VDM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O7 | C7 | sing | 1.42Å | 1.43Å | |
O7 | H7 | sing | 0.97Å | 0.95Å | |
C7 | C5 | sing | 1.50Å | 1.50Å | |
C7 | H7C1 | sing | 1.09Å | 1.12Å | |
C7 | H7C2 | sing | 1.09Å | 1.12Å | |
C5 | C6 | doub | 1.35Å | 1.35Å | |
C5 | C4 | sing | 1.51Å | 1.52Å | |
C6 | C1 | sing | 1.50Å | 1.53Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C4 | O4 | sing | 1.43Å | 1.42Å | |
C4 | C3 | sing | 1.54Å | 1.51Å | |
C4 | H4 | sing | 1.10Å | 1.11Å | |
O4 | HA | sing | 0.97Å | 0.95Å | |
C3 | O3 | sing | 1.43Å | 1.43Å | |
C3 | C2 | sing | 1.53Å | 1.53Å | |
C3 | H3 | sing | 1.10Å | 1.12Å | |
O3 | HB | sing | 0.97Å | 0.95Å | |
C2 | O2 | sing | 1.43Å | 1.43Å | |
C2 | C1 | sing | 1.54Å | 1.55Å | |
C2 | H2 | sing | 1.10Å | 1.11Å | |
O2 | HC | sing | 0.97Å | 0.95Å | |
C1 | N1' | sing | 1.47Å | 1.47Å | |
C1 | H1 | sing | 1.10Å | 1.12Å | |
N1' | C1' | sing | 1.47Å | 1.47Å | |
N1' | H1' | sing | 1.02Å | 1.02Å | |
C1' | HD | sing | 1.10Å | 1.11Å | |
C1' | C2' | sing | 1.54Å | 1.53Å | |
C1' | C6' | sing | 1.53Å | 1.55Å | |
C2' | H2' | sing | 1.10Å | 1.11Å | |
C2' | O2' | sing | 1.43Å | 1.43Å | |
C2' | C3' | sing | 1.53Å | 1.53Å | |
O2' | HE | sing | 0.97Å | 0.95Å | |
C6' | H6'1 | sing | 1.10Å | 1.12Å | |
C6' | H6'2 | sing | 1.10Å | 1.11Å | |
C6' | C5' | sing | 1.54Å | 1.53Å | |
C5' | H5' | sing | 1.10Å | 1.11Å | |
C5' | C7' | sing | 1.53Å | 1.53Å | |
C5' | C4' | sing | 1.54Å | 1.54Å | |
C7' | H7'1 | sing | 1.09Å | 1.11Å | |
C7' | H7'2 | sing | 1.09Å | 1.11Å | |
C7' | O7' | sing | 1.41Å | 1.44Å | |
O7' | H7' | sing | 0.97Å | 0.95Å | |
C4' | H4' | sing | 1.10Å | 1.11Å | |
C4' | O4' | sing | 1.43Å | 1.43Å | |
C4' | C3' | sing | 1.53Å | 1.53Å | |
O4' | HF | sing | 0.97Å | 0.95Å | |
C3' | H3' | sing | 1.10Å | 1.11Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
O3' | HG | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C7 | O7 | H7 | 104.3° | 107.2° |
O7 | C7 | C5 | 104.3° | 109.6° |
O7 | C7 | H7C1 | 114.2° | 109.4° |
O7 | C7 | H7C2 | 114.2° | 109.0° |
C5 | C7 | H7C1 | 114.2° | 110.0° |
C5 | C7 | H7C2 | 114.2° | 109.3° |
C7 | C5 | C6 | 118.8° | 120.9° |
C7 | C5 | C4 | 118.0° | 117.1° |
H7C1 | C7 | H7C2 | 96.3° | 109.6° |
C6 | C5 | C4 | 123.1° | 122.1° |
C5 | C6 | C1 | 122.3° | 124.1° |
C5 | C6 | H6 | 112.5° | 119.1° |
C5 | C4 | O4 | 113.2° | 110.3° |
C5 | C4 | C3 | 112.7° | 114.5° |
C5 | C4 | H4 | 103.8° | 108.6° |
C1 | C6 | H6 | 125.1° | 116.7° |
C6 | C1 | C2 | 107.8° | 111.5° |
C6 | C1 | N1' | 109.2° | 109.3° |
C6 | C1 | H1 | 112.3° | 109.1° |
O4 | C4 | C3 | 107.0° | 106.8° |
O4 | C4 | H4 | 109.8° | 106.5° |
C4 | O4 | HA | 113.2° | 106.4° |
C3 | C4 | H4 | 110.4° | 109.9° |
C4 | C3 | O3 | 106.5° | 108.4° |
C4 | C3 | C2 | 109.1° | 111.3° |
C4 | C3 | H3 | 113.1° | 111.6° |
O3 | C3 | C2 | 113.4° | 108.2° |
O3 | C3 | H3 | 108.7° | 106.0° |
C3 | O3 | HB | 106.5° | 106.4° |
C2 | C3 | H3 | 106.2° | 111.1° |
C3 | C2 | O2 | 110.6° | 109.4° |
C3 | C2 | C1 | 108.6° | 111.5° |
C3 | C2 | H2 | 110.9° | 109.5° |
O2 | C2 | C1 | 113.7° | 110.4° |
O2 | C2 | H2 | 105.4° | 106.0° |
C2 | O2 | HC | 113.7° | 106.4° |
C1 | C2 | H2 | 107.6° | 109.8° |
C2 | C1 | N1' | 113.6° | 111.7° |
C2 | C1 | H1 | 107.8° | 108.1° |
N1' | C1 | H1 | 106.4° | 107.1° |
C1 | N1' | C1' | 120.9° | 110.6° |
C1 | N1' | H1' | 108.1° | 109.7° |
C1' | N1' | H1' | 108.1° | 108.6° |
N1' | C1' | HD | 104.5° | 106.9° |
N1' | C1' | C2' | 113.6° | 111.1° |
N1' | C1' | C6' | 113.9° | 110.0° |
HD | C1' | C2' | 105.6° | 109.1° |
HD | C1' | C6' | 105.2° | 109.7° |
C2' | C1' | C6' | 112.9° | 110.0° |
C1' | C2' | H2' | 107.2° | 109.2° |
C1' | C2' | O2' | 111.3° | 110.1° |
C1' | C2' | C3' | 111.9° | 112.8° |
C1' | C6' | H6'1 | 109.8° | 109.9° |
C1' | C6' | H6'2 | 109.8° | 108.8° |
C1' | C6' | C5' | 116.1° | 112.6° |
H2' | C2' | O2' | 107.8° | 106.0° |
H2' | C2' | C3' | 107.1° | 109.4° |
O2' | C2' | C3' | 111.3° | 109.1° |
C2' | O2' | HE | 111.2° | 106.4° |
C2' | C3' | C4' | 108.8° | 111.8° |
C2' | C3' | H3' | 109.1° | 111.4° |
C2' | C3' | O3' | 110.7° | 107.5° |
H6'1 | C6' | H6'2 | 100.4° | 106.3° |
H6'1 | C6' | C5' | 109.8° | 109.6° |
H6'2 | C6' | C5' | 109.8° | 109.4° |
C6' | C5' | H5' | 108.1° | 109.4° |
C6' | C5' | C7' | 110.9° | 110.1° |
C6' | C5' | C4' | 111.6° | 111.3° |
H5' | C5' | C7' | 107.0° | 106.2° |
H5' | C5' | C4' | 106.2° | 108.6° |
C7' | C5' | C4' | 112.6° | 111.1° |
C5' | C7' | H7'1 | 112.0° | 109.5° |
C5' | C7' | H7'2 | 112.0° | 109.6° |
C5' | C7' | O7' | 110.1° | 108.3° |
C5' | C4' | H4' | 109.4° | 110.3° |
C5' | C4' | O4' | 110.8° | 108.3° |
C5' | C4' | C3' | 109.2° | 112.6° |
H7'1 | C7' | H7'2 | 98.4° | 110.1° |
H7'1 | C7' | O7' | 112.0° | 109.6° |
H7'2 | C7' | O7' | 112.0° | 109.6° |
C7' | O7' | H7' | 110.1° | 107.2° |
H4' | C4' | O4' | 107.3° | 106.7° |
H4' | C4' | C3' | 108.9° | 109.8° |
O4' | C4' | C3' | 111.3° | 108.9° |
C4' | O4' | HF | 111.3° | 106.3° |
C4' | C3' | H3' | 110.4° | 111.1° |
C4' | C3' | O3' | 109.5° | 108.8° |
H3' | C3' | O3' | 108.4° | 105.9° |
C3' | O3' | HG | 110.8° | 106.2° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O7 | C7 | C5 | H7C1 | 125.3° | 120.3° |
O7 | C7 | C5 | H7C2 | 125.3° | 119.4° |
O7 | C7 | H7C1 | H7C2 | 120.1° | 119.5° |
O7 | C7 | C5 | C6 | 100.1° | 119.7° |
O7 | C7 | C5 | C4 | 75.7° | 58.9° |
H7 | O7 | C7 | C5 | 180.0° | 71.3° |
H7 | O7 | C7 | H7C1 | 54.7° | 49.4° |
H7 | O7 | C7 | H7C2 | 54.7° | 169.2° |
C5 | C7 | H7C1 | H7C2 | 120.1° | 120.1° |
C7 | C5 | C6 | C4 | 175.6° | 178.6° |
C7 | C5 | C6 | C1 | 179.8° | 177.2° |
C7 | C5 | C6 | H6 | 0.2° | 2.0° |
C7 | C5 | C4 | O4 | 50.1° | 52.4° |
C7 | C5 | C4 | C3 | 171.7° | 172.8° |
C7 | C5 | C4 | H4 | 68.9° | 64.0° |
H7C1 | C7 | C5 | C6 | 25.2° | 120.0° |
H7C1 | C7 | C5 | C4 | 159.0° | 61.4° |
H7C2 | C7 | C5 | C6 | 134.7° | 0.3° |
H7C2 | C7 | C5 | C4 | 49.5° | 178.3° |
C5 | C6 | C1 | H6 | 180.0° | 179.2° |
C6 | C5 | C4 | O4 | 134.4° | 129.0° |
C6 | C5 | C4 | C3 | 12.7° | 8.5° |
C6 | C5 | C4 | H4 | 106.7° | 114.7° |
C5 | C6 | C1 | C2 | 26.6° | 18.2° |
C5 | C6 | C1 | N1' | 97.2° | 105.8° |
C5 | C6 | C1 | H1 | 145.1° | 137.5° |
C4 | C5 | C6 | C1 | 4.3° | 1.4° |
C4 | C5 | C6 | H6 | 175.7° | 179.4° |
C5 | C4 | O4 | C3 | 124.8° | 124.9° |
C5 | C4 | O4 | H4 | 115.4° | 117.7° |
C5 | C4 | C3 | H4 | 115.5° | 122.5° |
C5 | C4 | O4 | HA | 180.0° | 64.7° |
C5 | C4 | C3 | O3 | 166.5° | 156.7° |
C5 | C4 | C3 | C2 | 43.7° | 37.7° |
C5 | C4 | C3 | H3 | 74.2° | 87.0° |
C6 | C1 | C2 | C3 | 57.4° | 47.3° |
C6 | C1 | C2 | O2 | 179.1° | 169.2° |
C6 | C1 | C2 | N1' | 121.1° | 122.6° |
C6 | C1 | C2 | H1 | 121.4° | 119.9° |
C6 | C1 | C2 | H2 | 62.7° | 74.3° |
C6 | C1 | N1' | H1 | 121.3° | 118.0° |
C6 | C1 | N1' | C1' | 34.6° | 60.2° |
C6 | C1 | N1' | H1' | 90.6° | 180.0° |
H6 | C6 | C1 | C2 | 153.4° | 161.0° |
H6 | C6 | C1 | N1' | 82.8° | 75.0° |
H6 | C6 | C1 | H1 | 34.9° | 41.8° |
O4 | C4 | C3 | H4 | 119.4° | 115.1° |
O4 | C4 | C3 | O3 | 68.5° | 80.9° |
O4 | C4 | C3 | C2 | 168.8° | 160.1° |
O4 | C4 | C3 | H3 | 50.9° | 35.4° |
C3 | C4 | O4 | HA | 55.2° | 60.3° |
C4 | C3 | O3 | C2 | 119.9° | 120.9° |
C4 | C3 | O3 | H3 | 122.2° | 119.9° |
C4 | C3 | C2 | H3 | 122.2° | 124.9° |
C4 | C3 | O3 | HB | 180.0° | 131.5° |
C4 | C3 | C2 | O2 | 166.2° | 179.8° |
C4 | C3 | C2 | C1 | 68.3° | 57.8° |
C4 | C3 | C2 | H2 | 49.7° | 64.0° |
H4 | C4 | O4 | HA | 64.6° | 177.7° |
H4 | C4 | C3 | O3 | 51.0° | 34.2° |
H4 | C4 | C3 | C2 | 71.8° | 84.8° |
H4 | C4 | C3 | H3 | 170.3° | 150.5° |
O3 | C3 | C2 | H3 | 119.4° | 116.0° |
O3 | C3 | C2 | O2 | 47.8° | 60.7° |
O3 | C3 | C2 | C1 | 173.2° | 176.9° |
O3 | C3 | C2 | H2 | 68.8° | 55.1° |
C2 | C3 | O3 | HB | 60.1° | 107.6° |
C3 | C2 | O2 | C1 | 122.5° | 123.1° |
C3 | C2 | O2 | H2 | 119.9° | 118.0° |
C3 | C2 | C1 | H2 | 120.1° | 121.6° |
C3 | C2 | O2 | HC | 57.5° | 86.2° |
C3 | C2 | C1 | N1' | 63.7° | 75.3° |
C3 | C2 | C1 | H1 | 178.7° | 167.2° |
H3 | C3 | O3 | HB | 57.8° | 11.6° |
H3 | C3 | C2 | O2 | 71.6° | 55.3° |
H3 | C3 | C2 | C1 | 53.9° | 67.1° |
H3 | C3 | C2 | H2 | 171.8° | 171.1° |
O2 | C2 | C1 | H2 | 116.3° | 116.5° |
O2 | C2 | C1 | N1' | 59.9° | 46.6° |
O2 | C2 | C1 | H1 | 57.7° | 71.0° |
C1 | C2 | O2 | HC | 180.0° | 150.7° |
C2 | C1 | N1' | H1 | 118.4° | 118.1° |
C2 | C1 | N1' | C1' | 154.9° | 176.0° |
C2 | C1 | N1' | H1' | 29.6° | 56.2° |
H2 | C2 | O2 | HC | 62.4° | 31.8° |
H2 | C2 | C1 | N1' | 176.2° | 163.1° |
H2 | C2 | C1 | H1 | 58.6° | 45.6° |
C1 | N1' | C1' | H1' | 125.3° | 120.4° |
C1 | N1' | C1' | HD | 27.6° | 58.6° |
C1 | N1' | C1' | C2' | 142.2° | 177.5° |
C1 | N1' | C1' | C6' | 86.6° | 60.5° |
H1 | C1 | N1' | C1' | 86.7° | 57.8° |
H1 | C1 | N1' | H1' | 148.0° | 61.9° |
N1' | C1' | HD | C2' | 120.1° | 120.2° |
N1' | C1' | HD | C6' | 120.2° | 119.2° |
N1' | C1' | C2' | C6' | 131.7° | 122.0° |
N1' | C1' | C2' | H2' | 159.0° | 171.1° |
N1' | C1' | C2' | O2' | 41.3° | 55.1° |
N1' | C1' | C2' | C3' | 83.9° | 67.1° |
N1' | C1' | C6' | H6'1 | 33.7° | 55.4° |
N1' | C1' | C6' | H6'2 | 143.1° | 171.4° |
N1' | C1' | C6' | C5' | 91.6° | 67.2° |
H1' | N1' | C1' | HD | 97.6° | 179.0° |
H1' | N1' | C1' | C2' | 16.9° | 62.1° |
H1' | N1' | C1' | C6' | 148.1° | 59.9° |
HD | C1' | C2' | C6' | 114.5° | 120.4° |
HD | C1' | C2' | H2' | 45.1° | 53.5° |
HD | C1' | C2' | O2' | 72.6° | 62.5° |
HD | C1' | C2' | C3' | 162.2° | 175.3° |
HD | C1' | C6' | H6'1 | 80.1° | 61.9° |
HD | C1' | C6' | H6'2 | 29.3° | 54.2° |
HD | C1' | C6' | C5' | 154.6° | 175.6° |
C1' | C2' | H2' | O2' | 119.9° | 118.6° |
C1' | C2' | H2' | C3' | 120.2° | 123.9° |
C1' | C2' | O2' | C3' | 125.5° | 124.3° |
C1' | C2' | O2' | HE | 180.0° | 169.6° |
C2' | C1' | C6' | H6'1 | 165.2° | 178.0° |
C2' | C1' | C6' | H6'2 | 85.4° | 65.9° |
C2' | C1' | C6' | C5' | 39.9° | 55.5° |
C1' | C2' | C3' | C4' | 61.1° | 53.4° |
C1' | C2' | C3' | H3' | 59.3° | 71.6° |
C1' | C2' | C3' | O3' | 178.5° | 172.8° |
C6' | C1' | C2' | H2' | 69.4° | 66.9° |
C6' | C1' | C2' | O2' | 173.0° | 177.1° |
C6' | C1' | C2' | C3' | 47.7° | 54.9° |
C1' | C6' | H6'1 | H6'2 | 115.6° | 117.6° |
C1' | C6' | H6'1 | C5' | 128.8° | 124.3° |
C1' | C6' | H6'2 | C5' | 128.8° | 123.4° |
C1' | C6' | C5' | H5' | 72.1° | 65.6° |
C1' | C6' | C5' | C7' | 170.9° | 178.1° |
C1' | C6' | C5' | C4' | 44.4° | 54.4° |
H2' | C2' | O2' | C3' | 117.2° | 117.7° |
H2' | C2' | O2' | HE | 62.8° | 72.3° |
H2' | C2' | C3' | C4' | 56.1° | 68.4° |
H2' | C2' | C3' | H3' | 176.5° | 166.7° |
H2' | C2' | C3' | O3' | 64.3° | 51.0° |
O2' | C2' | C3' | C4' | 173.7° | 176.2° |
O2' | C2' | C3' | H3' | 65.9° | 51.2° |
O2' | C2' | C3' | O3' | 53.3° | 64.5° |
C3' | C2' | O2' | HE | 54.4° | 45.3° |
C2' | C3' | C4' | C5' | 65.1° | 51.5° |
C2' | C3' | C4' | H4' | 54.3° | 71.9° |
C2' | C3' | C4' | O4' | 172.4° | 171.7° |
C2' | C3' | C4' | H3' | 119.6° | 125.1° |
C2' | C3' | C4' | O3' | 121.2° | 118.6° |
C2' | C3' | H3' | O3' | 120.7° | 116.6° |
C2' | C3' | O3' | HG | 180.0° | 28.9° |
H6'1 | C6' | H6'2 | C5' | 115.6° | 118.3° |
H6'1 | C6' | C5' | H5' | 53.2° | 57.1° |
H6'1 | C6' | C5' | C7' | 63.8° | 59.2° |
H6'1 | C6' | C5' | C4' | 169.7° | 177.1° |
H6'2 | C6' | C5' | H5' | 162.7° | 173.3° |
H6'2 | C6' | C5' | C7' | 45.6° | 57.0° |
H6'2 | C6' | C5' | C4' | 80.9° | 66.7° |
C6' | C5' | H5' | C7' | 119.5° | 118.8° |
C6' | C5' | H5' | C4' | 119.9° | 121.6° |
C6' | C5' | C7' | C4' | 126.0° | 123.8° |
C6' | C5' | C7' | H7'1 | 66.2° | 60.0° |
C6' | C5' | C7' | H7'2 | 175.6° | 60.9° |
C6' | C5' | C7' | O7' | 59.1° | 179.5° |
C6' | C5' | C4' | H4' | 62.7° | 71.2° |
C6' | C5' | C4' | O4' | 179.3° | 172.4° |
C6' | C5' | C4' | C3' | 56.4° | 51.9° |
H5' | C5' | C7' | C4' | 116.4° | 117.9° |
H5' | C5' | C7' | H7'1 | 176.2° | 58.3° |
H5' | C5' | C7' | H7'2 | 66.7° | 179.2° |
H5' | C5' | C7' | O7' | 58.6° | 61.2° |
H5' | C5' | C4' | H4' | 179.8° | 168.3° |
H5' | C5' | C4' | O4' | 61.7° | 51.9° |
H5' | C5' | C4' | C3' | 61.2° | 68.6° |
C5' | C7' | H7'1 | H7'2 | 117.9° | 120.6° |
C5' | C7' | H7'1 | O7' | 124.2° | 118.7° |
C5' | C7' | H7'2 | O7' | 124.2° | 118.7° |
C5' | C7' | O7' | H7' | 180.0° | 33.7° |
C7' | C5' | C4' | H4' | 62.9° | 51.9° |
C7' | C5' | C4' | O4' | 55.1° | 64.5° |
C7' | C5' | C4' | C3' | 178.0° | 175.0° |
C4' | C5' | C7' | H7'1 | 59.8° | 176.2° |
C4' | C5' | C7' | H7'2 | 49.7° | 62.9° |
C4' | C5' | C7' | O7' | 174.9° | 56.7° |
C5' | C4' | H4' | O4' | 120.2° | 117.5° |
C5' | C4' | H4' | C3' | 119.3° | 124.7° |
C5' | C4' | O4' | C3' | 121.7° | 122.8° |
C5' | C4' | O4' | HF | 58.3° | 69.7° |
C5' | C4' | C3' | H3' | 54.6° | 73.6° |
C5' | C4' | C3' | O3' | 173.8° | 170.2° |
H7'1 | C7' | H7'2 | O7' | 117.9° | 120.7° |
H7'1 | C7' | O7' | H7' | 54.7° | 85.8° |
H7'2 | C7' | O7' | H7' | 54.8° | 153.2° |
H4' | C4' | O4' | C3' | 119.0° | 118.4° |
H4' | C4' | O4' | HF | 61.0° | 171.6° |
H4' | C4' | C3' | H3' | 174.0° | 163.0° |
H4' | C4' | C3' | O3' | 66.8° | 46.8° |
O4' | C4' | C3' | H3' | 68.0° | 46.6° |
O4' | C4' | C3' | O3' | 51.2° | 69.6° |
C3' | C4' | O4' | HF | 180.0° | 53.1° |
C4' | C3' | H3' | O3' | 119.9° | 118.0° |
C4' | C3' | O3' | HG | 60.1° | 92.4° |
H3' | C3' | O3' | HG | 60.4° | 148.1° |