CFL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3P | P | sing | 1.61Å | 1.62Å | |
O3P | HO3P | sing | 0.97Å | 0.95Å | |
P | O1P | sing | 1.61Å | 1.48Å | |
P | O2P | doub | 1.48Å | 1.48Å | |
P | O5' | sing | 1.61Å | 1.62Å | |
O1P | HO1P | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.45Å | |
C5' | C4' | sing | 1.53Å | 1.53Å | |
C5' | H5'1 | sing | 1.09Å | 1.10Å | |
C5' | H5'2 | sing | 1.09Å | 1.10Å | |
C4' | O4' | sing | 1.44Å | 1.43Å | |
C4' | C3' | sing | 1.54Å | 1.53Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
O4' | C1' | sing | 1.44Å | 1.43Å | |
C3' | O3' | sing | 1.43Å | 1.44Å | |
C3' | C2' | sing | 1.55Å | 1.50Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C2' | C1' | sing | 1.54Å | 1.53Å | |
C2' | F | sing | 1.40Å | 1.37Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
C1' | N1 | sing | 1.47Å | 1.48Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
N1 | C2 | sing | 1.35Å | 1.39Å | |
N1 | C6 | sing | 1.36Å | 1.37Å | |
C2 | O2 | doub | 1.22Å | 1.23Å | |
C2 | N3 | sing | 1.33Å | 1.36Å | |
N3 | C4 | doub | 1.33Å | 1.34Å | |
C4 | N4 | sing | 1.38Å | 1.33Å | |
C4 | C5 | sing | 1.41Å | 1.42Å | |
N4 | HN41 | sing | 0.97Å | 1.00Å | |
N4 | HN42 | sing | 0.97Å | 1.00Å | |
C5 | C6 | doub | 1.35Å | 1.34Å | |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
P | O3P | HO3P | 109.5° | 106.8° |
O3P | P | O1P | 107.9° | 109.5° |
O3P | P | O2P | 107.8° | 109.4° |
O3P | P | O5' | 103.3° | 109.5° |
O1P | P | O2P | 119.9° | 109.5° |
O1P | P | O5' | 108.5° | 109.5° |
P | O1P | HO1P | 109.5° | 106.8° |
O2P | P | O5' | 108.2° | 109.5° |
P | O5' | C5' | 121.8° | 106.8° |
O5' | C5' | C4' | 111.2° | 109.5° |
O5' | C5' | H5'1 | 108.9° | 109.5° |
O5' | C5' | H5'2 | 108.5° | 109.5° |
C4' | C5' | H5'1 | 108.9° | 109.5° |
C4' | C5' | H5'2 | 108.5° | 109.5° |
C5' | C4' | O4' | 110.2° | 110.4° |
C5' | C4' | C3' | 111.5° | 110.4° |
C5' | C4' | H4' | 106.8° | 110.3° |
H5'1 | C5' | H5'2 | 110.8° | 109.4° |
O4' | C4' | C3' | 107.1° | 104.8° |
O4' | C4' | H4' | 111.3° | 110.4° |
C4' | O4' | C1' | 108.0° | 105.3° |
C3' | C4' | H4' | 110.0° | 110.4° |
C4' | C3' | O3' | 111.3° | 110.5° |
C4' | C3' | C2' | 105.7° | 104.1° |
C4' | C3' | H3' | 111.4° | 110.6° |
O4' | C1' | C2' | 106.9° | 104.9° |
O4' | C1' | N1 | 109.4° | 110.4° |
O4' | C1' | H1' | 111.9° | 110.4° |
O3' | C3' | C2' | 111.2° | 110.5° |
O3' | C3' | H3' | 105.9° | 110.5° |
C3' | O3' | HO3' | 109.5° | 106.8° |
C2' | C3' | H3' | 111.5° | 110.6° |
C3' | C2' | C1' | 105.1° | 104.0° |
C3' | C2' | F | 110.4° | 110.5° |
C3' | C2' | H2' | 112.2° | 110.5° |
C1' | C2' | F | 111.1° | 110.5° |
C1' | C2' | H2' | 111.6° | 110.7° |
C2' | C1' | N1 | 111.6° | 110.4° |
C2' | C1' | H1' | 109.7° | 110.4° |
F | C2' | H2' | 106.5° | 110.5° |
N1 | C1' | H1' | 107.3° | 110.3° |
C1' | N1 | C2 | 118.4° | 119.8° |
C1' | N1 | C6 | 120.5° | 119.9° |
C2 | N1 | C6 | 121.1° | 120.4° |
N1 | C2 | O2 | 120.5° | 119.5° |
N1 | C2 | N3 | 118.1° | 121.1° |
N1 | C6 | C5 | 120.7° | 119.3° |
N1 | C6 | H6 | 119.7° | 120.3° |
O2 | C2 | N3 | 121.4° | 119.4° |
C2 | N3 | C4 | 121.0° | 120.7° |
N3 | C4 | N4 | 119.4° | 120.2° |
N3 | C4 | C5 | 121.2° | 119.6° |
N4 | C4 | C5 | 119.4° | 120.2° |
C4 | N4 | HN41 | 109.4° | 119.9° |
C4 | N4 | HN42 | 125.3° | 120.0° |
C4 | C5 | C6 | 117.9° | 119.0° |
C4 | C5 | H5 | 121.0° | 120.5° |
HN41 | N4 | HN42 | 125.3° | 120.0° |
C6 | C5 | H5 | 121.0° | 120.5° |
C5 | C6 | H6 | 119.7° | 120.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3P | P | O1P | O2P | 123.8° | 119.9° |
O3P | P | O1P | O5' | 111.3° | 120.0° |
O3P | P | O2P | O5' | 111.1° | 120.0° |
O3P | P | O1P | HO1P | 17.1° | 60.0° |
O3P | P | O5' | C5' | 87.5° | 65.0° |
HO3P | O3P | P | O1P | 69.1° | 60.0° |
HO3P | O3P | P | O2P | 160.1° | 180.0° |
HO3P | O3P | P | O5' | 45.7° | 60.0° |
O1P | P | O2P | O5' | 125.0° | 120.1° |
O1P | P | O5' | C5' | 26.9° | 175.0° |
O2P | P | O1P | HO1P | 140.9° | 60.0° |
O2P | P | O5' | C5' | 158.4° | 55.0° |
O5' | P | O1P | HO1P | 94.2° | 180.0° |
P | O5' | C5' | C4' | 178.1° | 180.0° |
P | O5' | C5' | H5'1 | 61.9° | 60.0° |
P | O5' | C5' | H5'2 | 58.8° | 60.0° |
O5' | C5' | C4' | H5'1 | 120.0° | 120.0° |
O5' | C5' | C4' | H5'2 | 119.3° | 120.0° |
O5' | C5' | H5'1 | H5'2 | 119.3° | 120.0° |
O5' | C5' | C4' | O4' | 45.0° | 66.5° |
O5' | C5' | C4' | C3' | 73.8° | 178.1° |
O5' | C5' | C4' | H4' | 166.0° | 55.8° |
C4' | C5' | H5'1 | H5'2 | 119.3° | 120.0° |
C5' | C4' | O4' | C3' | 121.5° | 118.9° |
C5' | C4' | O4' | H4' | 118.3° | 122.2° |
C5' | C4' | C3' | H4' | 118.3° | 122.2° |
C5' | C4' | O4' | C1' | 146.9° | 159.5° |
C5' | C4' | C3' | O3' | 105.3° | 98.4° |
C5' | C4' | C3' | C2' | 134.0° | 143.0° |
C5' | C4' | C3' | H3' | 12.7° | 24.2° |
H5'1 | C5' | C4' | O4' | 165.0° | 173.5° |
H5'1 | C5' | C4' | C3' | 46.2° | 58.1° |
H5'1 | C5' | C4' | H4' | 74.0° | 64.2° |
H5'2 | C5' | C4' | O4' | 74.3° | 53.6° |
H5'2 | C5' | C4' | C3' | 166.9° | 61.9° |
H5'2 | C5' | C4' | H4' | 46.7° | 175.9° |
O4' | C4' | C3' | H4' | 121.0° | 118.9° |
O4' | C4' | C3' | O3' | 134.1° | 142.7° |
O4' | C4' | C3' | C2' | 13.3° | 24.1° |
O4' | C4' | C3' | H3' | 107.9° | 94.7° |
C4' | O4' | C1' | C2' | 27.3° | 40.4° |
C4' | O4' | C1' | N1 | 148.4° | 159.4° |
C4' | O4' | C1' | H1' | 92.8° | 78.5° |
C3' | C4' | O4' | C1' | 25.5° | 40.5° |
C4' | C3' | O3' | C2' | 117.5° | 114.6° |
C4' | C3' | O3' | H3' | 121.2° | 122.7° |
C4' | C3' | C2' | H3' | 121.2° | 118.7° |
C4' | C3' | O3' | HO3' | 148.7° | 180.0° |
C4' | C3' | C2' | C1' | 2.8° | 0.2° |
C4' | C3' | C2' | F | 117.1° | 118.8° |
C4' | C3' | C2' | H2' | 124.3° | 118.6° |
H4' | C4' | O4' | C1' | 94.8° | 78.3° |
H4' | C4' | C3' | O3' | 13.1° | 23.9° |
H4' | C4' | C3' | C2' | 107.7° | 94.8° |
H4' | C4' | C3' | H3' | 131.0° | 146.5° |
O4' | C1' | C2' | C3' | 18.1° | 23.8° |
O4' | C1' | C2' | N1 | 119.6° | 118.9° |
O4' | C1' | C2' | H1' | 121.6° | 118.9° |
O4' | C1' | C2' | F | 101.3° | 94.8° |
O4' | C1' | C2' | H2' | 140.0° | 142.5° |
O4' | C1' | N1 | H1' | 121.6° | 122.2° |
O4' | C1' | N1 | C2 | 136.1° | 52.0° |
O4' | C1' | N1 | C6 | 43.8° | 128.0° |
O3' | C3' | C2' | H3' | 118.0° | 122.6° |
O3' | C3' | C2' | C1' | 118.0° | 118.8° |
O3' | C3' | C2' | F | 122.1° | 122.6° |
O3' | C3' | C2' | H2' | 3.5° | 0.0° |
C2' | C3' | O3' | HO3' | 93.8° | 65.3° |
C3' | C2' | C1' | F | 119.4° | 118.6° |
C3' | C2' | C1' | H2' | 121.9° | 118.7° |
C3' | C2' | F | H2' | 122.1° | 122.6° |
C3' | C2' | C1' | N1 | 137.7° | 142.7° |
C3' | C2' | C1' | H1' | 103.5° | 95.0° |
H3' | C3' | O3' | HO3' | 27.4° | 57.4° |
H3' | C3' | C2' | C1' | 124.0° | 118.6° |
H3' | C3' | C2' | F | 4.1° | 0.1° |
H3' | C3' | C2' | H2' | 114.5° | 122.7° |
C1' | C2' | F | H2' | 121.7° | 122.8° |
C2' | C1' | N1 | H1' | 120.2° | 122.3° |
C2' | C1' | N1 | C2 | 105.7° | 63.5° |
C2' | C1' | N1 | C6 | 74.4° | 116.5° |
F | C2' | C1' | N1 | 18.3° | 24.1° |
F | C2' | C1' | H1' | 137.1° | 146.3° |
H2' | C2' | C1' | N1 | 100.4° | 98.6° |
H2' | C2' | C1' | H1' | 18.4° | 23.6° |
C1' | N1 | C2 | C6 | 179.9° | 180.0° |
C1' | N1 | C2 | O2 | 0.1° | 0.0° |
C1' | N1 | C2 | N3 | 179.8° | 180.0° |
C1' | N1 | C6 | C5 | 180.0° | 179.7° |
C1' | N1 | C6 | H6 | 0.0° | 0.0° |
H1' | C1' | N1 | C2 | 14.5° | 174.3° |
H1' | C1' | N1 | C6 | 165.4° | 5.7° |
N1 | C2 | O2 | N3 | 179.8° | 180.0° |
N1 | C2 | N3 | C4 | 0.1° | 0.0° |
C2 | N1 | C6 | C5 | 0.1° | 0.3° |
C2 | N1 | C6 | H6 | 179.9° | 180.0° |
C6 | N1 | C2 | O2 | 179.9° | 180.0° |
C6 | N1 | C2 | N3 | 0.1° | 0.0° |
N1 | C6 | C5 | C4 | 0.3° | 0.6° |
N1 | C6 | C5 | H6 | 180.0° | 179.7° |
N1 | C6 | C5 | H5 | 179.7° | 180.0° |
O2 | C2 | N3 | C4 | 180.0° | 180.0° |
C2 | N3 | C4 | N4 | 179.5° | 179.9° |
C2 | N3 | C4 | C5 | 0.0° | 0.3° |
N3 | C4 | N4 | C5 | 179.6° | 179.6° |
N3 | C4 | N4 | HN41 | 0.5° | 0.1° |
N3 | C4 | N4 | HN42 | 179.6° | 179.7° |
N3 | C4 | C5 | C6 | 0.2° | 0.6° |
N3 | C4 | C5 | H5 | 179.7° | 180.0° |
C4 | N4 | HN41 | HN42 | 180.0° | 179.7° |
N4 | C4 | C5 | C6 | 179.3° | 179.7° |
N4 | C4 | C5 | H5 | 0.7° | 0.4° |
C5 | C4 | N4 | HN41 | 180.0° | 179.7° |
C5 | C4 | N4 | HN42 | 0.0° | 0.6° |
C4 | C5 | C6 | H5 | 180.0° | 179.4° |
C4 | C5 | C6 | H6 | 179.7° | 179.7° |
H5 | C5 | C6 | H6 | 0.3° | 0.4° |