HQ9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.51Å | 1.51Å | |
C1 | O1 | sing | 1.34Å | 1.22Å | |
C1 | O2 | doub | 1.21Å | 1.20Å | |
C2 | C1' | sing | 1.51Å | 1.50Å | |
C1' | C2' | doub | 1.33Å | 1.31Å | |
C1' | C6' | sing | 1.50Å | 1.45Å | |
C2' | C3' | sing | 1.48Å | 1.50Å | |
C3' | O3' | doub | 1.22Å | 1.42Å | |
C3' | C4' | sing | 1.47Å | 1.50Å | |
C4' | C5' | doub | 1.33Å | 1.29Å | |
C5' | C6' | sing | 1.49Å | 1.53Å | |
C6' | O6' | sing | 1.43Å | 1.40Å | |
C2 | H21C | sing | 1.09Å | 1.10Å | |
C2 | H22C | sing | 1.09Å | 1.10Å | |
O1 | H1 | sing | 0.97Å | 0.95Å | |
C2' | H2' | sing | 1.08Å | 1.08Å | |
C4' | H4' | sing | 1.08Å | 1.08Å | |
C5' | H5' | sing | 1.08Å | 1.08Å | |
C6' | H6' | sing | 1.09Å | 1.10Å | |
O6' | H6'A | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1 | 119.6° | 120.0° |
C2 | C1 | O2 | 115.2° | 120.0° |
C1 | C2 | C1' | 115.4° | 109.5° |
C1 | C2 | H21C | 107.9° | 109.4° |
C1 | C2 | H22C | 108.0° | 109.4° |
O1 | C1 | O2 | 116.0° | 120.0° |
C1 | O1 | H1 | 109.5° | 117.1° |
C2 | C1' | C2' | 124.0° | 118.5° |
C2 | C1' | C6' | 112.0° | 118.5° |
C1' | C2 | H21C | 108.0° | 109.5° |
C1' | C2 | H22C | 108.0° | 109.5° |
C2' | C1' | C6' | 123.1° | 123.0° |
C1' | C2' | C3' | 120.8° | 119.4° |
C1' | C2' | H2' | 119.6° | 120.3° |
C1' | C6' | C5' | 116.0° | 113.1° |
C1' | C6' | O6' | 118.2° | 108.8° |
C1' | C6' | H6' | 100.0° | 108.8° |
C2' | C3' | O3' | 124.5° | 121.1° |
C2' | C3' | C4' | 116.8° | 117.7° |
C3' | C2' | H2' | 119.6° | 120.3° |
O3' | C3' | C4' | 118.6° | 121.2° |
C3' | C4' | C5' | 121.0° | 119.5° |
C3' | C4' | H4' | 119.5° | 120.3° |
C4' | C5' | C6' | 121.8° | 123.0° |
C5' | C4' | H4' | 119.5° | 120.2° |
C4' | C5' | H5' | 119.1° | 118.5° |
C5' | C6' | O6' | 117.0° | 108.6° |
C6' | C5' | H5' | 119.1° | 118.5° |
C5' | C6' | H6' | 99.5° | 108.9° |
O6' | C6' | H6' | 100.4° | 108.6° |
C6' | O6' | H6'A | 109.5° | 114.0° |
H21C | C2 | H22C | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | O2 | 145.3° | 179.7° |
C1 | C2 | C1' | H21C | 120.9° | 120.0° |
C1 | C2 | C1' | H22C | 120.9° | 120.0° |
C1 | C2 | C1' | C2' | 90.9° | 95.0° |
C1 | C2 | C1' | C6' | 78.9° | 85.3° |
C1 | C2 | H21C | H22C | 117.3° | 119.9° |
C2 | C1 | O1 | H1 | 145.3° | 180.0° |
O1 | C1 | C2 | C1' | 157.1° | 180.0° |
O1 | C1 | C2 | H21C | 82.0° | 60.0° |
O1 | C1 | C2 | H22C | 36.2° | 59.9° |
O2 | C1 | C2 | C1' | 57.3° | 0.3° |
O2 | C1 | C2 | H21C | 63.6° | 119.8° |
O2 | C1 | C2 | H22C | 178.2° | 120.3° |
O2 | C1 | O1 | H1 | 0.0° | 0.3° |
C2 | C1' | C2' | C6' | 168.7° | 179.7° |
C2 | C1' | C2' | C3' | 162.9° | 179.3° |
C2 | C1' | C6' | C5' | 162.4° | 163.5° |
C2 | C1' | C6' | O6' | 15.9° | 75.8° |
C1' | C2 | H21C | H22C | 117.3° | 120.1° |
C2 | C1' | C2' | H2' | 17.1° | 0.6° |
C2 | C1' | C6' | H6' | 91.7° | 42.4° |
C1' | C2' | C3' | H2' | 180.0° | 180.0° |
C1' | C2' | C3' | O3' | 179.6° | 163.4° |
C1' | C2' | C3' | C4' | 2.3° | 16.6° |
C2' | C1' | C6' | C5' | 7.5° | 16.2° |
C2' | C1' | C6' | O6' | 154.0° | 104.5° |
C2' | C1' | C2 | H21C | 30.0° | 25.0° |
C2' | C1' | C2 | H22C | 148.3° | 145.0° |
C2' | C1' | C6' | H6' | 98.4° | 137.4° |
C6' | C1' | C2' | C3' | 5.8° | 0.4° |
C1' | C6' | C5' | C4' | 6.1° | 16.2° |
C1' | C6' | C5' | O6' | 146.9° | 120.9° |
C1' | C6' | C5' | H6' | 106.2° | 121.1° |
C1' | C6' | O6' | H6' | 107.4° | 118.2° |
C6' | C1' | C2 | H21C | 160.2° | 154.8° |
C6' | C1' | C2 | H22C | 41.9° | 34.7° |
C6' | C1' | C2' | H2' | 174.2° | 179.6° |
C1' | C6' | C5' | H5' | 173.9° | 163.5° |
C1' | C6' | O6' | H6'A | 180.0° | 180.0° |
C2' | C3' | O3' | C4' | 178.1° | 180.0° |
C2' | C3' | C4' | C5' | 1.0° | 16.6° |
C2' | C3' | C4' | H4' | 179.0° | 163.4° |
O3' | C3' | C4' | C5' | 179.3° | 163.4° |
O3' | C3' | C2' | H2' | 0.4° | 16.6° |
O3' | C3' | C4' | H4' | 0.7° | 16.6° |
C3' | C4' | C5' | H4' | 180.0° | 180.0° |
C3' | C4' | C5' | C6' | 3.1° | 0.4° |
C4' | C3' | C2' | H2' | 177.7° | 163.4° |
C3' | C4' | C5' | H5' | 176.8° | 179.4° |
C4' | C5' | C6' | H5' | 180.0° | 179.8° |
C4' | C5' | C6' | O6' | 153.0° | 104.6° |
C4' | C5' | C6' | H6' | 100.0° | 137.3° |
C5' | C6' | O6' | H6' | 106.4° | 118.3° |
C6' | C5' | C4' | H4' | 176.9° | 179.6° |
C5' | C6' | O6' | H6'A | 33.8° | 56.5° |
O6' | C6' | C5' | H5' | 27.0° | 75.6° |
H4' | C4' | C5' | H5' | 3.2° | 0.6° |
H5' | C5' | C6' | H6' | 80.0° | 42.5° |
H6' | C6' | O6' | H6'A | 72.6° | 61.7° |