Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3P | P | sing | 1.61Å | 1.48Å | |
O3P | H3P | sing | 0.97Å | 0.95Å | |
P | O1P | doub | 1.48Å | 1.46Å | |
P | O2P | sing | 1.61Å | 1.62Å | |
P | O5' | sing | 1.61Å | 1.56Å | |
O2P | H2P | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.44Å | |
C5' | C4' | sing | 1.53Å | 1.57Å | |
C5' | H5'1 | sing | 1.09Å | 1.12Å | |
C5' | H5'2 | sing | 1.09Å | 1.12Å | |
C4' | O4' | sing | 1.44Å | 1.46Å | |
C4' | C3' | sing | 1.55Å | 1.55Å | |
C4' | H4' | sing | 1.09Å | 1.12Å | |
O4' | C1' | sing | 1.44Å | 1.45Å | |
C3' | O3' | sing | 1.43Å | 1.40Å | |
C3' | C2' | sing | 1.55Å | 1.52Å | |
C3' | H3' | sing | 1.09Å | 1.12Å | |
O3' | HA | sing | 0.97Å | 0.95Å | |
C2' | C1' | sing | 1.54Å | 1.49Å | |
C2' | H2'1 | sing | 1.09Å | 1.12Å | |
C2' | H2'2 | sing | 1.09Å | 1.11Å | |
C1' | N9 | sing | 1.46Å | 1.43Å | |
C1' | H1' | sing | 1.09Å | 1.12Å | |
N9 | C8 | sing | 1.35Å | 1.40Å | |
N9 | C4 | sing | 1.38Å | 1.35Å | |
C8 | N7 | sing | 1.35Å | 1.34Å | |
C8 | O8 | doub | 1.22Å | 1.24Å | |
N7 | C5 | sing | 1.40Å | 1.38Å | |
N7 | H7 | sing | 0.97Å | 1.02Å | |
C5 | C6 | sing | 1.40Å | 1.44Å | |
C5 | C4 | doub | 1.39Å | 1.36Å | |
C6 | O6 | doub | 1.22Å | 1.22Å | |
C6 | N1 | sing | 1.35Å | 1.37Å | |
N1 | C2 | sing | 1.36Å | 1.34Å | |
N1 | H1 | sing | 0.97Å | 1.02Å | |
C2 | N2 | sing | 1.37Å | 1.29Å | |
C2 | N3 | doub | 1.31Å | 1.34Å | |
N2 | H2N1 | sing | 0.97Å | 1.02Å | |
N2 | H2N2 | sing | 0.97Å | 1.02Å | |
N3 | C4 | sing | 1.34Å | 1.36Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
P | O3P | H3P | 122.3° | 106.8° |
O3P | P | O1P | 122.3° | 109.5° |
O3P | P | O2P | 111.4° | 109.5° |
O3P | P | O5' | 109.7° | 109.5° |
O1P | P | O2P | 99.2° | 109.5° |
O1P | P | O5' | 109.1° | 109.5° |
O2P | P | O5' | 103.2° | 109.5° |
P | O2P | H2P | 111.4° | 106.8° |
P | O5' | C5' | 124.5° | 106.8° |
O5' | C5' | C4' | 111.0° | 109.5° |
O5' | C5' | H5'1 | 111.6° | 109.5° |
O5' | C5' | H5'2 | 111.7° | 109.5° |
C4' | C5' | H5'1 | 111.6° | 109.5° |
C4' | C5' | H5'2 | 111.6° | 109.4° |
C5' | C4' | O4' | 117.2° | 110.8° |
C5' | C4' | C3' | 109.7° | 110.7° |
C5' | C4' | H4' | 108.1° | 110.5° |
H5'1 | C5' | H5'2 | 98.8° | 109.5° |
O4' | C4' | C3' | 105.4° | 103.6° |
O4' | C4' | H4' | 108.1° | 110.5° |
C4' | O4' | C1' | 108.2° | 106.9° |
C3' | C4' | H4' | 108.1° | 110.6° |
C4' | C3' | O3' | 111.1° | 111.0° |
C4' | C3' | C2' | 108.6° | 102.1° |
C4' | C3' | H3' | 111.9° | 110.8° |
O4' | C1' | C2' | 112.6° | 107.4° |
O4' | C1' | N9 | 124.1° | 109.9° |
O4' | C1' | H1' | 119.0° | 109.9° |
O3' | C3' | C2' | 101.0° | 111.0° |
O3' | C3' | H3' | 111.9° | 110.8° |
C3' | O3' | HA | 111.1° | 106.9° |
C2' | C3' | H3' | 111.9° | 110.9° |
C3' | C2' | C1' | 103.1° | 104.2° |
C3' | C2' | H2'1 | 114.6° | 110.5° |
C3' | C2' | H2'2 | 114.6° | 110.5° |
C1' | C2' | H2'1 | 114.6° | 110.6° |
C1' | C2' | H2'2 | 114.6° | 110.5° |
C2' | C1' | N9 | 123.3° | 109.9° |
C2' | C1' | H1' | 126.3° | 109.8° |
H2'1 | C2' | H2'2 | 95.9° | 110.4° |
N9 | C1' | H1' | 15.4° | 109.9° |
C1' | N9 | C8 | 127.7° | 125.6° |
C1' | N9 | C4 | 123.5° | 125.7° |
C8 | N9 | C4 | 108.8° | 108.7° |
N9 | C8 | N7 | 109.5° | 109.5° |
N9 | C8 | O8 | 123.4° | 125.3° |
N9 | C4 | C5 | 105.1° | 107.0° |
N9 | C4 | N3 | 128.8° | 133.4° |
N7 | C8 | O8 | 124.6° | 125.3° |
C8 | N7 | C5 | 104.2° | 107.9° |
C8 | N7 | H7 | 127.9° | 126.1° |
C5 | N7 | H7 | 127.9° | 126.0° |
N7 | C5 | C6 | 129.3° | 134.0° |
N7 | C5 | C4 | 112.3° | 106.9° |
C6 | C5 | C4 | 118.1° | 119.1° |
C5 | C6 | O6 | 127.9° | 120.8° |
C5 | C6 | N1 | 114.7° | 118.5° |
C5 | C4 | N3 | 125.8° | 119.6° |
O6 | C6 | N1 | 117.3° | 120.7° |
C6 | N1 | C2 | 123.1° | 120.1° |
C6 | N1 | H1 | 118.5° | 120.0° |
C2 | N1 | H1 | 118.5° | 119.9° |
N1 | C2 | N2 | 113.9° | 119.1° |
N1 | C2 | N3 | 124.0° | 121.7° |
N2 | C2 | N3 | 122.1° | 119.2° |
C2 | N2 | H2N1 | 113.9° | 120.0° |
C2 | N2 | H2N2 | 122.1° | 120.0° |
C2 | N3 | C4 | 114.3° | 121.1° |
H2N1 | N2 | H2N2 | 124.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3P | P | O1P | O2P | 122.6° | 120.0° |
O3P | P | O1P | O5' | 129.8° | 120.0° |
O3P | P | O2P | O5' | 117.6° | 120.0° |
O3P | P | O2P | H2P | 180.0° | 59.9° |
O3P | P | O5' | C5' | 171.5° | 180.0° |
H3P | O3P | P | O1P | 180.0° | 59.9° |
H3P | O3P | P | O2P | 63.2° | 60.0° |
H3P | O3P | P | O5' | 50.4° | 180.0° |
O1P | P | O2P | O5' | 112.3° | 120.0° |
O1P | P | O2P | H2P | 49.9° | 180.0° |
O1P | P | O5' | C5' | 35.1° | 60.0° |
O2P | P | O5' | C5' | 69.7° | 60.0° |
O5' | P | O2P | H2P | 62.4° | 60.1° |
P | O5' | C5' | C4' | 171.6° | 180.0° |
P | O5' | C5' | H5'1 | 46.3° | 60.0° |
P | O5' | C5' | H5'2 | 63.1° | 60.0° |
O5' | C5' | C4' | H5'1 | 125.2° | 120.0° |
O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
O5' | C5' | H5'1 | H5'2 | 117.6° | 120.0° |
O5' | C5' | C4' | O4' | 76.7° | 65.7° |
O5' | C5' | C4' | C3' | 43.3° | 179.9° |
O5' | C5' | C4' | H4' | 161.0° | 57.2° |
C4' | C5' | H5'1 | H5'2 | 117.5° | 119.9° |
C5' | C4' | O4' | C3' | 122.3° | 118.7° |
C5' | C4' | O4' | H4' | 122.3° | 122.8° |
C5' | C4' | C3' | H4' | 117.6° | 122.7° |
C5' | C4' | O4' | C1' | 108.4° | 158.6° |
C5' | C4' | C3' | O3' | 136.6° | 86.0° |
C5' | C4' | C3' | C2' | 113.3° | 155.7° |
C5' | C4' | C3' | H3' | 10.7° | 37.6° |
H5'1 | C5' | C4' | O4' | 48.5° | 174.3° |
H5'1 | C5' | C4' | C3' | 168.6° | 59.9° |
H5'1 | C5' | C4' | H4' | 73.8° | 62.9° |
H5'2 | C5' | C4' | O4' | 158.0° | 54.3° |
H5'2 | C5' | C4' | C3' | 81.9° | 60.1° |
H5'2 | C5' | C4' | H4' | 35.7° | 177.1° |
O4' | C4' | C3' | H4' | 115.4° | 118.5° |
O4' | C4' | C3' | O3' | 96.5° | 155.2° |
O4' | C4' | C3' | C2' | 13.7° | 36.9° |
O4' | C4' | C3' | H3' | 137.7° | 81.2° |
C4' | O4' | C1' | C2' | 9.5° | 26.3° |
C4' | O4' | C1' | N9 | 168.7° | 145.8° |
C4' | O4' | C1' | H1' | 174.2° | 93.1° |
C3' | C4' | O4' | C1' | 13.8° | 39.8° |
C4' | C3' | O3' | C2' | 115.0° | 112.8° |
C4' | C3' | O3' | H3' | 125.8° | 123.6° |
C4' | C3' | C2' | H3' | 124.0° | 118.1° |
C4' | C3' | O3' | HA | 180.0° | 174.2° |
C4' | C3' | C2' | C1' | 8.0° | 20.8° |
C4' | C3' | C2' | H2'1 | 133.2° | 97.9° |
C4' | C3' | C2' | H2'2 | 117.3° | 139.6° |
H4' | C4' | O4' | C1' | 129.2° | 78.6° |
H4' | C4' | C3' | O3' | 19.0° | 36.7° |
H4' | C4' | C3' | C2' | 129.1° | 81.6° |
H4' | C4' | C3' | H3' | 106.9° | 160.3° |
O4' | C1' | C2' | C3' | 0.6° | 2.0° |
O4' | C1' | C2' | N9 | 178.2° | 119.5° |
O4' | C1' | C2' | H1' | 163.3° | 119.5° |
O4' | C1' | C2' | H2'1 | 124.6° | 120.7° |
O4' | C1' | C2' | H2'2 | 125.9° | 116.8° |
O4' | C1' | N9 | H1' | 75.4° | 121.0° |
O4' | C1' | N9 | C8 | 122.6° | 58.3° |
O4' | C1' | N9 | C4 | 55.3° | 121.7° |
O3' | C3' | C2' | H3' | 119.1° | 123.6° |
O3' | C3' | C2' | C1' | 108.9° | 139.2° |
O3' | C3' | C2' | H2'1 | 16.4° | 20.4° |
O3' | C3' | C2' | H2'2 | 125.9° | 102.1° |
C2' | C3' | O3' | HA | 65.0° | 61.4° |
C3' | C2' | C1' | H2'1 | 125.2° | 118.7° |
C3' | C2' | C1' | H2'2 | 125.3° | 118.7° |
C3' | C2' | H2'1 | H2'2 | 120.5° | 122.6° |
C3' | C2' | C1' | N9 | 177.6° | 121.5° |
C3' | C2' | C1' | H1' | 164.0° | 117.5° |
H3' | C3' | O3' | HA | 54.1° | 62.2° |
H3' | C3' | C2' | C1' | 132.0° | 97.2° |
H3' | C3' | C2' | H2'1 | 102.8° | 144.0° |
H3' | C3' | C2' | H2'2 | 6.7° | 21.5° |
C1' | C2' | H2'1 | H2'2 | 120.5° | 122.6° |
C2' | C1' | N9 | H1' | 106.5° | 121.0° |
C2' | C1' | N9 | C8 | 55.4° | 59.7° |
C2' | C1' | N9 | C4 | 126.7° | 120.3° |
H2'1 | C2' | C1' | N9 | 57.2° | 119.8° |
H2'1 | C2' | C1' | H1' | 38.7° | 1.2° |
H2'2 | C2' | C1' | N9 | 52.4° | 2.7° |
H2'2 | C2' | C1' | H1' | 70.8° | 123.7° |
C1' | N9 | C8 | C4 | 178.1° | 180.0° |
C1' | N9 | C8 | N7 | 177.9° | 180.0° |
C1' | N9 | C8 | O8 | 19.5° | 0.0° |
C1' | N9 | C4 | C5 | 178.0° | 180.0° |
C1' | N9 | C4 | N3 | 3.7° | 0.1° |
H1' | C1' | N9 | C8 | 162.0° | 179.3° |
H1' | C1' | N9 | C4 | 20.2° | 0.6° |
N9 | C8 | N7 | O8 | 162.4° | 179.9° |
N9 | C8 | N7 | C5 | 0.1° | 0.0° |
N9 | C8 | N7 | H7 | 179.9° | 180.0° |
C8 | N9 | C4 | C5 | 0.2° | 0.0° |
C8 | N9 | C4 | N3 | 174.4° | 179.9° |
C4 | N9 | C8 | N7 | 0.2° | 0.0° |
C4 | N9 | C8 | O8 | 162.4° | 179.9° |
N9 | C4 | C5 | N7 | 0.1° | 0.0° |
N9 | C4 | C5 | C6 | 174.3° | 180.0° |
N9 | C4 | C5 | N3 | 174.5° | 179.9° |
N9 | C4 | N3 | C2 | 173.4° | 179.9° |
C8 | N7 | C5 | H7 | 180.0° | 179.9° |
C8 | N7 | C5 | C6 | 173.6° | 180.0° |
C8 | N7 | C5 | C4 | 0.0° | 0.0° |
O8 | C8 | N7 | C5 | 162.2° | 180.0° |
O8 | C8 | N7 | H7 | 17.8° | 0.1° |
N7 | C5 | C6 | C4 | 173.3° | 180.0° |
N7 | C5 | C6 | O6 | 3.9° | 0.0° |
N7 | C5 | C6 | N1 | 173.9° | 179.7° |
N7 | C5 | C4 | N3 | 174.6° | 180.0° |
H7 | N7 | C5 | C6 | 6.4° | 0.0° |
H7 | N7 | C5 | C4 | 180.0° | 180.0° |
C5 | C6 | O6 | N1 | 177.7° | 179.7° |
C5 | C6 | N1 | C2 | 0.5° | 0.5° |
C5 | C6 | N1 | H1 | 179.5° | 180.0° |
C6 | C5 | C4 | N3 | 0.2° | 0.0° |
C4 | C5 | C6 | O6 | 177.2° | 180.0° |
C4 | C5 | C6 | N1 | 0.5° | 0.3° |
C5 | C4 | N3 | C2 | 0.3° | 0.0° |
O6 | C6 | N1 | C2 | 177.5° | 179.7° |
O6 | C6 | N1 | H1 | 2.5° | 0.2° |
C6 | N1 | C2 | H1 | 180.0° | 179.5° |
C6 | N1 | C2 | N2 | 179.5° | 179.7° |
C6 | N1 | C2 | N3 | 0.1° | 0.5° |
N1 | C2 | N2 | N3 | 179.6° | 179.8° |
N1 | C2 | N2 | H2N1 | 180.0° | 179.8° |
N1 | C2 | N2 | H2N2 | 0.4° | 0.6° |
N1 | C2 | N3 | C4 | 0.3° | 0.2° |
H1 | N1 | C2 | N2 | 0.4° | 0.2° |
H1 | N1 | C2 | N3 | 180.0° | 180.0° |
C2 | N2 | H2N1 | H2N2 | 179.6° | 179.6° |
N2 | C2 | N3 | C4 | 179.9° | 180.0° |
N3 | C2 | N2 | H2N1 | 0.4° | 0.0° |
N3 | C2 | N2 | H2N2 | 180.0° | 179.6° |