XIL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C1 | O5 | sing | 1.43Å | 1.44Å | |
C1 | O1 | sing | 1.43Å | 1.45Å | |
C1 | H1 | sing | 1.09Å | 1.12Å | |
C2 | O2 | sing | 1.43Å | 1.42Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | H2 | sing | 1.09Å | 1.11Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C3 | H3 | sing | 1.09Å | 1.12Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | O4 | sing | 1.43Å | 1.42Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C4 | H4 | sing | 1.09Å | 1.11Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | O5 | sing | 1.43Å | 1.45Å | |
C5 | H51 | sing | 1.09Å | 1.12Å | |
C5 | H52 | sing | 1.09Å | 1.11Å | |
N1' | C2' | sing | 1.33Å | 1.42Å | |
N1' | C6' | sing | 1.46Å | 1.45Å | |
N1' | HN' | sing | 0.97Å | 1.02Å | |
C2' | C3' | sing | 1.50Å | 1.42Å | |
C2' | O2' | doub | 1.21Å | 1.22Å | |
C3' | O3' | sing | 1.43Å | 1.41Å | |
C3' | C4' | sing | 1.53Å | 1.57Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
O3' | HO' | sing | 0.97Å | 0.95Å | |
C4' | O1 | sing | 1.43Å | 1.42Å | |
C4' | C5' | sing | 1.53Å | 1.53Å | |
C4' | H4' | sing | 1.09Å | 1.12Å | |
C5' | C6' | sing | 1.53Å | 1.50Å | |
C5' | H5'1 | sing | 1.09Å | 1.11Å | |
C5' | H5'2 | sing | 1.09Å | 1.12Å | |
C6' | H6'1 | sing | 1.09Å | 1.12Å | |
C6' | H6'2 | sing | 1.09Å | 1.12Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O5 | 110.3° | 109.8° |
C2 | C1 | O1 | 109.3° | 109.3° |
C2 | C1 | H1 | 108.7° | 109.4° |
C1 | C2 | O2 | 109.2° | 109.5° |
C1 | C2 | C3 | 110.8° | 109.1° |
C1 | C2 | H2 | 108.8° | 109.5° |
O5 | C1 | O1 | 108.7° | 109.4° |
O5 | C1 | H1 | 109.4° | 109.5° |
C1 | O5 | C5 | 112.4° | 107.6° |
O1 | C1 | H1 | 110.4° | 109.4° |
C1 | O1 | C4' | 110.7° | 106.8° |
O2 | C2 | C3 | 109.4° | 109.7° |
O2 | C2 | H2 | 110.2° | 109.6° |
C2 | O2 | HO2 | 109.2° | 106.9° |
C3 | C2 | H2 | 108.5° | 109.4° |
C2 | C3 | O3 | 109.8° | 109.7° |
C2 | C3 | C4 | 110.9° | 108.6° |
C2 | C3 | H3 | 108.3° | 109.6° |
O3 | C3 | C4 | 109.4° | 109.9° |
O3 | C3 | H3 | 109.8° | 109.6° |
C3 | O3 | HO3 | 109.8° | 106.8° |
C4 | C3 | H3 | 108.7° | 109.5° |
C3 | C4 | O4 | 109.3° | 109.5° |
C3 | C4 | C5 | 110.3° | 109.1° |
C3 | C4 | H4 | 109.1° | 109.5° |
O4 | C4 | C5 | 109.6° | 109.6° |
O4 | C4 | H4 | 109.8° | 109.5° |
C4 | O4 | HO4 | 109.3° | 106.7° |
C5 | C4 | H4 | 108.7° | 109.6° |
C4 | C5 | O5 | 110.1° | 109.8° |
C4 | C5 | H51 | 111.9° | 109.4° |
C4 | C5 | H52 | 112.0° | 109.4° |
O5 | C5 | H51 | 112.0° | 109.4° |
O5 | C5 | H52 | 112.0° | 109.4° |
H51 | C5 | H52 | 98.4° | 109.3° |
C2' | N1' | C6' | 121.0° | 124.1° |
C2' | N1' | HN' | 118.6° | 117.9° |
N1' | C2' | C3' | 119.3° | 123.5° |
N1' | C2' | O2' | 119.2° | 118.3° |
C6' | N1' | HN' | 120.3° | 118.0° |
N1' | C6' | C5' | 110.5° | 110.5° |
N1' | C6' | H6'1 | 111.9° | 109.2° |
N1' | C6' | H6'2 | 111.8° | 109.3° |
C3' | C2' | O2' | 119.5° | 118.2° |
C2' | C3' | O3' | 118.8° | 109.4° |
C2' | C3' | C4' | 116.8° | 109.9° |
C2' | C3' | H3' | 95.9° | 109.3° |
O3' | C3' | C4' | 110.8° | 109.4° |
O3' | C3' | H3' | 104.4° | 109.4° |
C3' | O3' | HO' | 118.8° | 106.8° |
C4' | C3' | H3' | 107.3° | 109.4° |
C3' | C4' | O1 | 108.4° | 109.8° |
C3' | C4' | C5' | 109.7° | 108.4° |
C3' | C4' | H4' | 111.1° | 109.7° |
O1 | C4' | C5' | 112.2° | 109.6° |
O1 | C4' | H4' | 108.4° | 109.6° |
C5' | C4' | H4' | 107.1° | 109.6° |
C4' | C5' | C6' | 106.9° | 108.7° |
C4' | C5' | H5'1 | 113.2° | 109.6° |
C4' | C5' | H5'2 | 113.2° | 109.6° |
C6' | C5' | H5'1 | 113.2° | 109.6° |
C6' | C5' | H5'2 | 113.1° | 109.6° |
C5' | C6' | H6'1 | 111.8° | 109.4° |
C5' | C6' | H6'2 | 111.8° | 109.3° |
H5'1 | C5' | H5'2 | 97.3° | 109.7° |
H6'1 | C6' | H6'2 | 98.6° | 109.2° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O5 | O1 | 119.9° | 120.0° |
C2 | C1 | O5 | H1 | 119.5° | 120.1° |
C2 | C1 | O1 | H1 | 119.6° | 119.7° |
C1 | C2 | O2 | C3 | 121.4° | 119.7° |
C1 | C2 | O2 | H2 | 119.4° | 120.2° |
C1 | C2 | C3 | H2 | 119.3° | 119.8° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
C1 | C2 | C3 | O3 | 172.3° | 173.6° |
C1 | C2 | C3 | C4 | 51.3° | 53.5° |
C1 | C2 | C3 | H3 | 67.9° | 66.0° |
C2 | C1 | O5 | C5 | 61.4° | 67.5° |
C2 | C1 | O1 | C4' | 173.5° | 168.0° |
O5 | C1 | O1 | H1 | 119.9° | 120.0° |
O5 | C1 | C2 | O2 | 175.6° | 178.8° |
O5 | C1 | C2 | C3 | 55.1° | 61.2° |
O5 | C1 | C2 | H2 | 64.1° | 58.6° |
C1 | O5 | C5 | C4 | 62.2° | 67.6° |
C1 | O5 | C5 | H51 | 63.1° | 52.5° |
C1 | O5 | C5 | H52 | 172.5° | 172.3° |
O5 | C1 | O1 | C4' | 66.0° | 71.7° |
O1 | C1 | C2 | O2 | 64.9° | 58.7° |
O1 | C1 | C2 | C3 | 174.6° | 178.8° |
O1 | C1 | C2 | H2 | 55.4° | 61.5° |
O1 | C1 | O5 | C5 | 178.7° | 172.5° |
C1 | O1 | C4' | C3' | 154.5° | 151.2° |
C1 | O1 | C4' | C5' | 84.2° | 89.8° |
C1 | O1 | C4' | H4' | 33.9° | 30.6° |
H1 | C1 | C2 | O2 | 55.7° | 61.1° |
H1 | C1 | C2 | C3 | 64.8° | 58.9° |
H1 | C1 | C2 | H2 | 176.0° | 178.7° |
H1 | C1 | O5 | C5 | 58.2° | 52.5° |
H1 | C1 | O1 | C4' | 53.9° | 48.2° |
O2 | C2 | C3 | H2 | 120.2° | 120.2° |
O2 | C2 | C3 | O3 | 67.3° | 66.4° |
O2 | C2 | C3 | C4 | 171.7° | 173.5° |
O2 | C2 | C3 | H3 | 52.6° | 54.0° |
C3 | C2 | O2 | HO2 | 58.6° | 179.7° |
C2 | C3 | O3 | C4 | 121.9° | 119.3° |
C2 | C3 | O3 | H3 | 118.9° | 120.3° |
C2 | C3 | C4 | H3 | 118.9° | 119.6° |
C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
C2 | C3 | C4 | O4 | 172.5° | 173.5° |
C2 | C3 | C4 | C5 | 51.9° | 53.5° |
C2 | C3 | C4 | H4 | 67.5° | 66.4° |
H2 | C2 | O2 | HO2 | 60.6° | 60.2° |
H2 | C2 | C3 | O3 | 52.9° | 53.8° |
H2 | C2 | C3 | C4 | 68.1° | 66.3° |
H2 | C2 | C3 | H3 | 172.8° | 174.2° |
O3 | C3 | C4 | H3 | 119.9° | 120.4° |
O3 | C3 | C4 | O4 | 66.3° | 66.6° |
O3 | C3 | C4 | C5 | 173.1° | 173.5° |
O3 | C3 | C4 | H4 | 53.8° | 53.6° |
C4 | C3 | O3 | HO3 | 58.1° | 60.7° |
C3 | C4 | O4 | C5 | 121.0° | 119.6° |
C3 | C4 | O4 | H4 | 119.6° | 120.1° |
C3 | C4 | C5 | H4 | 119.6° | 119.9° |
C3 | C4 | O4 | HO4 | 180.0° | 179.8° |
C3 | C4 | C5 | O5 | 56.5° | 61.2° |
C3 | C4 | C5 | H51 | 68.8° | 58.9° |
C3 | C4 | C5 | H52 | 178.2° | 178.6° |
H3 | C3 | O3 | HO3 | 61.0° | 59.7° |
H3 | C3 | C4 | O4 | 53.6° | 53.8° |
H3 | C3 | C4 | C5 | 67.0° | 66.1° |
H3 | C3 | C4 | H4 | 173.6° | 174.0° |
O4 | C4 | C5 | H4 | 120.0° | 120.2° |
O4 | C4 | C5 | O5 | 176.8° | 178.9° |
O4 | C4 | C5 | H51 | 51.6° | 61.0° |
O4 | C4 | C5 | H52 | 57.8° | 58.8° |
C5 | C4 | O4 | HO4 | 58.9° | 60.1° |
C4 | C5 | O5 | H51 | 125.2° | 120.1° |
C4 | C5 | O5 | H52 | 125.3° | 120.2° |
C4 | C5 | H51 | H52 | 117.8° | 119.8° |
H4 | C4 | O4 | HO4 | 60.4° | 60.1° |
H4 | C4 | C5 | O5 | 63.1° | 58.7° |
H4 | C4 | C5 | H51 | 171.6° | 178.8° |
H4 | C4 | C5 | H52 | 62.2° | 61.5° |
O5 | C5 | H51 | H52 | 117.9° | 119.8° |
C2' | N1' | C6' | HN' | 180.0° | 179.9° |
N1' | C2' | C3' | O2' | 163.7° | 179.9° |
N1' | C2' | C3' | O3' | 154.8° | 137.6° |
N1' | C2' | C3' | C4' | 17.7° | 17.5° |
N1' | C2' | C3' | H3' | 95.1° | 102.6° |
C2' | N1' | C6' | C5' | 42.2° | 19.0° |
C2' | N1' | C6' | H6'1 | 83.1° | 139.3° |
C2' | N1' | C6' | H6'2 | 167.4° | 101.3° |
C6' | N1' | C2' | C3' | 19.5° | 2.1° |
C6' | N1' | C2' | O2' | 176.8° | 177.8° |
N1' | C6' | C5' | C4' | 61.5° | 50.7° |
N1' | C6' | C5' | H6'1 | 125.3° | 120.3° |
N1' | C6' | C5' | H6'2 | 125.3° | 120.3° |
N1' | C6' | C5' | H5'1 | 63.8° | 69.0° |
N1' | C6' | C5' | H5'2 | 173.2° | 170.5° |
N1' | C6' | H6'1 | H6'2 | 117.7° | 119.5° |
HN' | N1' | C2' | C3' | 160.5° | 177.8° |
HN' | N1' | C2' | O2' | 3.2° | 2.3° |
HN' | N1' | C6' | C5' | 137.8° | 160.9° |
HN' | N1' | C6' | H6'1 | 96.9° | 40.5° |
HN' | N1' | C6' | H6'2 | 12.5° | 78.9° |
C2' | C3' | O3' | C4' | 139.5° | 120.5° |
C2' | C3' | O3' | H3' | 105.3° | 119.7° |
C2' | C3' | C4' | H3' | 106.2° | 120.1° |
C2' | C3' | O3' | HO' | 179.9° | 60.0° |
C2' | C3' | C4' | O1 | 161.8° | 168.5° |
C2' | C3' | C4' | C5' | 39.0° | 48.8° |
C2' | C3' | C4' | H4' | 79.2° | 70.9° |
O2' | C2' | C3' | O3' | 41.5° | 42.2° |
O2' | C2' | C3' | C4' | 178.7° | 162.4° |
O2' | C2' | C3' | H3' | 68.5° | 77.5° |
O3' | C3' | C4' | H3' | 113.5° | 119.8° |
O3' | C3' | C4' | O1 | 57.9° | 71.3° |
O3' | C3' | C4' | C5' | 179.3° | 169.0° |
O3' | C3' | C4' | H4' | 61.1° | 49.2° |
C4' | C3' | O3' | HO' | 40.5° | 179.5° |
C3' | C4' | O1 | C5' | 121.2° | 119.0° |
C3' | C4' | O1 | H4' | 120.7° | 120.6° |
C3' | C4' | C5' | H4' | 120.6° | 119.8° |
C3' | C4' | C5' | C6' | 59.8° | 67.5° |
C3' | C4' | C5' | H5'1 | 65.5° | 52.2° |
C3' | C4' | C5' | H5'2 | 174.9° | 172.7° |
H3' | C3' | O3' | HO' | 74.8° | 59.8° |
H3' | C3' | C4' | O1 | 55.6° | 48.5° |
H3' | C3' | C4' | C5' | 67.2° | 71.2° |
H3' | C3' | C4' | H4' | 174.6° | 169.0° |
O1 | C4' | C5' | H4' | 118.9° | 120.4° |
O1 | C4' | C5' | C6' | 179.7° | 172.7° |
O1 | C4' | C5' | H5'1 | 55.0° | 67.6° |
O1 | C4' | C5' | H5'2 | 54.4° | 52.9° |
C4' | C5' | C6' | H5'1 | 125.3° | 119.7° |
C4' | C5' | C6' | H5'2 | 125.3° | 119.8° |
C4' | C5' | H5'1 | H5'2 | 119.1° | 120.4° |
C4' | C5' | C6' | H6'1 | 63.8° | 171.0° |
C4' | C5' | C6' | H6'2 | 173.2° | 69.6° |
H4' | C4' | C5' | C6' | 60.8° | 52.3° |
H4' | C4' | C5' | H5'1 | 173.9° | 172.0° |
H4' | C4' | C5' | H5'2 | 64.5° | 67.5° |
C6' | C5' | H5'1 | H5'2 | 119.0° | 120.4° |
C5' | C6' | H6'1 | H6'2 | 117.7° | 119.5° |
H5'1 | C5' | C6' | H6'1 | 170.9° | 51.2° |
H5'1 | C5' | C6' | H6'2 | 61.5° | 170.7° |
H5'2 | C5' | C6' | H6'1 | 61.5° | 69.2° |
H5'2 | C5' | C6' | H6'2 | 47.9° | 50.2° |