Obsolete: TSO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C2 | C3 | doub | 1.29Å | 1.34Å | |
C2 | C1 | sing | 1.51Å | 1.52Å | |
C3 | C4 | sing | 1.50Å | 1.52Å | |
C4 | O4 | sing | 1.43Å | 1.44Å | |
C4 | C5 | sing | 1.52Å | 1.54Å | |
C6 | C5 | sing | 1.53Å | 1.53Å | |
C6 | C1 | sing | 1.54Å | 1.52Å | |
C7 | O71 | sing | 1.34Å | 1.25Å | |
C7 | O72 | doub | 1.21Å | 1.25Å | |
C7 | C1 | sing | 1.51Å | 1.51Å | |
C8 | C1' | sing | 1.53Å | 1.53Å | |
C8 | C1 | sing | 1.54Å | 1.53Å | |
C1' | O1' | sing | 1.43Å | 1.46Å | |
C1' | C2' | sing | 1.51Å | 1.52Å | |
O1' | C5 | sing | 1.42Å | 1.45Å | |
C2' | O'L | doub | 1.21Å | 1.24Å | |
C2' | O'M | sing | 1.34Å | 1.25Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HA | sing | 0.97Å | 0.95Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H61C | sing | 1.09Å | 1.10Å | |
C6 | H62C | sing | 1.09Å | 1.10Å | |
O71 | H71 | sing | 0.97Å | 0.95Å | |
C8 | H81C | sing | 1.09Å | 1.10Å | |
C8 | H82C | sing | 1.09Å | 1.10Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
O'M | H'M | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C3 | C2 | C1 | 122.3° | 123.1° |
C2 | C3 | C4 | 123.3° | 124.8° |
C3 | C2 | H2 | 118.8° | 118.5° |
C2 | C3 | H3 | 118.4° | 117.6° |
C2 | C1 | C6 | 107.6° | 108.8° |
C2 | C1 | C7 | 110.5° | 110.8° |
C2 | C1 | C8 | 113.1° | 107.5° |
C1 | C2 | H2 | 118.9° | 118.4° |
C3 | C4 | O4 | 109.8° | 109.1° |
C3 | C4 | C5 | 112.5° | 111.3° |
C4 | C3 | H3 | 118.4° | 117.6° |
C3 | C4 | H4 | 107.5° | 109.1° |
O4 | C4 | C5 | 110.4° | 109.1° |
O4 | C4 | H4 | 109.7° | 109.1° |
C4 | O4 | HA | 109.5° | 114.0° |
C4 | C5 | C6 | 111.5° | 109.4° |
C4 | C5 | O1' | 111.4° | 111.9° |
C5 | C4 | H4 | 106.9° | 109.1° |
C4 | C5 | H5 | 107.2° | 108.4° |
C5 | C6 | C1 | 108.1° | 107.8° |
C6 | C5 | O1' | 110.6° | 110.8° |
C6 | C5 | H5 | 108.0° | 108.3° |
C5 | C6 | H61C | 110.0° | 109.8° |
C5 | C6 | H62C | 110.3° | 109.8° |
C6 | C1 | C7 | 112.4° | 110.8° |
C6 | C1 | C8 | 108.6° | 107.4° |
C1 | C6 | H61C | 109.9° | 109.8° |
C1 | C6 | H62C | 110.3° | 109.8° |
O71 | C7 | O72 | 122.8° | 120.0° |
O71 | C7 | C1 | 117.7° | 120.0° |
C7 | O71 | H71 | 109.5° | 116.9° |
O72 | C7 | C1 | 119.4° | 120.0° |
C7 | C1 | C8 | 104.7° | 111.4° |
C1' | C8 | C1 | 115.0° | 107.6° |
C8 | C1' | O1' | 112.0° | 109.5° |
C8 | C1' | C2' | 109.2° | 109.5° |
C1' | C8 | H81C | 107.7° | 109.8° |
C1' | C8 | H82C | 106.4° | 109.8° |
C8 | C1' | H1' | 109.8° | 109.4° |
C1 | C8 | H81C | 107.7° | 109.9° |
C1 | C8 | H82C | 106.4° | 109.8° |
O1' | C1' | C2' | 114.4° | 109.5° |
C1' | O1' | C5 | 120.3° | 116.0° |
O1' | C1' | H1' | 104.0° | 109.4° |
C1' | C2' | O'L | 119.7° | 120.0° |
C1' | C2' | O'M | 120.0° | 120.0° |
C2' | C1' | H1' | 107.0° | 109.4° |
O1' | C5 | H5 | 108.1° | 108.0° |
O'L | C2' | O'M | 120.3° | 120.0° |
C2' | O'M | H'M | 109.5° | 117.0° |
H61C | C6 | H62C | 108.4° | 109.8° |
H81C | C8 | H82C | 113.9° | 109.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C3 | C2 | C1 | H2 | 180.0° | 179.7° |
C2 | C3 | C4 | H3 | 180.0° | 180.0° |
C2 | C3 | C4 | O4 | 122.6° | 109.4° |
C2 | C3 | C4 | C5 | 0.8° | 11.1° |
C3 | C2 | C1 | C6 | 30.0° | 23.7° |
C3 | C2 | C1 | C7 | 153.1° | 145.7° |
C3 | C2 | C1 | C8 | 89.9° | 92.3° |
C2 | C3 | C4 | H4 | 118.2° | 131.5° |
C1 | C2 | C3 | C4 | 0.5° | 1.2° |
C2 | C1 | C6 | C5 | 60.8° | 55.0° |
C2 | C1 | C6 | C7 | 122.0° | 122.1° |
C2 | C1 | C6 | C8 | 122.7° | 116.0° |
C2 | C1 | C7 | O71 | 41.4° | 60.0° |
C2 | C1 | C7 | O72 | 141.1° | 120.0° |
C2 | C1 | C7 | C8 | 122.0° | 119.6° |
C2 | C1 | C8 | C1' | 66.2° | 54.5° |
C1 | C2 | C3 | H3 | 179.5° | 178.8° |
C2 | C1 | C6 | H61C | 179.2° | 174.6° |
C2 | C1 | C6 | H62C | 59.8° | 64.6° |
C2 | C1 | C8 | H81C | 53.8° | 65.1° |
C2 | C1 | C8 | H82C | 176.2° | 174.0° |
C3 | C4 | O4 | C5 | 124.6° | 121.8° |
C3 | C4 | O4 | H4 | 117.9° | 119.1° |
C3 | C4 | C5 | H4 | 117.7° | 120.4° |
C3 | C4 | C5 | C6 | 33.1° | 43.4° |
C3 | C4 | C5 | O1' | 90.9° | 79.8° |
C4 | C3 | C2 | H2 | 179.5° | 178.6° |
C3 | C4 | O4 | HA | 4.0° | 60.0° |
C3 | C4 | C5 | H5 | 151.1° | 161.3° |
O4 | C4 | C5 | H4 | 119.2° | 119.1° |
O4 | C4 | C5 | C6 | 89.9° | 77.1° |
O4 | C4 | C5 | O1' | 146.0° | 159.8° |
O4 | C4 | C3 | H3 | 57.5° | 70.6° |
O4 | C4 | C5 | H5 | 28.0° | 40.9° |
C4 | C5 | C6 | O1' | 124.5° | 123.8° |
C4 | C5 | C6 | H5 | 117.5° | 118.0° |
C4 | C5 | C6 | C1 | 64.7° | 66.9° |
C4 | C5 | O1' | C1' | 75.1° | 65.7° |
C4 | C5 | O1' | H5 | 117.5° | 119.2° |
C5 | C4 | C3 | H3 | 179.2° | 168.9° |
C5 | C4 | O4 | HA | 128.6° | 178.2° |
C4 | C5 | C6 | H61C | 175.3° | 173.4° |
C4 | C5 | C6 | H62C | 55.9° | 52.6° |
C5 | C6 | C1 | H61C | 120.0° | 119.6° |
C5 | C6 | C1 | H62C | 120.6° | 119.5° |
C5 | C6 | C1 | C7 | 177.3° | 177.0° |
C5 | C6 | C1 | C8 | 61.9° | 61.0° |
C6 | C5 | O1' | C1' | 49.4° | 56.6° |
C6 | C5 | O1' | H5 | 118.0° | 118.5° |
C6 | C5 | C4 | H4 | 150.8° | 163.8° |
C5 | C6 | H61C | H62C | 120.6° | 120.8° |
C6 | C1 | C7 | O71 | 161.7° | 179.1° |
C6 | C1 | C7 | O72 | 20.8° | 0.9° |
C6 | C1 | C7 | C8 | 117.7° | 119.6° |
C6 | C1 | C8 | C1' | 53.1° | 62.4° |
C1 | C6 | C5 | O1' | 59.8° | 56.8° |
C6 | C1 | C2 | H2 | 150.0° | 156.1° |
C1 | C6 | C5 | H5 | 177.8° | 175.1° |
C1 | C6 | H61C | H62C | 120.6° | 120.8° |
C6 | C1 | C8 | H81C | 173.1° | 178.0° |
C6 | C1 | C8 | H82C | 64.4° | 57.1° |
O71 | C7 | O72 | C1 | 177.3° | 180.0° |
O71 | C7 | C1 | C8 | 80.6° | 59.6° |
O72 | C7 | C1 | C8 | 96.8° | 120.4° |
O72 | C7 | O71 | H71 | 0.0° | 0.0° |
C7 | C1 | C8 | C1' | 173.4° | 176.0° |
C7 | C1 | C2 | H2 | 26.9° | 34.0° |
C7 | C1 | C6 | H61C | 57.3° | 63.3° |
C7 | C1 | C6 | H62C | 62.2° | 57.5° |
C1 | C7 | O71 | H71 | 177.4° | 180.0° |
C7 | C1 | C8 | H81C | 66.6° | 56.5° |
C7 | C1 | C8 | H82C | 55.9° | 64.5° |
C1' | C8 | C1 | H81C | 120.0° | 119.6° |
C1' | C8 | C1 | H82C | 117.5° | 119.5° |
C8 | C1' | O1' | C2' | 125.0° | 120.1° |
C8 | C1' | O1' | H1' | 118.5° | 120.0° |
C8 | C1' | C2' | H1' | 118.9° | 119.9° |
C8 | C1' | O1' | C5 | 38.1° | 57.4° |
C8 | C1' | C2' | O'L | 142.1° | 146.8° |
C8 | C1' | C2' | O'M | 37.7° | 33.0° |
C1' | C8 | H81C | H82C | 117.8° | 120.9° |
C1 | C8 | C1' | O1' | 39.2° | 58.8° |
C1 | C8 | C1' | C2' | 88.6° | 61.3° |
C8 | C1 | C2 | H2 | 90.1° | 87.9° |
C8 | C1 | C6 | H61C | 58.1° | 58.6° |
C8 | C1 | C6 | H62C | 177.5° | 179.4° |
C1 | C8 | H81C | H82C | 117.7° | 120.9° |
C1 | C8 | C1' | H1' | 154.3° | 178.8° |
O1' | C1' | C2' | H1' | 114.7° | 120.0° |
O1' | C1' | C2' | O'L | 15.7° | 26.7° |
O1' | C1' | C2' | O'M | 164.1° | 153.2° |
C1' | O1' | C5 | H5 | 167.4° | 175.1° |
O1' | C1' | C8 | H81C | 159.2° | 178.4° |
O1' | C1' | C8 | H82C | 78.3° | 60.7° |
C2' | C1' | O1' | C5 | 86.9° | 62.7° |
C1' | C2' | O'L | O'M | 179.8° | 179.9° |
C2' | C1' | C8 | H81C | 31.4° | 58.2° |
C2' | C1' | C8 | H82C | 153.9° | 179.2° |
C1' | C2' | O'M | H'M | 179.8° | 180.0° |
O1' | C5 | C4 | H4 | 26.8° | 40.6° |
O1' | C5 | C6 | H61C | 60.3° | 62.8° |
O1' | C5 | C6 | H62C | 179.7° | 176.4° |
C5 | O1' | C1' | H1' | 156.6° | 177.3° |
O'L | C2' | C1' | H1' | 99.0° | 93.2° |
O'L | C2' | O'M | H'M | 0.0° | 0.1° |
O'M | C2' | C1' | H1' | 81.2° | 86.9° |
H2 | C2 | C3 | H3 | 0.4° | 1.4° |
H3 | C3 | C4 | H4 | 61.8° | 48.5° |
H4 | C4 | O4 | HA | 113.9° | 59.1° |
H4 | C4 | C5 | H5 | 91.2° | 78.3° |
H5 | C5 | C6 | H61C | 57.8° | 55.5° |
H5 | C5 | C6 | H62C | 61.6° | 65.3° |
H81C | C8 | C1' | H1' | 85.7° | 61.7° |
H82C | C8 | C1' | H1' | 36.7° | 59.2° |