42E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1A | PA | doub | 1.48Å | 1.51Å | |
| O2A | PA | sing | 1.61Å | 1.52Å | |
| PA | O5' | sing | 1.61Å | 1.63Å | |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| S3' | C4' | sing | 1.84Å | 1.79Å | |
| S3' | C2' | sing | 1.84Å | 1.78Å | |
| C5 | C6 | doub | 1.35Å | 1.46Å | |
| C5 | C4 | sing | 1.41Å | 1.38Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C6 | N1 | sing | 1.36Å | 1.47Å | |
| N4 | C4 | sing | 1.38Å | 1.32Å | |
| C4 | N3 | doub | 1.33Å | 1.35Å | |
| C2' | C1' | sing | 1.55Å | 1.52Å | |
| O4' | C1' | sing | 1.42Å | 1.44Å | |
| N1 | C1' | sing | 1.46Å | 1.46Å | |
| N1 | C2 | sing | 1.35Å | 1.35Å | |
| N3 | C2 | sing | 1.33Å | 1.36Å | |
| C2 | O2 | doub | 1.22Å | 1.35Å | |
| O2A | H2 | sing | 0.97Å | 0.95Å | |
| C5' | H3 | sing | 1.09Å | 1.10Å | |
| C5' | H4 | sing | 1.09Å | 1.10Å | |
| C4' | H5 | sing | 1.09Å | 1.10Å | |
| C2' | H6 | sing | 1.09Å | 1.10Å | |
| C2' | H7 | sing | 1.09Å | 1.10Å | |
| C1' | H8 | sing | 1.09Å | 1.10Å | |
| N4 | H9 | sing | 0.97Å | 1.00Å | |
| N4 | H10 | sing | 0.97Å | 1.00Å | |
| C5 | H11 | sing | 1.08Å | 1.08Å | |
| C6 | H12 | sing | 1.08Å | 1.08Å | |
| PA | OP3 | sing | 1.61Å | 26.90Å | |
| OP3 | H1 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | PA | O2A | 118.8° | 109.5° |
| O1A | PA | O5' | 107.4° | 109.5° |
| O1A | PA | OP3 | 106.7° | 109.5° |
| O2A | PA | O5' | 109.9° | 109.5° |
| PA | O2A | H2 | 109.5° | 114.0° |
| O2A | PA | OP3 | 92.5° | 109.5° |
| PA | O5' | C5' | 118.6° | 123.0° |
| O5' | PA | OP3 | 121.8° | 109.5° |
| O5' | C5' | C4' | 116.2° | 109.5° |
| O5' | C5' | H3 | 107.8° | 109.4° |
| O5' | C5' | H4 | 107.8° | 109.5° |
| C5' | C4' | S3' | 110.1° | 110.8° |
| C5' | C4' | O4' | 111.6° | 110.8° |
| C4' | C5' | H3 | 107.8° | 109.5° |
| C4' | C5' | H4 | 107.8° | 109.5° |
| C5' | C4' | H5 | 108.4° | 110.7° |
| C4' | S3' | C2' | 87.8° | 93.4° |
| S3' | C4' | O4' | 111.3° | 102.6° |
| S3' | C4' | H5 | 105.6° | 111.0° |
| S3' | C2' | C1' | 107.7° | 100.6° |
| S3' | C2' | H6 | 109.9° | 111.2° |
| S3' | C2' | H7 | 109.9° | 111.2° |
| C6 | C5 | C4 | 121.3° | 118.9° |
| C5 | C6 | N1 | 112.1° | 119.3° |
| C6 | C5 | H11 | 119.4° | 120.6° |
| C5 | C6 | H12 | 123.9° | 120.3° |
| C5 | C4 | N4 | 117.5° | 120.2° |
| C5 | C4 | N3 | 123.1° | 119.6° |
| C4 | C5 | H11 | 119.4° | 120.5° |
| C4' | O4' | C1' | 109.2° | 116.7° |
| O4' | C4' | H5 | 109.5° | 110.8° |
| C6 | N1 | C1' | 117.8° | 119.8° |
| C6 | N1 | C2 | 122.4° | 120.3° |
| N1 | C6 | H12 | 124.0° | 120.4° |
| N4 | C4 | N3 | 119.4° | 120.2° |
| C4 | N4 | H9 | 120.0° | 119.9° |
| C4 | N4 | H10 | 120.0° | 120.0° |
| C4 | N3 | C2 | 118.7° | 120.7° |
| C2' | C1' | O4' | 111.3° | 113.4° |
| C2' | C1' | N1 | 105.5° | 108.7° |
| C1' | C2' | H6 | 109.9° | 111.2° |
| C1' | C2' | H7 | 109.9° | 111.2° |
| C2' | C1' | H8 | 109.5° | 108.7° |
| O4' | C1' | N1 | 109.2° | 108.7° |
| O4' | C1' | H8 | 110.7° | 108.7° |
| C1' | N1 | C2 | 119.8° | 119.8° |
| N1 | C1' | H8 | 110.4° | 108.5° |
| N1 | C2 | N3 | 122.4° | 121.1° |
| N1 | C2 | O2 | 119.5° | 119.4° |
| N3 | C2 | O2 | 118.1° | 119.5° |
| H3 | C5' | H4 | 109.4° | 109.4° |
| H6 | C2' | H7 | 109.4° | 111.0° |
| H9 | N4 | H10 | 120.0° | 120.1° |
| PA | OP3 | H1 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | PA | O2A | O5' | 124.1° | 120.0° |
| O1A | PA | O2A | OP3 | 110.7° | 120.0° |
| O1A | PA | O5' | OP3 | 123.2° | 120.0° |
| O1A | PA | O5' | C5' | 36.3° | 55.0° |
| O1A | PA | O2A | H2 | 0.0° | 60.0° |
| O1A | PA | OP3 | H1 | 90.0° | 180.0° |
| O2A | PA | O5' | OP3 | 106.3° | 120.0° |
| O2A | PA | O5' | C5' | 166.8° | 175.0° |
| O2A | PA | OP3 | H1 | 90.0° | 60.0° |
| PA | O5' | C5' | C4' | 126.3° | 180.0° |
| O5' | PA | O2A | H2 | 124.1° | 180.0° |
| PA | O5' | C5' | H3 | 112.7° | 60.0° |
| PA | O5' | C5' | H4 | 5.4° | 59.9° |
| O5' | PA | OP3 | H1 | 90.0° | 60.0° |
| O5' | C5' | C4' | H3 | 121.0° | 120.0° |
| O5' | C5' | C4' | H4 | 121.0° | 120.1° |
| O5' | C5' | C4' | S3' | 79.4° | 53.2° |
| O5' | C5' | C4' | O4' | 44.8° | 60.0° |
| O5' | C5' | H3 | H4 | 117.0° | 120.0° |
| O5' | C5' | C4' | H5 | 165.4° | 176.7° |
| C5' | O5' | PA | OP3 | 87.0° | 65.0° |
| C5' | C4' | S3' | O4' | 124.4° | 118.3° |
| C5' | C4' | S3' | H5 | 116.9° | 123.4° |
| C5' | C4' | S3' | C2' | 157.1° | 151.1° |
| C5' | C4' | O4' | H5 | 120.0° | 123.2° |
| C5' | C4' | O4' | C1' | 147.9° | 143.2° |
| C4' | C5' | H3 | H4 | 116.9° | 120.0° |
| S3' | C4' | O4' | H5 | 116.4° | 118.5° |
| C4' | S3' | C2' | C1' | 30.7° | 31.0° |
| S3' | C4' | O4' | C1' | 24.4° | 25.0° |
| S3' | C4' | C5' | H3 | 159.6° | 173.2° |
| S3' | C4' | C5' | H4 | 41.6° | 66.9° |
| C4' | S3' | C2' | H6 | 89.1° | 86.8° |
| C4' | S3' | C2' | H7 | 150.4° | 148.9° |
| C2' | S3' | C4' | O4' | 32.7° | 32.8° |
| S3' | C2' | C1' | H6 | 119.8° | 117.8° |
| S3' | C2' | C1' | H7 | 119.7° | 117.9° |
| S3' | C2' | C1' | O4' | 23.3° | 22.3° |
| S3' | C2' | C1' | N1 | 95.1° | 98.7° |
| C2' | S3' | C4' | H5 | 86.0° | 85.6° |
| S3' | C2' | H6 | H7 | 120.8° | 124.4° |
| S3' | C2' | C1' | H8 | 146.0° | 143.3° |
| C6 | C5 | C4 | H11 | 180.0° | 179.4° |
| C5 | C6 | N1 | H12 | 180.0° | 179.4° |
| C6 | C5 | C4 | N4 | 178.7° | 179.7° |
| C6 | C5 | C4 | N3 | 0.3° | 0.4° |
| C5 | C6 | N1 | C1' | 179.2° | 179.7° |
| C5 | C6 | N1 | C2 | 1.3° | 0.6° |
| C4 | C5 | C6 | N1 | 1.5° | 0.6° |
| C5 | C4 | N4 | N3 | 178.5° | 180.0° |
| C5 | C4 | N3 | C2 | 2.4° | 0.1° |
| C5 | C4 | N4 | H9 | 178.5° | 180.0° |
| C5 | C4 | N4 | H10 | 1.5° | 0.0° |
| C4 | C5 | C6 | H12 | 178.5° | 180.0° |
| C4' | O4' | C1' | C2' | 0.5° | 1.7° |
| C4' | O4' | C1' | N1 | 116.6° | 122.7° |
| O4' | C4' | C5' | H3 | 76.2° | 60.0° |
| O4' | C4' | C5' | H4 | 165.8° | 180.0° |
| C4' | O4' | C1' | H8 | 121.6° | 119.3° |
| C6 | N1 | C1' | C2' | 107.9° | 125.1° |
| C6 | N1 | C1' | O4' | 11.9° | 1.2° |
| C6 | N1 | C1' | C2 | 179.6° | 179.7° |
| C6 | N1 | C2 | N3 | 0.8° | 0.3° |
| C6 | N1 | C2 | O2 | 179.3° | 179.8° |
| C6 | N1 | C1' | H8 | 133.9° | 116.9° |
| N1 | C6 | C5 | H11 | 178.5° | 180.0° |
| N4 | C4 | N3 | C2 | 179.1° | 180.0° |
| C4 | N4 | H9 | H10 | 180.0° | 179.9° |
| N4 | C4 | C5 | H11 | 1.3° | 0.3° |
| C4 | N3 | C2 | N1 | 2.7° | 0.1° |
| C4 | N3 | C2 | O2 | 178.8° | 180.0° |
| N3 | C4 | N4 | H9 | 0.0° | 0.1° |
| N3 | C4 | N4 | H10 | 180.0° | 180.0° |
| N3 | C4 | C5 | H11 | 179.8° | 179.8° |
| C2' | C1' | O4' | N1 | 116.2° | 121.0° |
| C2' | C1' | O4' | H8 | 122.1° | 121.0° |
| C2' | C1' | N1 | H8 | 118.2° | 118.0° |
| C2' | C1' | N1 | C2 | 71.7° | 54.7° |
| C1' | C2' | H6 | H7 | 120.8° | 124.4° |
| O4' | C1' | N1 | H8 | 122.0° | 118.1° |
| O4' | C1' | N1 | C2 | 168.5° | 178.5° |
| C1' | O4' | C4' | H5 | 92.0° | 93.5° |
| O4' | C1' | C2' | H6 | 96.5° | 95.5° |
| O4' | C1' | C2' | H7 | 143.0° | 140.2° |
| C1' | N1 | C2 | N3 | 178.8° | 180.0° |
| C1' | N1 | C2 | O2 | 0.2° | 0.1° |
| N1 | C1' | C2' | H6 | 145.1° | 143.4° |
| N1 | C1' | C2' | H7 | 24.6° | 19.2° |
| C1' | N1 | C6 | H12 | 0.9° | 0.3° |
| N1 | C2 | N3 | O2 | 178.6° | 179.9° |
| C2 | N1 | C1' | H8 | 46.5° | 63.4° |
| C2 | N1 | C6 | H12 | 178.7° | 180.0° |
| H2 | O2A | PA | OP3 | 110.7° | 60.0° |
| H3 | C5' | C4' | H5 | 44.4° | 63.3° |
| H4 | C5' | C4' | H5 | 73.6° | 56.7° |
| H6 | C2' | C1' | H8 | 26.3° | 25.5° |
| H7 | C2' | C1' | H8 | 94.2° | 98.8° |
| H11 | C5 | C6 | H12 | 1.5° | 0.5° |
