UF2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3' | C3' | sing | 1.43Å | 1.44Å | |
C4' | C3' | sing | 1.55Å | 1.53Å | |
C4' | C5' | sing | 1.53Å | 1.51Å | |
C4' | O4' | sing | 1.44Å | 1.44Å | |
C3' | C2' | sing | 1.54Å | 1.52Å | |
C5' | O5' | sing | 1.43Å | 1.44Å | |
O4' | C1' | sing | 1.44Å | 1.42Å | |
C2' | C1' | sing | 1.54Å | 1.52Å | |
C2' | F2' | sing | 1.40Å | 1.36Å | |
C1' | N1 | sing | 1.47Å | 1.47Å | |
O5' | P | sing | 1.61Å | 1.60Å | |
O1P | P | doub | 1.48Å | 1.49Å | |
O2 | C2 | doub | 1.22Å | 1.22Å | |
N1 | C2 | sing | 1.35Å | 1.38Å | |
N1 | C6 | sing | 1.37Å | 1.38Å | |
P | O2P | sing | 1.61Å | 1.48Å | |
C2 | N3 | sing | 1.35Å | 1.37Å | |
C6 | C5 | doub | 1.35Å | 1.34Å | |
N3 | C4 | sing | 1.35Å | 1.38Å | |
C5 | C4 | sing | 1.42Å | 1.43Å | |
C4 | O4 | doub | 1.22Å | 1.23Å | |
P | O1 | sing | 1.61Å | 1.60Å | |
C5' | H1 | sing | 1.09Å | 1.10Å | |
C5' | H2 | sing | 1.09Å | 1.10Å | |
C4' | H3 | sing | 1.09Å | 1.10Å | |
C3' | H4 | sing | 1.09Å | 1.10Å | |
O3' | H5 | sing | 0.97Å | 0.95Å | |
C2' | H6 | sing | 1.09Å | 1.10Å | |
C1' | H7 | sing | 1.09Å | 1.10Å | |
C6 | H8 | sing | 1.08Å | 1.08Å | |
C5 | H9 | sing | 1.08Å | 1.08Å | |
N3 | H10 | sing | 0.97Å | 1.00Å | |
O2P | H11 | sing | 0.97Å | 0.95Å | |
O1 | H12 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3' | C3' | C4' | 109.5° | 110.5° |
O3' | C3' | C2' | 112.4° | 110.5° |
O3' | C3' | H4 | 106.2° | 110.6° |
C3' | O3' | H5 | 109.5° | 114.0° |
C3' | C4' | C5' | 114.0° | 110.4° |
C3' | C4' | O4' | 106.4° | 104.8° |
C4' | C3' | C2' | 105.4° | 104.1° |
C3' | C4' | H3 | 108.1° | 110.3° |
C4' | C3' | H4 | 113.1° | 110.5° |
C5' | C4' | O4' | 108.1° | 110.4° |
C4' | C5' | O5' | 109.4° | 109.5° |
C4' | C5' | H1 | 109.5° | 109.5° |
C4' | C5' | H2 | 109.5° | 109.4° |
C5' | C4' | H3 | 106.4° | 110.4° |
C4' | O4' | C1' | 111.4° | 105.3° |
O4' | C4' | H3 | 114.1° | 110.5° |
C3' | C2' | C1' | 106.4° | 104.1° |
C3' | C2' | F2' | 110.4° | 110.6° |
C2' | C3' | H4 | 110.3° | 110.5° |
C3' | C2' | H6 | 110.5° | 110.5° |
C5' | O5' | P | 122.7° | 123.0° |
O5' | C5' | H1 | 109.5° | 109.5° |
O5' | C5' | H2 | 109.5° | 109.4° |
O4' | C1' | C2' | 107.1° | 104.8° |
O4' | C1' | N1 | 107.6° | 110.4° |
O4' | C1' | H7 | 114.8° | 110.4° |
C1' | C2' | F2' | 108.1° | 110.5° |
C2' | C1' | N1 | 116.2° | 110.3° |
C1' | C2' | H6 | 112.7° | 110.5° |
C2' | C1' | H7 | 105.9° | 110.4° |
F2' | C2' | H6 | 108.8° | 110.6° |
C1' | N1 | C2 | 118.5° | 119.7° |
C1' | N1 | C6 | 120.5° | 119.7° |
N1 | C1' | H7 | 105.5° | 110.3° |
O5' | P | O1P | 108.2° | 109.5° |
O5' | P | O2P | 110.8° | 109.5° |
O5' | P | O1 | 101.6° | 109.5° |
O1P | P | O2P | 119.3° | 109.4° |
O1P | P | O1 | 111.8° | 109.5° |
O2 | C2 | N1 | 122.9° | 119.5° |
O2 | C2 | N3 | 122.1° | 119.5° |
C2 | N1 | C6 | 120.9° | 120.6° |
N1 | C2 | N3 | 115.0° | 120.9° |
N1 | C6 | C5 | 122.8° | 119.7° |
N1 | C6 | H8 | 118.6° | 120.2° |
O2P | P | O1 | 103.8° | 109.5° |
P | O2P | H11 | 109.5° | 114.0° |
C2 | N3 | C4 | 127.0° | 120.3° |
C2 | N3 | H10 | 116.5° | 119.8° |
C6 | C5 | C4 | 119.7° | 119.1° |
C5 | C6 | H8 | 118.6° | 120.1° |
C6 | C5 | H9 | 120.2° | 120.4° |
N3 | C4 | C5 | 114.7° | 119.4° |
N3 | C4 | O4 | 119.4° | 120.3° |
C4 | N3 | H10 | 116.5° | 119.9° |
C5 | C4 | O4 | 125.9° | 120.3° |
C4 | C5 | H9 | 120.2° | 120.5° |
P | O1 | H12 | 109.5° | 114.0° |
H1 | C5' | H2 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3' | C3' | C4' | C2' | 121.1° | 118.7° |
O3' | C3' | C4' | H4 | 118.3° | 122.7° |
O3' | C3' | C4' | C5' | 107.1° | 98.5° |
O3' | C3' | C4' | O4' | 133.9° | 142.6° |
O3' | C3' | C2' | H4 | 118.3° | 122.7° |
O3' | C3' | C2' | C1' | 122.0° | 118.6° |
O3' | C3' | C2' | F2' | 120.9° | 122.7° |
O3' | C3' | C4' | H3 | 11.0° | 23.7° |
O3' | C3' | C2' | H6 | 0.5° | 0.0° |
C3' | C4' | C5' | O4' | 118.1° | 115.4° |
C3' | C4' | C5' | H3 | 119.0° | 122.2° |
C3' | C4' | O4' | H3 | 119.0° | 118.8° |
C4' | C3' | C2' | H4 | 122.4° | 118.6° |
C3' | C4' | C5' | O5' | 57.8° | 175.0° |
C3' | C4' | O4' | C1' | 19.1° | 40.5° |
C4' | C3' | C2' | C1' | 2.8° | 0.0° |
C4' | C3' | C2' | F2' | 119.9° | 118.7° |
C3' | C4' | C5' | H1 | 177.8° | 64.9° |
C3' | C4' | C5' | H2 | 62.2° | 55.0° |
C4' | C3' | O3' | H5 | 180.0° | 179.9° |
C4' | C3' | C2' | H6 | 119.8° | 118.6° |
C5' | C4' | O4' | H3 | 118.1° | 122.3° |
C5' | C4' | C3' | C2' | 131.8° | 142.8° |
C4' | C5' | O5' | H1 | 120.0° | 120.1° |
C4' | C5' | O5' | H2 | 120.0° | 120.0° |
C5' | C4' | O4' | C1' | 141.9° | 159.3° |
C4' | C5' | O5' | P | 152.8° | 180.0° |
C4' | C5' | H1 | H2 | 120.1° | 119.9° |
C5' | C4' | C3' | H4 | 11.2° | 24.2° |
O4' | C4' | C3' | C2' | 12.8° | 23.9° |
O4' | C4' | C5' | O5' | 60.3° | 69.7° |
C4' | O4' | C1' | C2' | 17.3° | 40.5° |
C4' | O4' | C1' | N1 | 142.9° | 159.3° |
O4' | C4' | C5' | H1 | 59.7° | 50.4° |
O4' | C4' | C5' | H2 | 179.7° | 170.4° |
O4' | C4' | C3' | H4 | 107.8° | 94.7° |
C4' | O4' | C1' | H7 | 100.0° | 78.4° |
C3' | C2' | C1' | O4' | 8.3° | 24.0° |
C3' | C2' | C1' | F2' | 118.6° | 118.7° |
C3' | C2' | C1' | H6 | 121.2° | 118.6° |
C3' | C2' | F2' | H6 | 121.4° | 122.7° |
C3' | C2' | C1' | N1 | 128.5° | 142.9° |
C2' | C3' | C4' | H3 | 110.1° | 95.0° |
C2' | C3' | O3' | H5 | 63.2° | 65.4° |
C3' | C2' | C1' | H7 | 114.7° | 94.9° |
C5' | O5' | P | O1P | 36.3° | 54.9° |
C5' | O5' | P | O2P | 168.7° | 65.0° |
C5' | O5' | P | O1 | 81.5° | 175.0° |
O5' | C5' | H1 | H2 | 120.0° | 120.0° |
O5' | C5' | C4' | H3 | 176.8° | 52.7° |
O4' | C1' | C2' | N1 | 120.2° | 118.9° |
O4' | C1' | C2' | H7 | 123.0° | 118.9° |
O4' | C1' | C2' | F2' | 110.3° | 94.7° |
O4' | C1' | N1 | H7 | 123.0° | 122.3° |
O4' | C1' | N1 | C2 | 155.3° | 129.6° |
O4' | C1' | N1 | C6 | 21.8° | 50.6° |
C1' | O4' | C4' | H3 | 100.0° | 78.3° |
O4' | C1' | C2' | H6 | 129.4° | 142.6° |
C1' | C2' | F2' | H6 | 122.7° | 122.7° |
C2' | C1' | N1 | H7 | 117.0° | 122.3° |
C2' | C1' | N1 | C2 | 84.8° | 115.0° |
C2' | C1' | N1 | C6 | 98.2° | 64.8° |
C1' | C2' | C3' | H4 | 119.6° | 118.6° |
F2' | C2' | C1' | N1 | 9.9° | 24.2° |
F2' | C2' | C3' | H4 | 2.6° | 0.1° |
F2' | C2' | C1' | H7 | 126.7° | 146.4° |
C1' | N1 | C2 | O2 | 2.0° | 0.1° |
C1' | N1 | C2 | C6 | 177.1° | 179.8° |
C1' | N1 | C2 | N3 | 177.9° | 179.7° |
C1' | N1 | C6 | C5 | 177.5° | 179.9° |
N1 | C1' | C2' | H6 | 110.3° | 98.6° |
C1' | N1 | C6 | H8 | 2.5° | 0.0° |
O5' | P | O1P | O2P | 127.8° | 120.0° |
O5' | P | O1P | O1 | 111.1° | 120.0° |
O5' | P | O2P | O1 | 108.3° | 120.0° |
P | O5' | C5' | H1 | 32.8° | 59.9° |
P | O5' | C5' | H2 | 87.2° | 60.0° |
O5' | P | O2P | H11 | 126.5° | 60.0° |
O5' | P | O1 | H12 | 115.2° | 180.0° |
O1P | P | O2P | O1 | 125.1° | 119.9° |
O1P | P | O2P | H11 | 0.0° | 180.0° |
O1P | P | O1 | H12 | 0.0° | 60.0° |
O2 | C2 | N1 | N3 | 179.9° | 179.8° |
O2 | C2 | N1 | C6 | 179.0° | 179.7° |
O2 | C2 | N3 | C4 | 178.7° | 179.6° |
O2 | C2 | N3 | H10 | 1.3° | 0.0° |
C2 | N1 | C6 | C5 | 0.5° | 0.3° |
N1 | C2 | N3 | C4 | 1.2° | 0.6° |
C2 | N1 | C1' | H7 | 32.3° | 7.2° |
C2 | N1 | C6 | H8 | 179.5° | 179.8° |
N1 | C2 | N3 | H10 | 178.8° | 179.8° |
C6 | N1 | C2 | N3 | 0.9° | 0.5° |
N1 | C6 | C5 | H8 | 180.0° | 180.0° |
N1 | C6 | C5 | C4 | 0.4° | 0.0° |
C6 | N1 | C1' | H7 | 144.8° | 173.0° |
N1 | C6 | C5 | H9 | 179.6° | 180.0° |
O2P | P | O1 | H12 | 129.8° | 60.0° |
C2 | N3 | C4 | H10 | 180.0° | 179.6° |
C2 | N3 | C4 | C5 | 1.1° | 0.3° |
C2 | N3 | C4 | O4 | 179.3° | 179.7° |
C6 | C5 | C4 | N3 | 0.7° | 0.1° |
C6 | C5 | C4 | H9 | 180.0° | 179.9° |
C6 | C5 | C4 | O4 | 179.9° | 180.0° |
N3 | C4 | C5 | O4 | 179.5° | 179.9° |
N3 | C4 | C5 | H9 | 179.4° | 180.0° |
C4 | C5 | C6 | H8 | 179.6° | 180.0° |
C5 | C4 | N3 | H10 | 178.9° | 180.0° |
O4 | C4 | C5 | H9 | 0.1° | 0.1° |
O4 | C4 | N3 | H10 | 0.7° | 0.1° |
O1 | P | O2P | H11 | 125.2° | 60.1° |
H1 | C5' | C4' | H3 | 63.2° | 172.8° |
H2 | C5' | C4' | H3 | 56.9° | 67.2° |
H3 | C4' | C3' | H4 | 129.3° | 146.4° |
H4 | C3' | O3' | H5 | 57.5° | 57.3° |
H4 | C3' | C2' | H6 | 117.8° | 122.8° |
H6 | C2' | C1' | H7 | 6.4° | 23.7° |
H8 | C6 | C5 | H9 | 0.4° | 0.1° |