Obsolete: LBS
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O4 | C4 | sing | 1.43Å | 1.39Å | |
C4 | C3 | sing | 1.55Å | 1.43Å | |
C4 | C5 | sing | 1.55Å | 1.48Å | |
C3 | O3 | sing | 1.43Å | 1.38Å | |
C3 | C2 | sing | 1.54Å | 1.50Å | |
C5 | C6 | sing | 1.53Å | 1.50Å | |
C5 | O5 | sing | 1.44Å | 1.41Å | |
O1 | C1 | sing | 1.43Å | 1.38Å | |
C6 | O6 | sing | 1.43Å | 1.38Å | |
O5 | C2 | sing | 1.44Å | 1.43Å | |
C2 | C1 | sing | 1.53Å | 1.51Å | |
C2 | O2 | sing | 1.43Å | 1.40Å | |
O2 | C6' | sing | 1.43Å | 1.40Å | |
C6' | C5' | sing | 1.53Å | 1.51Å | |
C5' | O5' | sing | 1.44Å | 1.41Å | |
C5' | C4' | sing | 1.55Å | 1.48Å | |
O5' | C2' | sing | 1.44Å | 1.42Å | |
O4' | C4' | sing | 1.43Å | 1.39Å | |
C4' | C3' | sing | 1.55Å | 1.44Å | |
O1' | C1' | sing | 1.43Å | 1.37Å | |
C2' | C3' | sing | 1.54Å | 1.50Å | |
C2' | C1' | sing | 1.53Å | 1.50Å | |
C2' | O2' | sing | 1.43Å | 1.37Å | |
C3' | O3' | sing | 1.43Å | 1.37Å | |
O6 | H1 | sing | 0.97Å | 0.95Å | |
C6 | H2 | sing | 1.09Å | 1.10Å | |
C6 | H3 | sing | 1.09Å | 1.10Å | |
C5 | H4 | sing | 1.09Å | 1.10Å | |
C1 | H5 | sing | 1.09Å | 1.10Å | |
C1 | H6 | sing | 1.09Å | 1.10Å | |
O1 | H7 | sing | 0.97Å | 0.95Å | |
C6' | H8 | sing | 1.09Å | 1.10Å | |
C6' | H9 | sing | 1.09Å | 1.10Å | |
C5' | H10 | sing | 1.09Å | 1.10Å | |
O2' | H11 | sing | 0.97Å | 0.95Å | |
C1' | H12 | sing | 1.09Å | 1.10Å | |
C1' | H13 | sing | 1.09Å | 1.10Å | |
O1' | H14 | sing | 0.97Å | 0.95Å | |
C3' | H15 | sing | 1.09Å | 1.10Å | |
O3' | H16 | sing | 0.97Å | 0.95Å | |
C4' | H17 | sing | 1.09Å | 1.10Å | |
O4' | H18 | sing | 0.97Å | 0.95Å | |
C3 | H19 | sing | 1.09Å | 1.10Å | |
O3 | H20 | sing | 0.97Å | 0.95Å | |
C4 | H21 | sing | 1.09Å | 1.10Å | |
O4 | H22 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O4 | C4 | C3 | 109.2° | 110.9° |
O4 | C4 | C5 | 107.6° | 110.9° |
O4 | C4 | H21 | 113.2° | 110.9° |
C4 | O4 | H22 | 109.5° | 114.0° |
C3 | C4 | C5 | 102.2° | 102.1° |
C4 | C3 | O3 | 113.5° | 110.5° |
C4 | C3 | C2 | 101.1° | 104.2° |
C4 | C3 | H19 | 109.4° | 110.6° |
C3 | C4 | H21 | 112.4° | 111.0° |
C4 | C5 | C6 | 113.5° | 110.6° |
C4 | C5 | O5 | 106.4° | 103.5° |
C4 | C5 | H4 | 107.6° | 110.8° |
C5 | C4 | H21 | 111.6° | 110.9° |
O3 | C3 | C2 | 113.6° | 110.5° |
O3 | C3 | H19 | 110.3° | 110.4° |
C3 | O3 | H20 | 109.5° | 114.0° |
C3 | C2 | O5 | 103.8° | 107.3° |
C3 | C2 | C1 | 110.3° | 109.8° |
C3 | C2 | O2 | 113.6° | 110.0° |
C2 | C3 | H19 | 108.6° | 110.5° |
C6 | C5 | O5 | 113.1° | 110.6° |
C5 | C6 | O6 | 118.2° | 109.5° |
C5 | C6 | H2 | 107.3° | 109.4° |
C5 | C6 | H3 | 107.2° | 109.4° |
C6 | C5 | H4 | 107.4° | 110.6° |
C5 | O5 | C2 | 107.5° | 107.0° |
O5 | C5 | H4 | 108.6° | 110.6° |
O1 | C1 | C2 | 118.3° | 109.4° |
O1 | C1 | H5 | 107.2° | 109.4° |
O1 | C1 | H6 | 107.2° | 109.5° |
C1 | O1 | H7 | 109.5° | 114.0° |
C6 | O6 | H1 | 109.5° | 114.0° |
O6 | C6 | H2 | 107.2° | 109.5° |
O6 | C6 | H3 | 107.2° | 109.5° |
O5 | C2 | C1 | 113.4° | 109.9° |
O5 | C2 | O2 | 107.8° | 109.9° |
C1 | C2 | O2 | 107.9° | 109.9° |
C2 | C1 | H5 | 107.2° | 109.5° |
C2 | C1 | H6 | 107.2° | 109.5° |
C2 | O2 | C6' | 118.2° | 114.0° |
O2 | C6' | C5' | 117.0° | 109.5° |
O2 | C6' | H8 | 107.5° | 109.5° |
O2 | C6' | H9 | 107.6° | 109.5° |
C6' | C5' | O5' | 113.6° | 110.6° |
C6' | C5' | C4' | 117.5° | 110.6° |
C5' | C6' | H8 | 107.6° | 109.4° |
C5' | C6' | H9 | 107.6° | 109.5° |
C6' | C5' | H10 | 106.4° | 110.5° |
O5' | C5' | C4' | 104.6° | 103.5° |
C5' | O5' | C2' | 106.3° | 107.0° |
O5' | C5' | H10 | 107.6° | 110.6° |
C5' | C4' | O4' | 109.5° | 110.9° |
C5' | C4' | C3' | 97.6° | 102.1° |
C4' | C5' | H10 | 106.7° | 110.7° |
C5' | C4' | H17 | 112.4° | 110.9° |
O5' | C2' | C3' | 104.7° | 107.3° |
O5' | C2' | C1' | 110.6° | 109.9° |
O5' | C2' | O2' | 109.1° | 109.9° |
O4' | C4' | C3' | 109.3° | 110.9° |
O4' | C4' | H17 | 113.9° | 110.9° |
C4' | O4' | H18 | 109.5° | 114.0° |
C4' | C3' | C2' | 101.8° | 104.2° |
C4' | C3' | O3' | 112.8° | 110.4° |
C4' | C3' | H15 | 109.4° | 110.6° |
C3' | C4' | H17 | 113.0° | 110.9° |
O1' | C1' | C2' | 116.3° | 109.5° |
O1' | C1' | H12 | 107.8° | 109.4° |
O1' | C1' | H13 | 107.8° | 109.5° |
C1' | O1' | H14 | 109.5° | 114.0° |
C3' | C2' | C1' | 112.7° | 109.9° |
C3' | C2' | O2' | 109.5° | 109.9° |
C2' | C3' | O3' | 113.5° | 110.5° |
C2' | C3' | H15 | 108.6° | 110.5° |
C1' | C2' | O2' | 110.2° | 110.1° |
C2' | C1' | H12 | 107.7° | 109.5° |
C2' | C1' | H13 | 107.7° | 109.5° |
C2' | O2' | H11 | 109.5° | 114.0° |
O3' | C3' | H15 | 110.4° | 110.4° |
C3' | O3' | H16 | 109.5° | 114.0° |
H2 | C6 | H3 | 109.5° | 109.5° |
H5 | C1 | H6 | 109.5° | 109.5° |
H8 | C6' | H9 | 109.5° | 109.4° |
H12 | C1' | H13 | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O4 | C4 | C3 | C5 | 113.8° | 118.1° |
O4 | C4 | C3 | H21 | 126.5° | 123.7° |
O4 | C4 | C5 | H21 | 124.8° | 123.6° |
O4 | C4 | C3 | O3 | 82.0° | 102.3° |
O4 | C4 | C3 | C2 | 156.0° | 139.1° |
O4 | C4 | C5 | C6 | 89.1° | 86.3° |
O4 | C4 | C5 | O5 | 145.8° | 155.2° |
O4 | C4 | C5 | H4 | 29.6° | 36.6° |
O4 | C4 | C3 | H19 | 41.6° | 20.3° |
C3 | C4 | C5 | H21 | 120.3° | 118.2° |
C4 | C3 | O3 | C2 | 114.7° | 114.8° |
C4 | C3 | O3 | H19 | 123.1° | 122.7° |
C4 | C3 | C2 | H19 | 115.0° | 118.9° |
C3 | C4 | C5 | C6 | 156.0° | 155.5° |
C3 | C4 | C5 | O5 | 30.9° | 37.0° |
C4 | C3 | C2 | O5 | 39.6° | 2.0° |
C4 | C3 | C2 | C1 | 161.4° | 117.4° |
C4 | C3 | C2 | O2 | 77.3° | 121.5° |
C3 | C4 | C5 | H4 | 85.3° | 81.5° |
C4 | C3 | O3 | H20 | 180.0° | 65.2° |
C3 | C4 | O4 | H22 | 180.0° | 180.0° |
C5 | C4 | C3 | O3 | 164.2° | 139.6° |
C5 | C4 | C3 | C2 | 42.2° | 20.9° |
C4 | C5 | C6 | O5 | 121.4° | 114.0° |
C4 | C5 | C6 | H4 | 118.8° | 123.1° |
C4 | C5 | O5 | H4 | 115.6° | 118.7° |
C4 | C5 | C6 | O6 | 173.9° | 179.5° |
C4 | C5 | O5 | C2 | 5.7° | 40.1° |
C4 | C5 | C6 | H2 | 52.7° | 60.5° |
C4 | C5 | C6 | H3 | 64.9° | 59.5° |
C5 | C4 | C3 | H19 | 72.2° | 97.9° |
C5 | C4 | O4 | H22 | 69.8° | 67.3° |
O3 | C3 | C2 | H19 | 123.1° | 122.5° |
O3 | C3 | C2 | O5 | 161.5° | 116.7° |
O3 | C3 | C2 | C1 | 76.7° | 123.9° |
O3 | C3 | C2 | O2 | 44.6° | 2.8° |
O3 | C3 | C4 | H21 | 44.4° | 21.4° |
C3 | C2 | O5 | C5 | 20.6° | 26.5° |
C3 | C2 | C1 | O1 | 69.4° | 171.6° |
C3 | C2 | O5 | C1 | 119.8° | 119.4° |
C3 | C2 | O5 | O2 | 120.8° | 119.6° |
C3 | C2 | C1 | O2 | 124.7° | 121.2° |
C3 | C2 | O2 | C6' | 115.6° | 172.0° |
C3 | C2 | C1 | H5 | 51.8° | 68.5° |
C3 | C2 | C1 | H6 | 169.3° | 51.6° |
C2 | C3 | O3 | H20 | 65.2° | 180.0° |
C2 | C3 | C4 | H21 | 77.5° | 97.2° |
C6 | C5 | O5 | H4 | 119.1° | 122.8° |
C5 | C6 | O6 | H2 | 121.3° | 120.0° |
C5 | C6 | O6 | H3 | 121.2° | 120.0° |
C6 | C5 | O5 | C2 | 131.0° | 158.5° |
C5 | C6 | O6 | H1 | 180.0° | 180.0° |
C5 | C6 | H2 | H3 | 116.1° | 120.0° |
C6 | C5 | C4 | H21 | 35.7° | 37.3° |
O5 | C5 | C6 | O6 | 64.7° | 66.5° |
C5 | O5 | C2 | C1 | 140.4° | 92.9° |
C5 | O5 | C2 | O2 | 100.2° | 146.1° |
O5 | C5 | C6 | H2 | 174.0° | 53.5° |
O5 | C5 | C6 | H3 | 56.5° | 173.6° |
O5 | C5 | C4 | H21 | 89.4° | 81.2° |
O1 | C1 | C2 | O5 | 46.6° | 53.8° |
O1 | C1 | C2 | H5 | 121.3° | 119.9° |
O1 | C1 | C2 | H6 | 121.2° | 120.0° |
O1 | C1 | C2 | O2 | 165.9° | 67.2° |
O1 | C1 | H5 | H6 | 116.0° | 120.0° |
O6 | C6 | H2 | H3 | 116.0° | 120.0° |
O6 | C6 | C5 | H4 | 55.1° | 56.4° |
O5 | C2 | C1 | O2 | 119.4° | 121.0° |
O5 | C2 | O2 | C6' | 1.1° | 54.1° |
C2 | O5 | C5 | H4 | 109.8° | 78.6° |
O5 | C2 | C1 | H5 | 167.8° | 173.7° |
O5 | C2 | C1 | H6 | 74.7° | 66.2° |
O5 | C2 | C3 | H19 | 75.5° | 120.8° |
C1 | C2 | O2 | C6' | 121.7° | 66.9° |
C2 | C1 | H5 | H6 | 116.0° | 120.0° |
C2 | C1 | O1 | H7 | 180.0° | 180.0° |
C1 | C2 | C3 | H19 | 46.4° | 1.4° |
C2 | O2 | C6' | C5' | 170.4° | 174.1° |
O2 | C2 | C1 | H5 | 72.8° | 52.7° |
O2 | C2 | C1 | H6 | 44.7° | 172.8° |
C2 | O2 | C6' | H8 | 68.5° | 65.9° |
C2 | O2 | C6' | H9 | 49.3° | 54.1° |
O2 | C2 | C3 | H19 | 167.7° | 119.6° |
O2 | C6' | C5' | H8 | 121.1° | 120.0° |
O2 | C6' | C5' | H9 | 121.1° | 120.0° |
O2 | C6' | C5' | O5' | 27.1° | 66.5° |
O2 | C6' | C5' | C4' | 149.6° | 179.5° |
O2 | C6' | H8 | H9 | 116.6° | 120.0° |
O2 | C6' | C5' | H10 | 91.0° | 56.4° |
C6' | C5' | O5' | C4' | 129.4° | 118.5° |
C6' | C5' | O5' | H10 | 117.5° | 122.8° |
C6' | C5' | C4' | H10 | 119.2° | 122.9° |
C6' | C5' | O5' | C2' | 157.0° | 158.6° |
C6' | C5' | C4' | O4' | 72.5° | 86.3° |
C6' | C5' | C4' | C3' | 173.9° | 155.6° |
C5' | C6' | H8 | H9 | 116.6° | 120.0° |
C6' | C5' | C4' | H17 | 55.2° | 37.4° |
O5' | C5' | C4' | H10 | 113.8° | 118.6° |
O5' | C5' | C4' | O4' | 160.5° | 155.2° |
O5' | C5' | C4' | C3' | 46.9° | 37.0° |
C5' | O5' | C2' | C3' | 2.5° | 26.5° |
C5' | O5' | C2' | C1' | 124.1° | 92.9° |
C5' | O5' | C2' | O2' | 114.6° | 145.9° |
O5' | C5' | C6' | H8 | 93.9° | 53.6° |
O5' | C5' | C6' | H9 | 148.2° | 173.5° |
O5' | C5' | C4' | H17 | 71.8° | 81.1° |
C4' | C5' | O5' | C2' | 27.6° | 40.1° |
C5' | C4' | O4' | C3' | 105.8° | 112.7° |
C5' | C4' | O4' | H17 | 126.8° | 123.7° |
C5' | C4' | C3' | H17 | 118.2° | 118.2° |
C5' | C4' | C3' | C2' | 46.7° | 20.9° |
C5' | C4' | C3' | O3' | 168.7° | 139.6° |
C4' | C5' | C6' | H8 | 28.6° | 60.5° |
C4' | C5' | C6' | H9 | 89.3° | 59.4° |
C5' | C4' | C3' | H15 | 68.1° | 97.9° |
C5' | C4' | O4' | H18 | 180.0° | 180.0° |
O5' | C2' | C3' | C4' | 32.2° | 2.0° |
O5' | C2' | C1' | O1' | 52.1° | 61.5° |
O5' | C2' | C3' | C1' | 120.2° | 119.4° |
O5' | C2' | C3' | O2' | 116.9° | 119.4° |
O5' | C2' | C1' | O2' | 120.7° | 121.1° |
O5' | C2' | C3' | O3' | 153.7° | 116.6° |
C2' | O5' | C5' | H10 | 85.6° | 78.6° |
O5' | C2' | O2' | H11 | 180.0° | 61.5° |
O5' | C2' | C1' | H12 | 173.1° | 178.5° |
O5' | C2' | C1' | H13 | 68.9° | 58.6° |
O5' | C2' | C3' | H15 | 83.1° | 120.8° |
O4' | C4' | C3' | H17 | 128.0° | 123.6° |
O4' | C4' | C3' | C2' | 160.5° | 139.1° |
O4' | C4' | C3' | O3' | 77.5° | 102.3° |
O4' | C4' | C5' | H10 | 46.7° | 36.6° |
O4' | C4' | C3' | H15 | 45.7° | 20.3° |
C4' | C3' | C2' | O3' | 121.5° | 118.6° |
C4' | C3' | C2' | H15 | 115.3° | 118.9° |
C4' | C3' | C2' | C1' | 152.4° | 117.4° |
C4' | C3' | C2' | O2' | 84.7° | 121.4° |
C4' | C3' | O3' | H15 | 122.7° | 122.7° |
C3' | C4' | C5' | H10 | 66.9° | 81.5° |
C4' | C3' | O3' | H16 | 180.0° | 65.3° |
C3' | C4' | O4' | H18 | 74.2° | 67.3° |
O1' | C1' | C2' | C3' | 64.7° | 179.3° |
O1' | C1' | C2' | H12 | 121.0° | 120.0° |
O1' | C1' | C2' | H13 | 121.0° | 120.1° |
O1' | C1' | C2' | O2' | 172.8° | 59.6° |
O1' | C1' | H12 | H13 | 116.9° | 120.0° |
C3' | C2' | C1' | O2' | 122.5° | 121.1° |
C2' | C3' | O3' | H15 | 122.2° | 122.6° |
C3' | C2' | O2' | H11 | 65.9° | 179.3° |
C3' | C2' | C1' | H12 | 56.4° | 60.8° |
C3' | C2' | C1' | H13 | 174.3° | 59.2° |
C2' | C3' | O3' | H16 | 64.9° | 180.0° |
C2' | C3' | C4' | H17 | 71.5° | 97.3° |
C1' | C2' | C3' | O3' | 86.2° | 124.0° |
C1' | C2' | O2' | H11 | 58.5° | 59.6° |
C2' | C1' | H12 | H13 | 116.9° | 120.0° |
C2' | C1' | O1' | H14 | 180.0° | 179.9° |
C1' | C2' | C3' | H15 | 37.1° | 1.5° |
O2' | C2' | C3' | O3' | 36.8° | 2.8° |
O2' | C2' | C1' | H12 | 66.2° | 60.4° |
O2' | C2' | C1' | H13 | 51.8° | 179.7° |
O2' | C2' | C3' | H15 | 160.0° | 119.8° |
O3' | C3' | C4' | H17 | 50.4° | 21.4° |
H1 | O6 | C6 | H2 | 58.8° | 60.0° |
H1 | O6 | C6 | H3 | 58.8° | 60.1° |
H2 | C6 | C5 | H4 | 66.2° | 176.4° |
H3 | C6 | C5 | H4 | 176.3° | 63.6° |
H4 | C5 | C4 | H21 | 154.4° | 160.3° |
H5 | C1 | O1 | H7 | 58.7° | 60.1° |
H6 | C1 | O1 | H7 | 58.8° | 60.0° |
H8 | C6' | C5' | H10 | 147.9° | 176.5° |
H9 | C6' | C5' | H10 | 30.1° | 63.6° |
H10 | C5' | C4' | H17 | 174.4° | 160.3° |
H12 | C1' | O1' | H14 | 59.0° | 60.0° |
H13 | C1' | O1' | H14 | 59.0° | 60.0° |
H15 | C3' | O3' | H16 | 57.3° | 57.4° |
H15 | C3' | C4' | H17 | 173.7° | 143.9° |
H17 | C4' | O4' | H18 | 53.2° | 56.3° |
H19 | C3 | O3 | H20 | 56.9° | 57.5° |
H19 | C3 | C4 | H21 | 168.0° | 144.0° |
H21 | C4 | O4 | H22 | 54.0° | 56.3° |