C45
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.34Å | 1.48Å | |
| N1 | C6 | sing | 1.36Å | 1.44Å | |
| N1 | C1' | sing | 1.46Å | 1.46Å | |
| C2 | N3 | sing | 1.33Å | 1.32Å | |
| C2 | O2 | doub | 1.22Å | 1.13Å | |
| N3 | C4 | doub | 1.33Å | 1.37Å | |
| C4 | C5 | sing | 1.41Å | 1.52Å | |
| C4 | N4 | sing | 1.38Å | 1.28Å | |
| C5 | C6 | doub | 1.35Å | 1.36Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| N4 | O | sing | 1.41Å | 1.39Å | |
| N4 | H4 | sing | 0.97Å | 1.02Å | |
| C1' | C2' | sing | 1.54Å | 1.52Å | |
| C1' | O4' | sing | 1.44Å | 1.48Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| C2' | C3' | sing | 1.55Å | 1.43Å | |
| C2' | H2'1 | sing | 1.09Å | 1.11Å | |
| C2' | H2'2 | sing | 1.09Å | 1.12Å | |
| CM2 | O | sing | 1.43Å | 1.49Å | |
| CM2 | HM21 | sing | 1.09Å | 1.11Å | |
| CM2 | HM22 | sing | 1.09Å | 1.11Å | |
| CM2 | HM23 | sing | 1.09Å | 1.12Å | |
| C3' | C4' | sing | 1.55Å | 1.57Å | |
| C3' | O3' | sing | 1.43Å | 1.50Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.45Å | 1.40Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O3' | HA | sing | 0.97Å | 0.95Å | |
| C5' | O5' | sing | 1.43Å | 1.61Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.12Å | |
| O5' | P | sing | 1.61Å | 1.60Å | |
| P | O1P | sing | 1.61Å | 1.63Å | |
| P | O2P | sing | 1.61Å | 1.60Å | |
| P | O3P | doub | 1.48Å | 1.58Å | |
| O1P | H1P | sing | 0.97Å | 0.95Å | |
| O2P | H2P | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 118.2° | 120.3° |
| C2 | N1 | C1' | 125.9° | 119.9° |
| N1 | C2 | N3 | 114.4° | 121.1° |
| N1 | C2 | O2 | 124.6° | 119.5° |
| C6 | N1 | C1' | 115.8° | 119.8° |
| N1 | C6 | C5 | 124.7° | 119.3° |
| N1 | C6 | H6 | 117.6° | 120.4° |
| N1 | C1' | C2' | 120.5° | 109.9° |
| N1 | C1' | O4' | 104.0° | 109.8° |
| N1 | C1' | H1' | 109.1° | 109.9° |
| N3 | C2 | O2 | 120.6° | 119.4° |
| C2 | N3 | C4 | 130.4° | 120.7° |
| N3 | C4 | C5 | 116.4° | 119.6° |
| N3 | C4 | N4 | 125.6° | 120.2° |
| C5 | C4 | N4 | 118.0° | 120.2° |
| C4 | C5 | C6 | 115.4° | 119.0° |
| C4 | C5 | H5 | 122.3° | 120.6° |
| C4 | N4 | O | 103.7° | 120.0° |
| C4 | N4 | H4 | 128.2° | 120.0° |
| C6 | C5 | H5 | 122.3° | 120.5° |
| C5 | C6 | H6 | 117.6° | 120.4° |
| O | N4 | H4 | 128.2° | 120.0° |
| N4 | O | CM2 | 101.7° | 106.8° |
| C2' | C1' | O4' | 104.4° | 107.4° |
| C2' | C1' | H1' | 109.1° | 109.9° |
| C1' | C2' | C3' | 100.7° | 104.2° |
| C1' | C2' | H2'1 | 115.6° | 110.5° |
| C1' | C2' | H2'2 | 115.6° | 110.5° |
| O4' | C1' | H1' | 109.1° | 109.9° |
| C1' | O4' | C4' | 107.8° | 106.8° |
| C3' | C2' | H2'1 | 115.6° | 110.5° |
| C3' | C2' | H2'2 | 115.6° | 110.5° |
| C2' | C3' | C4' | 109.0° | 102.1° |
| C2' | C3' | O3' | 116.5° | 110.9° |
| C2' | C3' | H3' | 109.0° | 110.9° |
| H2'1 | C2' | H2'2 | 94.9° | 110.5° |
| O | CM2 | HM21 | 101.7° | 109.5° |
| O | CM2 | HM22 | 115.2° | 109.5° |
| O | CM2 | HM23 | 115.2° | 109.4° |
| HM21 | CM2 | HM22 | 115.2° | 109.5° |
| HM21 | CM2 | HM23 | 115.2° | 109.4° |
| HM22 | CM2 | HM23 | 95.2° | 109.5° |
| C4' | C3' | O3' | 104.0° | 110.9° |
| C4' | C3' | H3' | 109.0° | 110.9° |
| C3' | C4' | O4' | 103.4° | 103.6° |
| C3' | C4' | C5' | 119.9° | 110.7° |
| C3' | C4' | H4' | 108.8° | 110.6° |
| O3' | C3' | H3' | 109.0° | 110.8° |
| C3' | O3' | HA | 104.0° | 106.8° |
| O4' | C4' | C5' | 106.6° | 110.8° |
| O4' | C4' | H4' | 108.8° | 110.5° |
| C5' | C4' | H4' | 108.8° | 110.5° |
| C4' | C5' | O5' | 94.2° | 109.5° |
| C4' | C5' | H5'1 | 118.2° | 109.5° |
| C4' | C5' | H5'2 | 118.2° | 109.5° |
| O5' | C5' | H5'1 | 118.2° | 109.4° |
| O5' | C5' | H5'2 | 118.2° | 109.5° |
| C5' | O5' | P | 116.5° | 106.9° |
| H5'1 | C5' | H5'2 | 92.0° | 109.5° |
| O5' | P | O1P | 113.9° | 109.5° |
| O5' | P | O2P | 114.0° | 109.4° |
| O5' | P | O3P | 104.6° | 109.5° |
| O1P | P | O2P | 104.1° | 109.5° |
| O1P | P | O3P | 105.5° | 109.5° |
| P | O1P | H1P | 113.9° | 106.8° |
| O2P | P | O3P | 114.6° | 109.5° |
| P | O2P | H2P | 114.0° | 106.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C1' | 176.9° | 179.9° |
| N1 | C2 | N3 | O2 | 173.3° | 179.9° |
| N1 | C2 | N3 | C4 | 4.5° | 0.1° |
| C2 | N1 | C6 | C5 | 8.0° | 0.3° |
| C2 | N1 | C6 | H6 | 172.0° | 179.9° |
| C2 | N1 | C1' | C2' | 96.5° | 59.7° |
| C2 | N1 | C1' | O4' | 147.1° | 58.3° |
| C2 | N1 | C1' | H1' | 30.8° | 179.3° |
| C6 | N1 | C2 | N3 | 6.5° | 0.0° |
| C6 | N1 | C2 | O2 | 179.6° | 179.9° |
| N1 | C6 | C5 | C4 | 6.0° | 0.6° |
| N1 | C6 | C5 | H6 | 180.0° | 179.6° |
| N1 | C6 | C5 | H5 | 174.0° | 180.0° |
| C6 | N1 | C1' | C2' | 86.8° | 120.3° |
| C6 | N1 | C1' | O4' | 29.5° | 121.8° |
| C6 | N1 | C1' | H1' | 145.8° | 0.8° |
| C1' | N1 | C2 | N3 | 176.9° | 179.9° |
| C1' | N1 | C2 | O2 | 3.9° | 0.0° |
| C1' | N1 | C6 | C5 | 175.1° | 179.7° |
| C1' | N1 | C6 | H6 | 4.9° | 0.1° |
| N1 | C1' | C2' | O4' | 116.2° | 119.4° |
| N1 | C1' | C2' | H1' | 127.3° | 121.0° |
| N1 | C1' | O4' | H1' | 116.3° | 121.0° |
| N1 | C1' | C2' | C3' | 153.9° | 121.4° |
| N1 | C1' | C2' | H2'1 | 80.9° | 119.9° |
| N1 | C1' | C2' | H2'2 | 28.6° | 2.7° |
| N1 | C1' | O4' | C4' | 162.7° | 145.8° |
| C2 | N3 | C4 | C5 | 2.7° | 0.2° |
| C2 | N3 | C4 | N4 | 175.6° | 179.9° |
| O2 | C2 | N3 | C4 | 177.8° | 180.0° |
| N3 | C4 | C5 | N4 | 178.5° | 179.8° |
| N3 | C4 | C5 | C6 | 3.0° | 0.5° |
| N3 | C4 | C5 | H5 | 177.0° | 180.0° |
| N3 | C4 | N4 | O | 3.2° | 0.1° |
| N3 | C4 | N4 | H4 | 176.8° | 179.9° |
| C4 | C5 | C6 | H5 | 180.0° | 179.5° |
| C4 | C5 | C6 | H6 | 174.0° | 179.8° |
| C5 | C4 | N4 | O | 178.5° | 179.7° |
| C5 | C4 | N4 | H4 | 1.5° | 0.2° |
| N4 | C4 | C5 | C6 | 175.4° | 179.7° |
| N4 | C4 | C5 | H5 | 4.6° | 0.3° |
| C4 | N4 | O | H4 | 180.0° | 179.8° |
| C4 | N4 | O | CM2 | 177.6° | 180.0° |
| H5 | C5 | C6 | H6 | 6.0° | 0.3° |
| N4 | O | CM2 | HM21 | 180.0° | 180.0° |
| N4 | O | CM2 | HM22 | 54.7° | 59.9° |
| N4 | O | CM2 | HM23 | 54.7° | 60.1° |
| H4 | N4 | O | CM2 | 2.4° | 0.1° |
| C2' | C1' | O4' | H1' | 116.5° | 119.5° |
| C1' | C2' | C3' | H2'1 | 125.3° | 118.7° |
| C1' | C2' | C3' | H2'2 | 125.3° | 118.7° |
| C1' | C2' | H2'1 | H2'2 | 121.4° | 122.7° |
| C1' | C2' | C3' | C4' | 27.3° | 20.9° |
| C1' | C2' | C3' | O3' | 89.9° | 139.1° |
| C1' | C2' | C3' | H3' | 146.2° | 97.3° |
| C2' | C1' | O4' | C4' | 35.5° | 26.3° |
| O4' | C1' | C2' | C3' | 37.7° | 2.0° |
| O4' | C1' | C2' | H2'1 | 163.0° | 120.7° |
| O4' | C1' | C2' | H2'2 | 87.5° | 116.7° |
| C1' | O4' | C4' | C3' | 17.7° | 39.9° |
| C1' | O4' | C4' | C5' | 145.0° | 158.5° |
| C1' | O4' | C4' | H4' | 97.9° | 78.6° |
| H1' | C1' | C2' | C3' | 78.8° | 117.6° |
| H1' | C1' | C2' | H2'1 | 46.5° | 1.1° |
| H1' | C1' | C2' | H2'2 | 155.9° | 123.8° |
| H1' | C1' | O4' | C4' | 81.0° | 93.2° |
| C3' | C2' | H2'1 | H2'2 | 121.4° | 122.5° |
| C2' | C3' | C4' | O3' | 124.9° | 118.2° |
| C2' | C3' | C4' | H3' | 118.9° | 118.2° |
| C2' | C3' | O3' | H3' | 123.8° | 123.7° |
| C2' | C3' | C4' | O4' | 7.1° | 36.9° |
| C2' | C3' | C4' | C5' | 111.3° | 155.7° |
| C2' | C3' | C4' | H4' | 122.6° | 81.5° |
| C2' | C3' | O3' | HA | 60.1° | 61.4° |
| H2'1 | C2' | C3' | C4' | 152.6° | 97.9° |
| H2'1 | C2' | C3' | O3' | 35.3° | 20.4° |
| H2'1 | C2' | C3' | H3' | 88.5° | 144.0° |
| H2'2 | C2' | C3' | C4' | 98.0° | 139.6° |
| H2'2 | C2' | C3' | O3' | 144.8° | 102.2° |
| H2'2 | C2' | C3' | H3' | 20.9° | 21.4° |
| O | CM2 | HM21 | HM22 | 125.3° | 120.0° |
| O | CM2 | HM21 | HM23 | 125.3° | 119.9° |
| O | CM2 | HM22 | HM23 | 121.0° | 120.0° |
| HM21 | CM2 | HM22 | HM23 | 121.0° | 120.0° |
| C4' | C3' | O3' | H3' | 116.2° | 123.6° |
| C3' | C4' | O4' | C5' | 127.3° | 118.7° |
| C3' | C4' | O4' | H4' | 115.5° | 118.5° |
| C3' | C4' | C5' | H4' | 126.1° | 122.9° |
| C4' | C3' | O3' | HA | 180.0° | 174.2° |
| C3' | C4' | C5' | O5' | 50.6° | 180.0° |
| C3' | C4' | C5' | H5'1 | 175.8° | 60.1° |
| C3' | C4' | C5' | H5'2 | 74.7° | 60.0° |
| O3' | C3' | C4' | O4' | 117.8° | 155.2° |
| O3' | C3' | C4' | C5' | 123.8° | 86.1° |
| O3' | C3' | C4' | H4' | 2.3° | 36.8° |
| H3' | C3' | C4' | O4' | 125.9° | 81.3° |
| H3' | C3' | C4' | C5' | 7.6° | 37.5° |
| H3' | C3' | C4' | H4' | 118.6° | 160.3° |
| H3' | C3' | O3' | HA | 63.8° | 62.2° |
| O4' | C4' | C5' | H4' | 117.1° | 122.8° |
| O4' | C4' | C5' | O5' | 66.2° | 65.7° |
| O4' | C4' | C5' | H5'1 | 59.1° | 174.3° |
| O4' | C4' | C5' | H5'2 | 168.5° | 54.3° |
| C4' | C5' | O5' | H5'1 | 125.3° | 120.0° |
| C4' | C5' | O5' | H5'2 | 125.3° | 120.0° |
| C4' | C5' | H5'1 | H5'2 | 123.8° | 120.0° |
| C4' | C5' | O5' | P | 146.6° | 180.0° |
| H4' | C4' | C5' | O5' | 176.7° | 57.1° |
| H4' | C4' | C5' | H5'1 | 58.0° | 62.8° |
| H4' | C4' | C5' | H5'2 | 51.4° | 177.1° |
| O5' | C5' | H5'1 | H5'2 | 123.8° | 120.0° |
| C5' | O5' | P | O1P | 38.8° | 180.0° |
| C5' | O5' | P | O2P | 80.5° | 60.1° |
| C5' | O5' | P | O3P | 153.5° | 60.0° |
| H5'1 | C5' | O5' | P | 88.1° | 60.0° |
| H5'2 | C5' | O5' | P | 21.3° | 60.0° |
| O5' | P | O1P | O2P | 124.8° | 120.0° |
| O5' | P | O1P | O3P | 114.2° | 120.0° |
| O5' | P | O2P | O3P | 120.5° | 120.0° |
| O5' | P | O1P | H1P | 180.0° | 180.0° |
| O5' | P | O2P | H2P | 180.0° | 60.0° |
| O1P | P | O2P | O3P | 114.7° | 120.0° |
| O1P | P | O2P | H2P | 55.2° | 60.0° |
| O2P | P | O1P | H1P | 55.2° | 60.0° |
| O3P | P | O1P | H1P | 65.8° | 60.0° |
| O3P | P | O2P | H2P | 59.5° | 180.0° |
