43X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | doub | 1.22Å | 1.27Å | |
| C2 | N3 | sing | 1.33Å | 1.36Å | |
| C2 | N1 | sing | 1.35Å | 1.41Å | |
| N3 | C4 | doub | 1.33Å | 1.35Å | |
| C1' | N1 | sing | 1.46Å | 1.46Å | |
| C1' | O4' | sing | 1.43Å | 1.44Å | |
| C1' | C2' | sing | 1.56Å | 1.54Å | |
| N1 | C6 | sing | 1.36Å | 1.34Å | |
| O4' | C4' | sing | 1.44Å | 1.42Å | |
| C2' | S3' | sing | 1.84Å | 1.76Å | |
| C4 | N4 | sing | 1.38Å | 1.35Å | |
| C4 | C5 | sing | 1.41Å | 1.40Å | |
| C6 | C5 | doub | 1.36Å | 1.37Å | |
| C5 | F5 | sing | 1.35Å | 1.35Å | |
| C4' | S3' | sing | 1.83Å | 1.79Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| O5' | PA | sing | 1.61Å | 1.62Å | |
| PA | O3A | sing | 1.61Å | 1.53Å | |
| PA | O2A | doub | 1.48Å | 1.55Å | |
| N4 | H1 | sing | 0.97Å | 1.00Å | |
| N4 | H2 | sing | 0.97Å | 1.00Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C1' | H4 | sing | 1.09Å | 1.10Å | |
| C2' | H5 | sing | 1.09Å | 1.10Å | |
| C2' | H6 | sing | 1.09Å | 1.10Å | |
| C4' | H7 | sing | 1.09Å | 1.10Å | |
| C5' | H8 | sing | 1.09Å | 1.10Å | |
| C5' | H9 | sing | 1.09Å | 1.10Å | |
| O3A | H10 | sing | 0.97Å | 0.95Å | |
| PA | OP3 | sing | 1.61Å | 83.24Å | |
| OP3 | H11 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | N3 | 121.9° | 119.5° |
| O2 | C2 | N1 | 119.5° | 119.4° |
| N3 | C2 | N1 | 118.6° | 121.1° |
| C2 | N3 | C4 | 119.7° | 120.8° |
| C2 | N1 | C1' | 117.8° | 119.8° |
| C2 | N1 | C6 | 121.8° | 120.3° |
| N3 | C4 | N4 | 117.9° | 120.2° |
| N3 | C4 | C5 | 121.8° | 119.6° |
| N1 | C1' | O4' | 110.1° | 109.8° |
| N1 | C1' | C2' | 106.2° | 109.8° |
| C1' | N1 | C6 | 120.4° | 119.9° |
| N1 | C1' | H4 | 110.2° | 109.8° |
| O4' | C1' | C2' | 110.5° | 107.6° |
| C1' | O4' | C4' | 109.1° | 112.3° |
| O4' | C1' | H4 | 110.6° | 109.8° |
| C1' | C2' | S3' | 106.1° | 100.1° |
| C2' | C1' | H4 | 109.1° | 109.9° |
| C1' | C2' | H5 | 110.3° | 111.3° |
| C1' | C2' | H6 | 110.3° | 111.3° |
| N1 | C6 | C5 | 119.6° | 119.2° |
| N1 | C6 | H3 | 120.2° | 120.4° |
| O4' | C4' | S3' | 109.8° | 104.4° |
| O4' | C4' | C5' | 109.5° | 110.5° |
| O4' | C4' | H7 | 109.5° | 110.4° |
| C2' | S3' | C4' | 87.1° | 95.6° |
| S3' | C2' | H5 | 110.3° | 111.3° |
| S3' | C2' | H6 | 110.3° | 111.3° |
| N4 | C4 | C5 | 120.3° | 120.2° |
| C4 | N4 | H1 | 120.0° | 120.0° |
| C4 | N4 | H2 | 120.0° | 120.0° |
| C4 | C5 | C6 | 118.5° | 118.9° |
| C4 | C5 | F5 | 122.8° | 120.5° |
| C6 | C5 | F5 | 118.7° | 120.5° |
| C5 | C6 | H3 | 120.2° | 120.4° |
| S3' | C4' | C5' | 114.3° | 110.4° |
| S3' | C4' | H7 | 105.4° | 110.5° |
| C4' | C5' | O5' | 113.1° | 109.5° |
| C5' | C4' | H7 | 108.1° | 110.5° |
| C4' | C5' | H8 | 108.6° | 109.5° |
| C4' | C5' | H9 | 108.6° | 109.5° |
| C5' | O5' | PA | 119.1° | 123.0° |
| O5' | C5' | H8 | 108.5° | 109.5° |
| O5' | C5' | H9 | 108.5° | 109.5° |
| O5' | PA | O3A | 102.2° | 109.4° |
| O5' | PA | O2A | 108.8° | 109.5° |
| O5' | PA | OP3 | 34.5° | 109.4° |
| O3A | PA | O2A | 118.7° | 109.5° |
| PA | O3A | H10 | 109.5° | 114.0° |
| O3A | PA | OP3 | 121.4° | 109.5° |
| O2A | PA | OP3 | 74.3° | 109.5° |
| H1 | N4 | H2 | 120.0° | 119.9° |
| H5 | C2' | H6 | 109.5° | 111.2° |
| H8 | C5' | H9 | 109.5° | 109.4° |
| PA | OP3 | H11 | 90.0° | 114.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | N3 | N1 | 179.1° | 179.7° |
| O2 | C2 | N3 | C4 | 179.4° | 180.0° |
| O2 | C2 | N1 | C1' | 1.7° | 0.0° |
| O2 | C2 | N1 | C6 | 179.7° | 179.7° |
| N3 | C2 | N1 | C1' | 179.2° | 179.7° |
| N3 | C2 | N1 | C6 | 1.2° | 0.6° |
| C2 | N3 | C4 | N4 | 179.0° | 179.9° |
| C2 | N3 | C4 | C5 | 0.4° | 0.0° |
| N1 | C2 | N3 | C4 | 0.3° | 0.3° |
| C2 | N1 | C1' | C6 | 178.0° | 179.7° |
| C2 | N1 | C1' | O4' | 169.2° | 178.6° |
| C2 | N1 | C1' | C2' | 71.1° | 60.4° |
| C2 | N1 | C6 | C5 | 1.3° | 0.6° |
| C2 | N1 | C6 | H3 | 178.7° | 179.7° |
| C2 | N1 | C1' | H4 | 46.9° | 60.5° |
| N3 | C4 | N4 | C5 | 178.6° | 179.9° |
| N3 | C4 | C5 | C6 | 0.4° | 0.1° |
| N3 | C4 | C5 | F5 | 179.2° | 180.0° |
| N3 | C4 | N4 | H1 | 0.0° | 0.1° |
| N3 | C4 | N4 | H2 | 180.0° | 180.0° |
| N1 | C1' | O4' | C2' | 117.0° | 119.5° |
| N1 | C1' | O4' | H4 | 122.1° | 120.9° |
| N1 | C1' | C2' | H4 | 118.8° | 121.0° |
| N1 | C1' | O4' | C4' | 121.2° | 168.8° |
| N1 | C1' | C2' | S3' | 95.3° | 160.3° |
| C1' | N1 | C6 | C5 | 179.2° | 179.7° |
| C1' | N1 | C6 | H3 | 0.8° | 0.1° |
| N1 | C1' | C2' | H5 | 24.1° | 42.6° |
| N1 | C1' | C2' | H6 | 145.2° | 82.0° |
| O4' | C1' | C2' | H4 | 121.8° | 119.5° |
| O4' | C1' | N1 | C6 | 12.7° | 1.7° |
| O4' | C1' | C2' | S3' | 24.1° | 40.8° |
| C1' | O4' | C4' | S3' | 31.0° | 30.5° |
| C1' | O4' | C4' | C5' | 157.3° | 149.2° |
| O4' | C1' | C2' | H5 | 143.6° | 76.9° |
| O4' | C1' | C2' | H6 | 95.4° | 158.5° |
| C1' | O4' | C4' | H7 | 84.2° | 88.3° |
| C2' | C1' | N1 | C6 | 106.9° | 119.9° |
| C2' | C1' | O4' | C4' | 4.2° | 49.3° |
| C1' | C2' | S3' | H5 | 119.5° | 117.7° |
| C1' | C2' | S3' | H6 | 119.5° | 117.7° |
| C1' | C2' | S3' | C4' | 34.4° | 20.6° |
| C1' | C2' | H5 | H6 | 121.6° | 124.6° |
| N1 | C6 | C5 | C4 | 0.5° | 0.3° |
| N1 | C6 | C5 | H3 | 180.0° | 179.8° |
| N1 | C6 | C5 | F5 | 179.9° | 179.7° |
| C6 | N1 | C1' | H4 | 135.0° | 119.2° |
| O4' | C4' | S3' | C2' | 39.3° | 3.5° |
| O4' | C4' | S3' | C5' | 123.5° | 118.7° |
| O4' | C4' | S3' | H7 | 117.8° | 118.7° |
| O4' | C4' | C5' | H7 | 119.3° | 122.5° |
| O4' | C4' | C5' | O5' | 53.9° | 60.0° |
| C4' | O4' | C1' | H4 | 116.7° | 70.3° |
| O4' | C4' | C5' | H8 | 174.4° | 180.0° |
| O4' | C4' | C5' | H9 | 66.7° | 60.0° |
| C2' | S3' | C4' | C5' | 162.8° | 122.2° |
| S3' | C2' | C1' | H4 | 145.9° | 78.7° |
| S3' | C2' | H5 | H6 | 121.5° | 124.6° |
| C2' | S3' | C4' | H7 | 78.5° | 115.2° |
| N4 | C4 | C5 | C6 | 178.9° | 180.0° |
| N4 | C4 | C5 | F5 | 0.7° | 0.1° |
| C4 | N4 | H1 | H2 | 180.0° | 179.9° |
| C4 | C5 | C6 | F5 | 179.7° | 180.0° |
| C5 | C4 | N4 | H1 | 178.6° | 180.0° |
| C5 | C4 | N4 | H2 | 1.4° | 0.1° |
| C4 | C5 | C6 | H3 | 179.5° | 179.9° |
| F5 | C5 | C6 | H3 | 0.1° | 0.0° |
| S3' | C4' | C5' | H7 | 117.1° | 122.5° |
| S3' | C4' | C5' | O5' | 69.8° | 55.0° |
| C4' | S3' | C2' | H5 | 153.8° | 97.2° |
| C4' | S3' | C2' | H6 | 85.1° | 138.3° |
| S3' | C4' | C5' | H8 | 50.7° | 65.0° |
| S3' | C4' | C5' | H9 | 169.7° | 175.0° |
| C4' | C5' | O5' | H8 | 120.5° | 120.0° |
| C4' | C5' | O5' | H9 | 120.5° | 120.0° |
| C4' | C5' | O5' | PA | 123.3° | 180.0° |
| C4' | C5' | H8 | H9 | 118.4° | 120.0° |
| C5' | O5' | PA | O3A | 163.8° | 175.0° |
| C5' | O5' | PA | O2A | 37.4° | 55.0° |
| O5' | C5' | C4' | H7 | 173.2° | 177.5° |
| O5' | C5' | H8 | H9 | 118.3° | 120.0° |
| C5' | O5' | PA | OP3 | 35.1° | 65.0° |
| O5' | PA | O3A | O2A | 119.7° | 120.0° |
| O5' | PA | O3A | OP3 | 31.2° | 119.9° |
| O5' | PA | O2A | OP3 | 1.4° | 120.0° |
| PA | O5' | C5' | H8 | 2.7° | 60.0° |
| PA | O5' | C5' | H9 | 116.2° | 60.0° |
| O5' | PA | O3A | H10 | 119.7° | 179.9° |
| O5' | PA | OP3 | H11 | 90.0° | 60.0° |
| O3A | PA | O2A | OP3 | 117.6° | 120.0° |
| O3A | PA | OP3 | H11 | 90.0° | 59.9° |
| O2A | PA | O3A | H10 | 0.0° | 60.0° |
| O2A | PA | OP3 | H11 | 90.0° | 180.0° |
| H4 | C1' | C2' | H5 | 94.7° | 163.6° |
| H4 | C1' | C2' | H6 | 26.4° | 39.0° |
| H7 | C4' | C5' | H8 | 66.3° | 57.5° |
| H7 | C4' | C5' | H9 | 52.6° | 62.5° |
| H10 | O3A | PA | OP3 | 88.5° | 60.0° |
