47C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.35Å | 1.35Å | |
| N1 | C6 | sing | 1.36Å | 1.34Å | |
| N1 | C1' | sing | 1.46Å | 1.45Å | |
| C2 | N3 | sing | 1.33Å | 1.34Å | |
| C2 | O2 | doub | 1.22Å | 1.25Å | |
| N3 | C4 | doub | 1.33Å | 1.33Å | |
| C4 | C5 | sing | 1.41Å | 1.37Å | |
| C4 | N4 | sing | 1.38Å | 1.32Å | |
| C5 | C6 | doub | 1.35Å | 1.36Å | |
| N4 | O | sing | 1.42Å | 1.40Å | |
| C1' | C2' | sing | 1.54Å | 1.52Å | |
| C1' | O4' | sing | 1.44Å | 1.40Å | |
| C2' | C3' | sing | 1.55Å | 1.50Å | |
| CM2 | O | sing | 1.43Å | 1.44Å | |
| CM2 | CD | sing | 1.51Å | 1.53Å | |
| C3' | C4' | sing | 1.55Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.40Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C5' | sing | 1.53Å | 1.50Å | |
| CD | CE | doub | 1.31Å | 1.33Å | |
| C5' | O5' | sing | 1.43Å | 1.40Å | |
| O5' | P | sing | 1.61Å | 1.58Å | |
| P | OP1 | doub | 1.48Å | 1.48Å | |
| P | OP2 | sing | 1.61Å | 1.48Å | |
| P | OP3 | sing | 1.61Å | 1.59Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| C2' | H2'1 | sing | 1.09Å | 1.10Å | |
| C2' | H2'2 | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| CM2 | HM21 | sing | 1.09Å | 1.10Å | |
| CM2 | HM22 | sing | 1.09Å | 1.10Å | |
| CD | HD | sing | 1.08Å | 1.08Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| OP2 | H2P | sing | 0.97Å | 0.95Å | |
| O3' | H55 | sing | 0.97Å | 0.95Å | |
| CE | HE5 | sing | 1.08Å | 1.08Å | |
| CE | HE6 | sing | 1.08Å | 1.08Å | |
| OP3 | H3P | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 120.8° | 120.3° |
| C2 | N1 | C1' | 123.3° | 119.8° |
| N1 | C2 | N3 | 118.8° | 121.1° |
| N1 | C2 | O2 | 121.8° | 119.5° |
| C6 | N1 | C1' | 115.9° | 119.8° |
| N1 | C6 | C5 | 121.7° | 119.3° |
| N1 | C6 | H6 | 119.1° | 120.3° |
| N1 | C1' | C2' | 110.0° | 109.9° |
| N1 | C1' | O4' | 113.2° | 109.9° |
| N1 | C1' | H1' | 104.7° | 109.9° |
| N3 | C2 | O2 | 119.4° | 119.4° |
| C2 | N3 | C4 | 120.6° | 120.7° |
| N3 | C4 | C5 | 122.5° | 119.6° |
| N3 | C4 | N4 | 117.9° | 120.2° |
| C5 | C4 | N4 | 119.6° | 120.2° |
| C4 | C5 | C6 | 115.6° | 119.0° |
| C4 | C5 | H5 | 122.2° | 120.5° |
| C4 | N4 | O | 119.6° | 120.0° |
| C4 | N4 | H4 | 120.2° | 120.0° |
| C5 | C6 | H6 | 119.1° | 120.4° |
| C6 | C5 | H5 | 122.2° | 120.5° |
| N4 | O | CM2 | 103.5° | 114.0° |
| O | N4 | H4 | 120.2° | 120.0° |
| C2' | C1' | O4' | 102.6° | 107.3° |
| C1' | C2' | C3' | 100.4° | 104.2° |
| C2' | C1' | H1' | 114.9° | 109.9° |
| C1' | C2' | H2'1 | 112.6° | 110.5° |
| C1' | C2' | H2'2 | 114.5° | 110.5° |
| C1' | O4' | C4' | 105.7° | 107.0° |
| O4' | C1' | H1' | 111.8° | 110.0° |
| C2' | C3' | C4' | 102.0° | 102.1° |
| C2' | C3' | O3' | 110.1° | 110.9° |
| C3' | C2' | H2'1 | 112.6° | 110.5° |
| C3' | C2' | H2'2 | 114.5° | 110.4° |
| C2' | C3' | H3' | 114.1° | 110.9° |
| O | CM2 | CD | 104.7° | 109.5° |
| O | CM2 | HM21 | 111.1° | 109.5° |
| O | CM2 | HM22 | 112.1° | 109.5° |
| CM2 | CD | CE | 120.4° | 120.0° |
| CD | CM2 | HM21 | 111.1° | 109.5° |
| CD | CM2 | HM22 | 112.1° | 109.5° |
| CM2 | CD | HD | 119.8° | 120.0° |
| C4' | C3' | O3' | 110.2° | 110.9° |
| C3' | C4' | O4' | 107.2° | 103.5° |
| C3' | C4' | C5' | 112.3° | 110.6° |
| C4' | C3' | H3' | 114.0° | 110.9° |
| C3' | C4' | H4' | 109.1° | 110.6° |
| O3' | C3' | H3' | 106.4° | 110.8° |
| C3' | O3' | H55 | 109.5° | 114.1° |
| O4' | C4' | C5' | 109.4° | 110.6° |
| O4' | C4' | H4' | 112.0° | 110.6° |
| C4' | C5' | O5' | 107.9° | 109.5° |
| C5' | C4' | H4' | 106.8° | 110.7° |
| C4' | C5' | H5'1 | 110.0° | 109.5° |
| C4' | C5' | H5'2 | 110.3° | 109.5° |
| CE | CD | HD | 119.8° | 120.1° |
| CD | CE | HE5 | 108.3° | 120.1° |
| CD | CE | HE6 | 125.9° | 120.0° |
| C5' | O5' | P | 117.4° | 123.0° |
| O5' | C5' | H5'1 | 110.0° | 109.5° |
| O5' | C5' | H5'2 | 110.4° | 109.5° |
| O5' | P | OP1 | 109.0° | 109.5° |
| O5' | P | OP2 | 106.4° | 109.5° |
| O5' | P | OP3 | 100.6° | 109.5° |
| OP1 | P | OP2 | 122.4° | 109.5° |
| OP1 | P | OP3 | 106.1° | 109.5° |
| OP2 | P | OP3 | 110.3° | 109.5° |
| P | OP2 | H2P | 109.5° | 114.0° |
| P | OP3 | H3P | 109.5° | 114.0° |
| H2'1 | C2' | H2'2 | 102.7° | 110.6° |
| HM21 | CM2 | HM22 | 105.9° | 109.5° |
| H5'1 | C5' | H5'2 | 108.2° | 109.4° |
| HE5 | CE | HE6 | 125.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C1' | 177.6° | 179.7° |
| N1 | C2 | N3 | O2 | 179.4° | 179.9° |
| N1 | C2 | N3 | C4 | 0.8° | 0.0° |
| C2 | N1 | C6 | C5 | 1.0° | 0.0° |
| C2 | N1 | C1' | C2' | 137.9° | 65.0° |
| C2 | N1 | C1' | O4' | 107.9° | 52.8° |
| C2 | N1 | C6 | H6 | 179.0° | 180.0° |
| C2 | N1 | C1' | H1' | 14.0° | 174.0° |
| C6 | N1 | C2 | N3 | 1.2° | 0.0° |
| C6 | N1 | C2 | O2 | 179.4° | 180.0° |
| N1 | C6 | C5 | C4 | 0.3° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C6 | N1 | C1' | C2' | 39.6° | 114.7° |
| C6 | N1 | C1' | O4' | 74.6° | 127.5° |
| C6 | N1 | C1' | H1' | 163.5° | 6.3° |
| N1 | C6 | C5 | H5 | 179.7° | 180.0° |
| C1' | N1 | C2 | N3 | 178.6° | 179.8° |
| C1' | N1 | C2 | O2 | 2.0° | 0.3° |
| C1' | N1 | C6 | C5 | 178.5° | 179.7° |
| N1 | C1' | C2' | O4' | 120.7° | 119.4° |
| N1 | C1' | C2' | H1' | 117.7° | 121.0° |
| N1 | C1' | O4' | H1' | 117.9° | 121.1° |
| N1 | C1' | C2' | C3' | 168.1° | 121.5° |
| N1 | C1' | O4' | C4' | 158.7° | 145.9° |
| C1' | N1 | C6 | H6 | 1.5° | 0.2° |
| N1 | C1' | C2' | H2'1 | 71.9° | 119.9° |
| N1 | C1' | C2' | H2'2 | 45.0° | 2.8° |
| C2 | N3 | C4 | C5 | 0.1° | 0.0° |
| C2 | N3 | C4 | N4 | 180.0° | 180.0° |
| O2 | C2 | N3 | C4 | 179.8° | 180.0° |
| N3 | C4 | C5 | N4 | 179.9° | 180.0° |
| N3 | C4 | C5 | C6 | 0.1° | 0.0° |
| N3 | C4 | N4 | O | 179.7° | 0.0° |
| N3 | C4 | C5 | H5 | 179.9° | 180.0° |
| N3 | C4 | N4 | H4 | 0.3° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C5 | C4 | N4 | O | 0.4° | 179.9° |
| C4 | C5 | C6 | H6 | 179.7° | 180.0° |
| C5 | C4 | N4 | H4 | 179.6° | 0.0° |
| N4 | C4 | C5 | C6 | 179.8° | 180.0° |
| C4 | N4 | O | H4 | 180.0° | 180.0° |
| C4 | N4 | O | CM2 | 131.0° | 180.0° |
| N4 | C4 | C5 | H5 | 0.2° | 0.1° |
| N4 | O | CM2 | CD | 162.3° | 180.0° |
| N4 | O | CM2 | HM21 | 77.7° | 60.0° |
| N4 | O | CM2 | HM22 | 40.5° | 60.0° |
| C2' | C1' | O4' | H1' | 123.6° | 119.5° |
| C1' | C2' | C3' | H2'1 | 120.0° | 118.7° |
| C1' | C2' | C3' | H2'2 | 123.1° | 118.7° |
| C1' | C2' | C3' | C4' | 34.8° | 20.9° |
| C1' | C2' | C3' | O3' | 82.3° | 139.1° |
| C2' | C1' | O4' | C4' | 40.3° | 26.5° |
| C1' | C2' | H2'1 | H2'2 | 123.7° | 122.7° |
| C1' | C2' | C3' | H3' | 158.2° | 97.3° |
| O4' | C1' | C2' | C3' | 47.4° | 2.0° |
| C1' | O4' | C4' | C3' | 17.8° | 40.1° |
| C1' | O4' | C4' | C5' | 139.8° | 158.6° |
| O4' | C1' | C2' | H2'1 | 167.4° | 120.7° |
| O4' | C1' | C2' | H2'2 | 75.7° | 116.6° |
| C1' | O4' | C4' | H4' | 101.9° | 78.4° |
| C2' | C3' | C4' | O3' | 117.0° | 118.2° |
| C2' | C3' | C4' | H3' | 123.5° | 118.2° |
| C2' | C3' | O3' | H3' | 124.1° | 123.6° |
| C2' | C3' | C4' | O4' | 12.3° | 37.0° |
| C2' | C3' | C4' | C5' | 107.9° | 155.5° |
| C3' | C2' | C1' | H1' | 74.1° | 117.6° |
| C3' | C2' | H2'1 | H2'2 | 123.7° | 122.6° |
| C2' | C3' | C4' | H4' | 133.8° | 81.5° |
| C2' | C3' | O3' | H55 | 117.5° | 61.4° |
| O | CM2 | CD | HM21 | 120.0° | 120.0° |
| O | CM2 | CD | HM22 | 121.8° | 120.0° |
| O | CM2 | CD | CE | 126.8° | 135.0° |
| CM2 | O | N4 | H4 | 49.0° | 0.0° |
| O | CM2 | HM21 | HM22 | 121.9° | 120.0° |
| O | CM2 | CD | HD | 53.2° | 45.0° |
| CM2 | CD | CE | HD | 180.0° | 180.0° |
| CD | CM2 | HM21 | HM22 | 121.9° | 120.0° |
| CM2 | CD | CE | HE5 | 180.0° | 0.0° |
| CM2 | CD | CE | HE6 | 0.0° | 180.0° |
| C4' | C3' | O3' | H3' | 124.1° | 123.7° |
| C3' | C4' | O4' | C5' | 122.1° | 118.5° |
| C3' | C4' | O4' | H4' | 119.6° | 118.5° |
| C3' | C4' | C5' | H4' | 119.6° | 123.0° |
| C3' | C4' | C5' | O5' | 62.5° | 175.0° |
| C4' | C3' | C2' | H2'1 | 154.7° | 97.8° |
| C4' | C3' | C2' | H2'2 | 88.4° | 139.6° |
| C3' | C4' | C5' | H5'1 | 177.5° | 55.0° |
| C3' | C4' | C5' | H5'2 | 58.2° | 65.0° |
| C4' | C3' | O3' | H55 | 130.7° | 174.2° |
| O3' | C3' | C4' | O4' | 104.7° | 155.2° |
| O3' | C3' | C4' | C5' | 135.1° | 86.3° |
| O3' | C3' | C2' | H2'1 | 37.7° | 20.5° |
| O3' | C3' | C2' | H2'2 | 154.6° | 102.2° |
| O3' | C3' | C4' | H4' | 16.8° | 36.7° |
| O4' | C4' | C5' | H4' | 121.5° | 123.0° |
| O4' | C4' | C5' | O5' | 56.5° | 70.9° |
| C4' | O4' | C1' | H1' | 83.4° | 93.0° |
| O4' | C4' | C3' | H3' | 135.7° | 81.2° |
| O4' | C4' | C5' | H5'1 | 63.5° | 169.0° |
| O4' | C4' | C5' | H5'2 | 177.1° | 49.1° |
| C4' | C5' | O5' | H5'1 | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'2 | 120.6° | 120.0° |
| C4' | C5' | O5' | P | 178.4° | 180.0° |
| C5' | C4' | C3' | H3' | 15.5° | 37.4° |
| C4' | C5' | H5'1 | H5'2 | 120.6° | 120.0° |
| CE | CD | CM2 | HM21 | 6.8° | 15.1° |
| CE | CD | CM2 | HM22 | 111.4° | 105.0° |
| CD | CE | HE5 | HE6 | 180.0° | 180.0° |
| C5' | O5' | P | OP1 | 35.2° | 55.0° |
| C5' | O5' | P | OP2 | 169.0° | 65.0° |
| C5' | O5' | P | OP3 | 76.0° | 175.0° |
| O5' | C5' | C4' | H4' | 177.9° | 52.0° |
| O5' | C5' | H5'1 | H5'2 | 120.7° | 120.0° |
| O5' | P | OP1 | OP2 | 124.9° | 120.0° |
| O5' | P | OP1 | OP3 | 107.5° | 120.0° |
| O5' | P | OP2 | OP3 | 108.2° | 120.0° |
| P | O5' | C5' | H5'1 | 61.6° | 60.0° |
| P | O5' | C5' | H5'2 | 57.8° | 60.0° |
| O5' | P | OP2 | H2P | 17.2° | 60.0° |
| O5' | P | OP3 | H3P | 23.7° | 179.9° |
| OP1 | P | OP2 | OP3 | 125.8° | 120.0° |
| OP1 | P | OP2 | H2P | 143.3° | 180.0° |
| OP1 | P | OP3 | H3P | 89.8° | 60.0° |
| OP2 | P | OP3 | H3P | 135.6° | 60.0° |
| OP3 | P | OP2 | H2P | 91.0° | 60.0° |
| H6 | C6 | C5 | H5 | 0.3° | 0.0° |
| H1' | C1' | C2' | H2'1 | 45.9° | 1.1° |
| H1' | C1' | C2' | H2'2 | 162.7° | 123.8° |
| H2'1 | C2' | C3' | H3' | 81.8° | 144.0° |
| H2'2 | C2' | C3' | H3' | 35.0° | 21.3° |
| H3' | C3' | C4' | H4' | 102.7° | 160.4° |
| H3' | C3' | O3' | H55 | 6.6° | 62.1° |
| HM21 | CM2 | CD | HD | 173.2° | 165.0° |
| HM22 | CM2 | CD | HD | 68.6° | 75.0° |
| HD | CD | CE | HE5 | 0.1° | 180.0° |
| HD | CD | CE | HE6 | 180.0° | 0.0° |
| H4' | C4' | C5' | H5'1 | 57.9° | 68.0° |
| H4' | C4' | C5' | H5'2 | 61.4° | 172.1° |
