C42
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.35Å | 1.39Å | |
| N1 | C6 | sing | 1.36Å | 1.36Å | |
| N1 | C1' | sing | 1.46Å | 1.47Å | |
| C2 | N3 | sing | 1.33Å | 1.35Å | |
| C2 | O2 | doub | 1.22Å | 1.24Å | |
| N3 | C4 | doub | 1.33Å | 1.31Å | |
| C4 | C5 | sing | 1.41Å | 1.43Å | |
| C4 | N4 | sing | 1.38Å | 1.31Å | |
| C5 | C6 | doub | 1.35Å | 1.33Å | |
| C5 | H5 | sing | 1.08Å | 1.06Å | |
| C6 | H6 | sing | 1.08Å | 1.06Å | |
| N4 | H4N1 | sing | 0.97Å | 1.00Å | |
| N4 | H4N2 | sing | 0.97Å | 1.00Å | |
| C1' | C2' | sing | 1.54Å | 1.54Å | |
| C1' | O4' | sing | 1.45Å | 1.43Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | C3' | sing | 1.54Å | 1.52Å | |
| C2' | H2'1 | sing | 1.09Å | 1.10Å | |
| C2' | H2'2 | sing | 1.09Å | 1.10Å | |
| C3' | C4' | sing | 1.54Å | 1.54Å | |
| C3' | N | sing | 1.47Å | 1.45Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.45Å | 1.45Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | O5' | sing | 1.43Å | 1.44Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| O5' | P | sing | 1.61Å | 1.59Å | |
| P | O1P | sing | 1.61Å | 1.49Å | |
| P | O2P | doub | 1.48Å | 1.62Å | |
| P | O3P | sing | 1.61Å | 1.49Å | |
| O1P | H1P | sing | 0.97Å | 0.95Å | |
| O3P | H3P | sing | 0.97Å | 0.95Å | |
| N | HN1 | sing | 1.01Å | 1.03Å | |
| N | HN2 | sing | 1.01Å | 1.03Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 120.6° | 120.3° |
| C2 | N1 | C1' | 117.7° | 119.8° |
| N1 | C2 | N3 | 119.8° | 121.0° |
| N1 | C2 | O2 | 118.3° | 119.5° |
| C6 | N1 | C1' | 121.7° | 119.8° |
| N1 | C6 | C5 | 120.5° | 119.3° |
| N1 | C6 | H6 | 119.8° | 120.3° |
| N1 | C1' | C2' | 111.2° | 110.4° |
| N1 | C1' | O4' | 108.4° | 110.5° |
| N1 | C1' | H1' | 108.1° | 110.4° |
| N3 | C2 | O2 | 121.8° | 119.5° |
| C2 | N3 | C4 | 119.5° | 120.7° |
| N3 | C4 | C5 | 122.3° | 119.6° |
| N3 | C4 | N4 | 117.0° | 120.2° |
| C5 | C4 | N4 | 120.8° | 120.2° |
| C4 | C5 | C6 | 117.3° | 119.0° |
| C4 | C5 | H5 | 121.3° | 120.5° |
| C4 | N4 | H4N1 | 120.0° | 120.0° |
| C4 | N4 | H4N2 | 120.0° | 120.1° |
| C6 | C5 | H5 | 121.3° | 120.6° |
| C5 | C6 | H6 | 119.7° | 120.4° |
| H4N1 | N4 | H4N2 | 120.1° | 119.9° |
| C2' | C1' | O4' | 106.4° | 104.8° |
| C2' | C1' | H1' | 110.0° | 110.3° |
| C1' | C2' | C3' | 99.9° | 104.1° |
| C1' | C2' | H2'1 | 111.8° | 110.5° |
| C1' | C2' | H2'2 | 115.0° | 110.5° |
| O4' | C1' | H1' | 112.7° | 110.4° |
| C1' | O4' | C4' | 108.5° | 105.4° |
| C3' | C2' | H2'1 | 111.8° | 110.5° |
| C3' | C2' | H2'2 | 114.9° | 110.5° |
| C2' | C3' | C4' | 99.6° | 104.2° |
| C2' | C3' | N | 111.1° | 110.5° |
| C2' | C3' | H3' | 116.6° | 110.5° |
| H2'1 | C2' | H2'2 | 103.8° | 110.6° |
| C4' | C3' | N | 114.6° | 110.5° |
| C4' | C3' | H3' | 113.3° | 110.5° |
| C3' | C4' | O4' | 103.6° | 104.7° |
| C3' | C4' | C5' | 118.0° | 110.7° |
| C3' | C4' | H4' | 107.2° | 110.2° |
| N | C3' | H3' | 102.2° | 110.4° |
| C3' | N | HN1 | 109.5° | 106.7° |
| C3' | N | HN2 | 109.5° | 106.7° |
| O4' | C4' | C5' | 107.2° | 110.3° |
| O4' | C4' | H4' | 118.0° | 110.4° |
| C5' | C4' | H4' | 103.6° | 110.4° |
| C4' | C5' | O5' | 109.8° | 109.5° |
| C4' | C5' | H5'1 | 109.4° | 109.5° |
| C4' | C5' | H5'2 | 109.3° | 109.5° |
| O5' | C5' | H5'1 | 109.4° | 109.4° |
| O5' | C5' | H5'2 | 109.3° | 109.4° |
| C5' | O5' | P | 121.9° | 106.9° |
| H5'1 | C5' | H5'2 | 109.7° | 109.5° |
| O5' | P | O1P | 107.8° | 109.5° |
| O5' | P | O2P | 103.6° | 109.5° |
| O5' | P | O3P | 108.1° | 109.5° |
| O1P | P | O2P | 112.1° | 109.5° |
| O1P | P | O3P | 118.8° | 109.4° |
| P | O1P | H1P | 107.8° | 106.8° |
| O2P | P | O3P | 105.4° | 109.5° |
| P | O3P | H3P | 108.1° | 106.8° |
| HN1 | N | HN2 | 109.4° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C1' | 179.8° | 179.7° |
| N1 | C2 | N3 | O2 | 179.5° | 179.4° |
| N1 | C2 | N3 | C4 | 0.4° | 0.6° |
| C2 | N1 | C6 | C5 | 0.0° | 0.4° |
| C2 | N1 | C6 | H6 | 180.0° | 179.8° |
| C2 | N1 | C1' | C2' | 83.0° | 60.3° |
| C2 | N1 | C1' | O4' | 160.4° | 55.1° |
| C2 | N1 | C1' | H1' | 37.9° | 177.5° |
| C6 | N1 | C2 | N3 | 0.2° | 0.6° |
| C6 | N1 | C2 | O2 | 179.2° | 180.0° |
| N1 | C6 | C5 | C4 | 0.8° | 0.1° |
| N1 | C6 | C5 | H6 | 180.0° | 179.9° |
| N1 | C6 | C5 | H5 | 179.2° | 180.0° |
| C6 | N1 | C1' | C2' | 96.8° | 120.0° |
| C6 | N1 | C1' | O4' | 19.8° | 124.6° |
| C6 | N1 | C1' | H1' | 142.3° | 2.2° |
| C1' | N1 | C2 | N3 | 180.0° | 179.7° |
| C1' | N1 | C2 | O2 | 0.5° | 0.3° |
| C1' | N1 | C6 | C5 | 179.8° | 180.0° |
| C1' | N1 | C6 | H6 | 0.2° | 0.1° |
| N1 | C1' | C2' | O4' | 117.8° | 119.0° |
| N1 | C1' | C2' | H1' | 119.8° | 122.2° |
| N1 | C1' | O4' | H1' | 119.7° | 122.4° |
| N1 | C1' | C2' | C3' | 85.4° | 142.9° |
| N1 | C1' | C2' | H2'1 | 33.0° | 24.3° |
| N1 | C1' | C2' | H2'2 | 151.0° | 98.4° |
| N1 | C1' | O4' | C4' | 113.7° | 159.3° |
| C2 | N3 | C4 | C5 | 1.3° | 0.4° |
| C2 | N3 | C4 | N4 | 178.2° | 179.7° |
| O2 | C2 | N3 | C4 | 179.9° | 180.0° |
| N3 | C4 | C5 | N4 | 179.5° | 179.9° |
| N3 | C4 | C5 | C6 | 1.5° | 0.1° |
| N3 | C4 | C5 | H5 | 178.5° | 180.0° |
| N3 | C4 | N4 | H4N1 | 0.0° | 0.1° |
| N3 | C4 | N4 | H4N2 | 180.0° | 179.9° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 179.2° | 180.0° |
| C5 | C4 | N4 | H4N1 | 179.5° | 180.0° |
| C5 | C4 | N4 | H4N2 | 0.5° | 0.0° |
| N4 | C4 | C5 | C6 | 177.9° | 180.0° |
| N4 | C4 | C5 | H5 | 2.0° | 0.1° |
| C4 | N4 | H4N1 | H4N2 | 180.0° | 180.0° |
| H5 | C5 | C6 | H6 | 0.8° | 0.1° |
| C2' | C1' | O4' | H1' | 120.7° | 118.7° |
| C1' | C2' | C3' | H2'1 | 118.4° | 118.6° |
| C1' | C2' | C3' | H2'2 | 123.6° | 118.7° |
| C1' | C2' | H2'1 | H2'2 | 124.5° | 122.7° |
| C1' | C2' | C3' | C4' | 44.3° | 0.1° |
| C1' | C2' | C3' | N | 165.5° | 118.7° |
| C1' | C2' | C3' | H3' | 77.9° | 118.7° |
| C2' | C1' | O4' | C4' | 5.9° | 40.4° |
| O4' | C1' | C2' | C3' | 32.4° | 24.0° |
| O4' | C1' | C2' | H2'1 | 150.8° | 94.7° |
| O4' | C1' | C2' | H2'2 | 91.2° | 142.6° |
| C1' | O4' | C4' | C3' | 22.9° | 40.3° |
| C1' | O4' | C4' | C5' | 148.5° | 159.5° |
| C1' | O4' | C4' | H4' | 95.3° | 78.2° |
| H1' | C1' | C2' | C3' | 154.8° | 94.8° |
| H1' | C1' | C2' | H2'1 | 86.7° | 146.5° |
| H1' | C1' | C2' | H2'2 | 31.2° | 23.8° |
| H1' | C1' | O4' | C4' | 126.6° | 78.3° |
| C3' | C2' | H2'1 | H2'2 | 124.4° | 122.6° |
| C2' | C3' | C4' | N | 118.6° | 118.8° |
| C2' | C3' | C4' | H3' | 124.6° | 118.7° |
| C2' | C3' | N | H3' | 125.1° | 122.6° |
| C2' | C3' | C4' | O4' | 42.5° | 23.8° |
| C2' | C3' | C4' | C5' | 160.8° | 142.7° |
| C2' | C3' | C4' | H4' | 83.0° | 94.9° |
| C2' | C3' | N | HN1 | 177.5° | 63.3° |
| C2' | C3' | N | HN2 | 57.5° | 177.1° |
| H2'1 | C2' | C3' | C4' | 162.8° | 118.5° |
| H2'1 | C2' | C3' | N | 76.1° | 122.7° |
| H2'1 | C2' | C3' | H3' | 40.5° | 0.1° |
| H2'2 | C2' | C3' | C4' | 79.3° | 118.8° |
| H2'2 | C2' | C3' | N | 41.8° | 0.0° |
| H2'2 | C2' | C3' | H3' | 158.5° | 122.6° |
| C4' | C3' | N | H3' | 123.0° | 122.5° |
| C3' | C4' | O4' | C5' | 125.5° | 119.2° |
| C3' | C4' | O4' | H4' | 118.2° | 118.6° |
| C3' | C4' | C5' | H4' | 118.2° | 122.3° |
| C3' | C4' | C5' | O5' | 52.1° | 176.9° |
| C3' | C4' | C5' | H5'1 | 67.9° | 63.1° |
| C3' | C4' | C5' | H5'2 | 172.0° | 56.9° |
| C4' | C3' | N | HN1 | 65.6° | 178.2° |
| C4' | C3' | N | HN2 | 54.4° | 68.1° |
| N | C3' | C4' | O4' | 161.1° | 142.6° |
| N | C3' | C4' | C5' | 80.6° | 98.5° |
| N | C3' | C4' | H4' | 35.7° | 23.9° |
| C3' | N | HN1 | HN2 | 120.0° | 113.8° |
| H3' | C3' | C4' | O4' | 82.1° | 94.9° |
| H3' | C3' | C4' | C5' | 36.2° | 24.0° |
| H3' | C3' | C4' | H4' | 152.4° | 146.4° |
| H3' | C3' | N | HN1 | 57.4° | 59.3° |
| H3' | C3' | N | HN2 | 177.4° | 54.5° |
| O4' | C4' | C5' | H4' | 125.4° | 122.3° |
| O4' | C4' | C5' | O5' | 64.3° | 61.5° |
| O4' | C4' | C5' | H5'1 | 175.7° | 178.6° |
| O4' | C4' | C5' | H5'2 | 55.6° | 58.5° |
| C4' | C5' | O5' | H5'1 | 120.1° | 120.0° |
| C4' | C5' | O5' | H5'2 | 119.8° | 120.0° |
| C4' | C5' | H5'1 | H5'2 | 119.8° | 120.0° |
| C4' | C5' | O5' | P | 175.1° | 180.0° |
| H4' | C4' | C5' | O5' | 170.3° | 60.8° |
| H4' | C4' | C5' | H5'1 | 50.2° | 59.2° |
| H4' | C4' | C5' | H5'2 | 69.8° | 179.2° |
| O5' | C5' | H5'1 | H5'2 | 119.9° | 120.0° |
| C5' | O5' | P | O1P | 174.8° | 180.0° |
| C5' | O5' | P | O2P | 66.3° | 60.0° |
| C5' | O5' | P | O3P | 45.2° | 60.0° |
| H5'1 | C5' | O5' | P | 64.9° | 60.0° |
| H5'2 | C5' | O5' | P | 55.2° | 60.0° |
| O5' | P | O1P | O2P | 113.4° | 120.0° |
| O5' | P | O1P | O3P | 123.2° | 120.0° |
| O5' | P | O2P | O3P | 113.4° | 120.0° |
| O5' | P | O1P | H1P | 180.0° | 180.0° |
| O5' | P | O3P | H3P | 180.0° | 60.0° |
| O1P | P | O2P | O3P | 130.6° | 120.0° |
| O1P | P | O3P | H3P | 57.0° | 60.0° |
| O2P | P | O1P | H1P | 66.6° | 60.0° |
| O2P | P | O3P | H3P | 69.7° | 180.0° |
| O3P | P | O1P | H1P | 56.8° | 60.0° |
