Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3P | P | sing | 1.61Å | 1.49Å | |
O3P | H3P | sing | 0.97Å | 0.95Å | |
P | O1P | doub | 1.48Å | 1.49Å | |
P | O2P | sing | 1.61Å | 1.61Å | |
P | O5' | sing | 1.61Å | 1.59Å | |
O2P | H2P | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.42Å | |
C5' | C4' | sing | 1.53Å | 1.51Å | |
C5' | H5'1 | sing | 1.09Å | 1.11Å | |
C5' | H5'2 | sing | 1.09Å | 1.11Å | |
C4' | O4' | sing | 1.45Å | 1.46Å | |
C4' | C3' | sing | 1.55Å | 1.53Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
O4' | C1' | sing | 1.44Å | 1.42Å | |
C3' | O3' | sing | 1.43Å | 1.42Å | |
C3' | C2' | sing | 1.55Å | 1.52Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
O3' | HA | sing | 0.97Å | 0.95Å | |
C2' | C1' | sing | 1.54Å | 1.51Å | |
C2' | H2'1 | sing | 1.09Å | 1.12Å | |
C2' | H2'2 | sing | 1.09Å | 1.11Å | |
C1' | N1 | sing | 1.47Å | 1.48Å | |
C1' | H1' | sing | 1.09Å | 1.12Å | |
N1 | C2 | sing | 1.35Å | 1.40Å | |
N1 | C6 | sing | 1.36Å | 1.37Å | |
C2 | O2 | doub | 1.22Å | 1.24Å | |
C2 | N3 | sing | 1.33Å | 1.35Å | |
N3 | C4 | doub | 1.33Å | 1.33Å | |
C4 | N4 | sing | 1.38Å | 1.33Å | |
C4 | C5 | sing | 1.41Å | 1.42Å | |
N4 | H4N1 | sing | 0.97Å | 1.02Å | |
N4 | H4N2 | sing | 0.97Å | 1.02Å | |
C5 | C6 | doub | 1.35Å | 1.34Å | |
C5 | BR | sing | 1.89Å | 1.86Å | |
C6 | H6 | sing | 1.08Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
P | O3P | H3P | 119.8° | 106.8° |
O3P | P | O1P | 119.7° | 109.5° |
O3P | P | O2P | 109.1° | 109.4° |
O3P | P | O5' | 107.4° | 109.5° |
O1P | P | O2P | 108.7° | 109.6° |
O1P | P | O5' | 108.1° | 109.5° |
O2P | P | O5' | 102.4° | 109.5° |
P | O2P | H2P | 109.0° | 106.8° |
P | O5' | C5' | 120.5° | 106.8° |
O5' | C5' | C4' | 110.0° | 109.5° |
O5' | C5' | H5'1 | 112.0° | 109.4° |
O5' | C5' | H5'2 | 112.0° | 109.5° |
C4' | C5' | H5'1 | 112.0° | 109.5° |
C4' | C5' | H5'2 | 112.0° | 109.4° |
C5' | C4' | O4' | 112.2° | 110.8° |
C5' | C4' | C3' | 113.1° | 110.6° |
C5' | C4' | H4' | 108.4° | 110.6° |
H5'1 | C5' | H5'2 | 98.4° | 109.5° |
O4' | C4' | C3' | 106.1° | 103.6° |
O4' | C4' | H4' | 108.4° | 110.5° |
C4' | O4' | C1' | 107.1° | 106.9° |
C3' | C4' | H4' | 108.5° | 110.5° |
C4' | C3' | O3' | 110.3° | 111.0° |
C4' | C3' | C2' | 103.3° | 102.1° |
C4' | C3' | H3' | 111.5° | 110.9° |
O4' | C1' | C2' | 104.2° | 107.5° |
O4' | C1' | N1 | 110.1° | 109.9° |
O4' | C1' | H1' | 108.7° | 109.9° |
O3' | C3' | C2' | 108.6° | 110.9° |
O3' | C3' | H3' | 111.4° | 110.8° |
C3' | O3' | HA | 110.3° | 106.9° |
C2' | C3' | H3' | 111.4° | 110.8° |
C3' | C2' | C1' | 100.1° | 104.1° |
C3' | C2' | H2'1 | 115.8° | 110.4° |
C3' | C2' | H2'2 | 115.8° | 110.5° |
C1' | C2' | H2'1 | 115.8° | 110.5° |
C1' | C2' | H2'2 | 115.8° | 110.6° |
C2' | C1' | N1 | 116.2° | 109.8° |
C2' | C1' | H1' | 108.7° | 109.9° |
H2'1 | C2' | H2'2 | 94.6° | 110.5° |
N1 | C1' | H1' | 108.7° | 109.8° |
C1' | N1 | C2 | 118.2° | 119.9° |
C1' | N1 | C6 | 121.7° | 119.8° |
C2 | N1 | C6 | 120.0° | 120.3° |
N1 | C2 | O2 | 118.9° | 119.4° |
N1 | C2 | N3 | 119.5° | 121.2° |
N1 | C6 | C5 | 120.8° | 119.3° |
N1 | C6 | H6 | 119.6° | 120.4° |
O2 | C2 | N3 | 121.6° | 119.5° |
C2 | N3 | C4 | 119.8° | 120.7° |
N3 | C4 | N4 | 118.5° | 120.2° |
N3 | C4 | C5 | 122.0° | 119.6° |
N4 | C4 | C5 | 119.6° | 120.2° |
C4 | N4 | H4N1 | 118.5° | 120.0° |
C4 | N4 | H4N2 | 119.6° | 120.0° |
C4 | C5 | C6 | 117.9° | 119.0° |
C4 | C5 | BR | 118.5° | 120.5° |
H4N1 | N4 | H4N2 | 122.0° | 120.1° |
C6 | C5 | BR | 123.7° | 120.5° |
C5 | C6 | H6 | 119.6° | 120.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3P | P | O1P | O2P | 126.2° | 120.0° |
O3P | P | O1P | O5' | 123.4° | 120.0° |
O3P | P | O2P | O5' | 113.6° | 119.9° |
O3P | P | O2P | H2P | 180.0° | 60.0° |
O3P | P | O5' | C5' | 145.3° | 180.0° |
H3P | O3P | P | O1P | 180.0° | 60.0° |
H3P | O3P | P | O2P | 54.0° | 60.1° |
H3P | O3P | P | O5' | 56.3° | 180.0° |
O1P | P | O2P | O5' | 114.2° | 120.1° |
O1P | P | O2P | H2P | 47.8° | 180.0° |
O1P | P | O5' | C5' | 84.1° | 60.0° |
O2P | P | O5' | C5' | 30.6° | 60.1° |
O5' | P | O2P | H2P | 66.4° | 60.0° |
P | O5' | C5' | C4' | 134.4° | 180.0° |
P | O5' | C5' | H5'1 | 9.2° | 60.0° |
P | O5' | C5' | H5'2 | 100.3° | 60.0° |
O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
O5' | C5' | H5'1 | H5'2 | 118.0° | 120.0° |
O5' | C5' | C4' | O4' | 84.1° | 65.7° |
O5' | C5' | C4' | C3' | 35.9° | 179.9° |
O5' | C5' | C4' | H4' | 156.2° | 57.2° |
C4' | C5' | H5'1 | H5'2 | 117.9° | 120.0° |
C5' | C4' | O4' | C3' | 123.9° | 118.7° |
C5' | C4' | O4' | H4' | 119.7° | 122.9° |
C5' | C4' | C3' | H4' | 120.3° | 122.8° |
C5' | C4' | O4' | C1' | 137.3° | 158.5° |
C5' | C4' | C3' | O3' | 135.1° | 86.0° |
C5' | C4' | C3' | C2' | 109.0° | 155.7° |
C5' | C4' | C3' | H3' | 10.7° | 37.6° |
H5'1 | C5' | C4' | O4' | 41.2° | 174.3° |
H5'1 | C5' | C4' | C3' | 161.2° | 60.0° |
H5'1 | C5' | C4' | H4' | 78.5° | 62.8° |
H5'2 | C5' | C4' | O4' | 150.6° | 54.2° |
H5'2 | C5' | C4' | C3' | 89.4° | 60.1° |
H5'2 | C5' | C4' | H4' | 30.9° | 177.1° |
O4' | C4' | C3' | H4' | 116.4° | 118.4° |
O4' | C4' | C3' | O3' | 101.6° | 155.2° |
O4' | C4' | C3' | C2' | 14.4° | 36.9° |
O4' | C4' | C3' | H3' | 134.1° | 81.2° |
C4' | O4' | C1' | C2' | 36.3° | 26.4° |
C4' | O4' | C1' | N1 | 161.6° | 145.8° |
C4' | O4' | C1' | H1' | 79.4° | 93.2° |
C3' | C4' | O4' | C1' | 13.4° | 39.8° |
C4' | C3' | O3' | C2' | 112.5° | 112.8° |
C4' | C3' | O3' | H3' | 124.4° | 123.7° |
C4' | C3' | C2' | H3' | 119.7° | 118.1° |
C4' | C3' | O3' | HA | 180.0° | 174.2° |
C4' | C3' | C2' | C1' | 34.4° | 20.8° |
C4' | C3' | C2' | H2'1 | 159.7° | 97.8° |
C4' | C3' | C2' | H2'2 | 90.8° | 139.5° |
H4' | C4' | O4' | C1' | 103.0° | 78.6° |
H4' | C4' | C3' | O3' | 14.8° | 36.7° |
H4' | C4' | C3' | C2' | 130.7° | 81.6° |
H4' | C4' | C3' | H3' | 109.5° | 160.3° |
O4' | C1' | C2' | C3' | 44.0° | 2.1° |
O4' | C1' | C2' | N1 | 121.3° | 119.5° |
O4' | C1' | C2' | H1' | 115.7° | 119.6° |
O4' | C1' | C2' | H2'1 | 169.3° | 120.6° |
O4' | C1' | C2' | H2'2 | 81.3° | 116.7° |
O4' | C1' | N1 | H1' | 118.9° | 121.1° |
O4' | C1' | N1 | C2 | 105.9° | 58.2° |
O4' | C1' | N1 | C6 | 76.1° | 121.7° |
O3' | C3' | C2' | H3' | 123.1° | 123.5° |
O3' | C3' | C2' | C1' | 82.7° | 139.1° |
O3' | C3' | C2' | H2'1 | 42.6° | 20.5° |
O3' | C3' | C2' | H2'2 | 152.0° | 102.1° |
C2' | C3' | O3' | HA | 67.5° | 61.3° |
C3' | C2' | C1' | H2'1 | 125.3° | 118.6° |
C3' | C2' | C1' | H2'2 | 125.3° | 118.7° |
C3' | C2' | H2'1 | H2'2 | 121.6° | 122.6° |
C3' | C2' | C1' | N1 | 165.3° | 121.5° |
C3' | C2' | C1' | H1' | 71.8° | 117.5° |
H3' | C3' | O3' | HA | 55.6° | 62.2° |
H3' | C3' | C2' | C1' | 154.2° | 97.4° |
H3' | C3' | C2' | H2'1 | 80.6° | 144.0° |
H3' | C3' | C2' | H2'2 | 28.9° | 21.4° |
C1' | C2' | H2'1 | H2'2 | 121.6° | 122.7° |
C2' | C1' | N1 | H1' | 122.9° | 120.9° |
C2' | C1' | N1 | C2 | 136.0° | 59.8° |
C2' | C1' | N1 | C6 | 42.0° | 120.3° |
H2'1 | C2' | C1' | N1 | 69.4° | 119.9° |
H2'1 | C2' | C1' | H1' | 53.5° | 1.0° |
H2'2 | C2' | C1' | N1 | 40.0° | 2.8° |
H2'2 | C2' | C1' | H1' | 162.9° | 123.7° |
C1' | N1 | C2 | C6 | 178.0° | 179.9° |
C1' | N1 | C2 | O2 | 4.4° | 0.0° |
C1' | N1 | C2 | N3 | 175.6° | 179.9° |
C1' | N1 | C6 | C5 | 175.3° | 179.8° |
C1' | N1 | C6 | H6 | 4.7° | 0.1° |
H1' | C1' | N1 | C2 | 13.0° | 179.3° |
H1' | C1' | N1 | C6 | 165.0° | 0.6° |
N1 | C2 | O2 | N3 | 180.0° | 179.9° |
N1 | C2 | N3 | C4 | 0.5° | 0.1° |
C2 | N1 | C6 | C5 | 2.6° | 0.2° |
C2 | N1 | C6 | H6 | 177.4° | 180.0° |
C6 | N1 | C2 | O2 | 177.5° | 179.9° |
C6 | N1 | C2 | N3 | 2.5° | 0.1° |
N1 | C6 | C5 | C4 | 0.9° | 0.4° |
N1 | C6 | C5 | H6 | 180.0° | 179.9° |
N1 | C6 | C5 | BR | 178.9° | 180.0° |
O2 | C2 | N3 | C4 | 179.4° | 180.0° |
C2 | N3 | C4 | N4 | 178.5° | 180.0° |
C2 | N3 | C4 | C5 | 1.2° | 0.2° |
N3 | C4 | N4 | C5 | 179.7° | 179.7° |
N3 | C4 | N4 | H4N1 | 180.0° | 0.1° |
N3 | C4 | N4 | H4N2 | 0.3° | 179.8° |
N3 | C4 | C5 | C6 | 1.1° | 0.5° |
N3 | C4 | C5 | BR | 179.2° | 180.0° |
C4 | N4 | H4N1 | H4N2 | 179.7° | 179.8° |
N4 | C4 | C5 | C6 | 178.6° | 179.8° |
N4 | C4 | C5 | BR | 1.2° | 0.2° |
C5 | C4 | N4 | H4N1 | 0.3° | 179.7° |
C5 | C4 | N4 | H4N2 | 180.0° | 0.5° |
C4 | C5 | C6 | BR | 179.8° | 179.5° |
C4 | C5 | C6 | H6 | 179.1° | 179.7° |
BR | C5 | C6 | H6 | 1.1° | 0.1° |