | 180.0° |
| H8 | C4A | H9 | H10 | 120.0° | 120.0° |
| H12 | O31 | P3 | H25 | 118.9° | 60.0° |
| H13 | C22 | H14 | H15 | 120.0° | 120.0° |
| H20 | C2A | H21 | H22 | 119.9° | 120.0° |
