178
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C1 | sing | 1.36Å | 1.38Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| C1 | C2 | doub | 1.39Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | C2A | sing | 1.51Å | 1.50Å | |
| C2 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C2A | C2B | sing | 1.53Å | 1.52Å | |
| C2A | C2G | sing | 1.53Å | 1.52Å | |
| C2A | H2A | sing | 1.09Å | 1.11Å | |
| C2B | H2B1 | sing | 1.09Å | 1.11Å | |
| C2B | H2B2 | sing | 1.09Å | 1.11Å | |
| C2B | H2B3 | sing | 1.09Å | 1.11Å | |
| C2G | H2G1 | sing | 1.09Å | 1.11Å | |
| C2G | H2G2 | sing | 1.09Å | 1.11Å | |
| C2G | H2G3 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | S | sing | 1.76Å | 1.70Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| S | C4' | sing | 1.76Å | 1.70Å | |
| O' | C1' | sing | 1.36Å | 1.38Å | |
| O' | HO' | sing | 0.97Å | 0.95Å | |
| C1' | C2' | doub | 1.39Å | 1.42Å | Aromatic |
| C1' | C6' | sing | 1.39Å | 1.41Å | Aromatic |
| C2' | C2X | sing | 1.51Å | 1.50Å | |
| C2' | C3' | sing | 1.38Å | 1.40Å | Aromatic |
| C2X | C2Y | sing | 1.53Å | 1.52Å | |
| C2X | C2Z | sing | 1.53Å | 1.52Å | |
| C2X | H2X | sing | 1.09Å | 1.11Å | |
| C2Y | H2Y1 | sing | 1.09Å | 1.12Å | |
| C2Y | H2Y2 | sing | 1.09Å | 1.11Å | |
| C2Y | H2Y3 | sing | 1.09Å | 1.12Å | |
| C2Z | H2Z1 | sing | 1.09Å | 1.12Å | |
| C2Z | H2Z2 | sing | 1.09Å | 1.11Å | |
| C2Z | H2Z3 | sing | 1.09Å | 1.11Å | |
| C3' | C4' | doub | 1.39Å | 1.41Å | Aromatic |
| C3' | H3' | sing | 1.08Å | 1.10Å | |
| C4' | C5' | sing | 1.39Å | 1.41Å | Aromatic |
| C5' | C6' | doub | 1.38Å | 1.40Å | Aromatic |
| C5' | H5' | sing | 1.08Å | 1.10Å | |
| C6' | H6' | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O | HO | 120.2° | 106.8° |
| O | C1 | C2 | 120.2° | 120.0° |
| O | C1 | C6 | 120.0° | 119.9° |
| C2 | C1 | C6 | 119.8° | 120.0° |
| C1 | C2 | C2A | 120.1° | 120.0° |
| C1 | C2 | C3 | 119.7° | 120.0° |
| C1 | C6 | C5 | 120.1° | 120.0° |
| C1 | C6 | H6 | 120.6° | 120.0° |
| C2A | C2 | C3 | 120.2° | 120.0° |
| C2 | C2A | C2B | 109.9° | 109.5° |
| C2 | C2A | C2G | 109.8° | 109.5° |
| C2 | C2A | H2A | 109.0° | 109.5° |
| C2 | C3 | C4 | 120.0° | 120.0° |
| C2 | C3 | H3 | 119.9° | 120.0° |
| C2B | C2A | C2G | 109.7° | 109.5° |
| C2B | C2A | H2A | 109.2° | 109.4° |
| C2A | C2B | H2B1 | 112.1° | 109.5° |
| C2A | C2B | H2B2 | 109.9° | 109.5° |
| C2A | C2B | H2B3 | 112.0° | 109.5° |
| C2G | C2A | H2A | 109.2° | 109.4° |
| C2A | C2G | H2G1 | 112.1° | 109.5° |
| C2A | C2G | H2G2 | 109.8° | 109.5° |
| C2A | C2G | H2G3 | 112.1° | 109.5° |
| H2B1 | C2B | H2B2 | 112.0° | 109.5° |
| H2B1 | C2B | H2B3 | 98.3° | 109.5° |
| H2B2 | C2B | H2B3 | 112.1° | 109.4° |
| H2G1 | C2G | H2G2 | 112.1° | 109.4° |
| H2G1 | C2G | H2G3 | 98.3° | 109.5° |
| H2G2 | C2G | H2G3 | 112.1° | 109.5° |
| C4 | C3 | H3 | 120.1° | 120.1° |
| C3 | C4 | C5 | 120.2° | 120.0° |
| C3 | C4 | S | 119.9° | 120.0° |
| C5 | C4 | S | 119.9° | 120.0° |
| C4 | C5 | C6 | 120.2° | 119.9° |
| C4 | C5 | H5 | 120.3° | 120.1° |
| C4 | S | C4' | 101.8° | 100.0° |
| C6 | C5 | H5 | 119.4° | 120.0° |
| C5 | C6 | H6 | 119.3° | 120.0° |
| S | C4' | C3' | 119.9° | 120.1° |
| S | C4' | C5' | 119.9° | 120.0° |
| C1' | O' | HO' | 120.3° | 106.9° |
| O' | C1' | C2' | 120.3° | 120.1° |
| O' | C1' | C6' | 119.9° | 119.9° |
| C2' | C1' | C6' | 119.8° | 120.0° |
| C1' | C2' | C2X | 120.2° | 119.9° |
| C1' | C2' | C3' | 119.7° | 120.1° |
| C1' | C6' | C5' | 120.0° | 120.0° |
| C1' | C6' | H6' | 120.7° | 120.0° |
| C2X | C2' | C3' | 120.2° | 120.0° |
| C2' | C2X | C2Y | 109.8° | 109.5° |
| C2' | C2X | C2Z | 109.9° | 109.4° |
| C2' | C2X | H2X | 109.0° | 109.5° |
| C2' | C3' | C4' | 120.1° | 120.0° |
| C2' | C3' | H3' | 119.8° | 120.0° |
| C2Y | C2X | C2Z | 109.6° | 109.4° |
| C2Y | C2X | H2X | 109.3° | 109.5° |
| C2X | C2Y | H2Y1 | 112.1° | 109.4° |
| C2X | C2Y | H2Y2 | 109.8° | 109.4° |
| C2X | C2Y | H2Y3 | 112.1° | 109.5° |
| C2Z | C2X | H2X | 109.3° | 109.5° |
| C2X | C2Z | H2Z1 | 112.1° | 109.5° |
| C2X | C2Z | H2Z2 | 109.9° | 109.5° |
| C2X | C2Z | H2Z3 | 112.1° | 109.5° |
| H2Y1 | C2Y | H2Y2 | 112.1° | 109.5° |
| H2Y1 | C2Y | H2Y3 | 98.4° | 109.5° |
| H2Y2 | C2Y | H2Y3 | 112.1° | 109.5° |
| H2Z1 | C2Z | H2Z2 | 112.1° | 109.4° |
| H2Z1 | C2Z | H2Z3 | 98.3° | 109.5° |
| H2Z2 | C2Z | H2Z3 | 112.0° | 109.5° |
| C4' | C3' | H3' | 120.1° | 120.0° |
| C3' | C4' | C5' | 120.2° | 119.9° |
| C4' | C5' | C6' | 120.2° | 120.0° |
| C4' | C5' | H5' | 120.3° | 120.0° |
| C6' | C5' | H5' | 119.5° | 120.0° |
| C5' | C6' | H6' | 119.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C1 | C2 | C6 | 179.9° | 179.5° |
| O | C1 | C2 | C2A | 0.1° | 0.3° |
| O | C1 | C2 | C3 | 180.0° | 180.0° |
| O | C1 | C6 | C5 | 180.0° | 180.0° |
| O | C1 | C6 | H6 | 0.0° | 0.2° |
| HO | O | C1 | C2 | 180.0° | 90.5° |
| HO | O | C1 | C6 | 0.1° | 90.0° |
| C1 | C2 | C2A | C3 | 180.0° | 179.7° |
| C1 | C2 | C2A | C2B | 119.8° | 119.7° |
| C1 | C2 | C2A | C2G | 119.5° | 120.2° |
| C1 | C2 | C2A | H2A | 0.1° | 0.2° |
| C1 | C2 | C3 | C4 | 0.0° | 0.2° |
| C1 | C2 | C3 | H3 | 180.0° | 179.8° |
| C2 | C1 | C6 | C5 | 0.1° | 0.5° |
| C2 | C1 | C6 | H6 | 179.9° | 179.7° |
| C6 | C1 | C2 | C2A | 180.0° | 179.8° |
| C6 | C1 | C2 | C3 | 0.1° | 0.5° |
| C1 | C6 | C5 | C4 | 0.1° | 0.3° |
| C1 | C6 | C5 | H6 | 180.0° | 179.8° |
| C1 | C6 | C5 | H5 | 179.9° | 179.8° |
| C2 | C2A | C2B | C2G | 120.8° | 120.1° |
| C2 | C2A | C2B | H2A | 119.5° | 120.0° |
| C2 | C2A | C2G | H2A | 119.5° | 120.0° |
| C2 | C2A | C2B | H2B1 | 54.7° | 180.0° |
| C2 | C2A | C2B | H2B2 | 180.0° | 60.0° |
| C2 | C2A | C2B | H2B3 | 54.7° | 60.0° |
| C2 | C2A | C2G | H2G1 | 54.7° | 60.0° |
| C2 | C2A | C2G | H2G2 | 180.0° | 60.0° |
| C2 | C2A | C2G | H2G3 | 54.7° | 180.0° |
| C2A | C2 | C3 | C4 | 180.0° | 180.0° |
| C2A | C2 | C3 | H3 | 0.0° | 0.0° |
| C3 | C2 | C2A | C2B | 60.2° | 60.0° |
| C3 | C2 | C2A | C2G | 60.5° | 60.0° |
| C3 | C2 | C2A | H2A | 179.8° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C2 | C3 | C4 | S | 180.0° | 180.0° |
| C2B | C2A | C2G | H2A | 119.6° | 119.9° |
| C2A | C2B | H2B1 | H2B2 | 124.0° | 120.0° |
| C2A | C2B | H2B1 | H2B3 | 118.0° | 120.0° |
| C2A | C2B | H2B2 | H2B3 | 125.3° | 120.0° |
| C2B | C2A | C2G | H2G1 | 66.1° | 60.1° |
| C2B | C2A | C2G | H2G2 | 59.2° | 180.0° |
| C2B | C2A | C2G | H2G3 | 175.6° | 59.9° |
| C2G | C2A | C2B | H2B1 | 175.5° | 59.9° |
| C2G | C2A | C2B | H2B2 | 59.2° | 179.9° |
| C2G | C2A | C2B | H2B3 | 66.1° | 60.1° |
| C2A | C2G | H2G1 | H2G2 | 124.0° | 120.0° |
| C2A | C2G | H2G1 | H2G3 | 118.0° | 120.1° |
| C2A | C2G | H2G2 | H2G3 | 125.2° | 120.1° |
| H2A | C2A | C2B | H2B1 | 64.8° | 60.0° |
| H2A | C2A | C2B | H2B2 | 60.4° | 60.0° |
| H2A | C2A | C2B | H2B3 | 174.2° | 180.0° |
| H2A | C2A | C2G | H2G1 | 174.3° | 180.0° |
| H2A | C2A | C2G | H2G2 | 60.5° | 60.1° |
| H2A | C2A | C2G | H2G3 | 64.8° | 60.0° |
| H2B1 | C2B | H2B2 | H2B3 | 109.5° | 120.0° |
| H2G1 | C2G | H2G2 | H2G3 | 109.5° | 120.0° |
| C3 | C4 | C5 | S | 179.9° | 179.9° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C3 | C4 | S | C4' | 68.4° | 174.2° |
| H3 | C3 | C4 | C5 | 180.0° | 180.0° |
| H3 | C3 | C4 | S | 0.1° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 179.9° | 179.9° |
| C5 | C4 | S | C4' | 111.5° | 5.8° |
| S | C4 | C5 | C6 | 180.0° | 180.0° |
| S | C4 | C5 | H5 | 0.0° | 0.1° |
| C4 | S | C4' | C3' | 63.3° | 85.5° |
| C4 | S | C4' | C5' | 116.7° | 94.9° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| S | C4' | C3' | C2' | 180.0° | 179.8° |
| S | C4' | C3' | C5' | 180.0° | 179.6° |
| S | C4' | C3' | H3' | 0.0° | 0.3° |
| S | C4' | C5' | C6' | 180.0° | 180.0° |
| S | C4' | C5' | H5' | 0.0° | 0.2° |
| O' | C1' | C2' | C6' | 179.9° | 179.9° |
| O' | C1' | C2' | C2X | 0.0° | 0.0° |
| O' | C1' | C2' | C3' | 179.9° | 179.7° |
| O' | C1' | C6' | C5' | 180.0° | 179.9° |
| O' | C1' | C6' | H6' | 0.0° | 0.1° |
| HO' | O' | C1' | C2' | 180.0° | 89.9° |
| HO' | O' | C1' | C6' | 0.1° | 90.0° |
| C1' | C2' | C2X | C3' | 180.0° | 179.8° |
| C1' | C2' | C2X | C2Y | 120.6° | 120.0° |
| C1' | C2' | C2X | C2Z | 118.8° | 120.0° |
| C1' | C2' | C2X | H2X | 0.9° | 0.0° |
| C1' | C2' | C3' | C4' | 0.0° | 0.5° |
| C1' | C2' | C3' | H3' | 180.0° | 180.0° |
| C2' | C1' | C6' | C5' | 0.1° | 0.0° |
| C2' | C1' | C6' | H6' | 179.9° | 180.0° |
| C6' | C1' | C2' | C2X | 179.9° | 180.0° |
| C6' | C1' | C2' | C3' | 0.0° | 0.2° |
| C1' | C6' | C5' | C4' | 0.1° | 0.1° |
| C1' | C6' | C5' | H6' | 180.0° | 180.0° |
| C1' | C6' | C5' | H5' | 180.0° | 179.9° |
| C2' | C2X | C2Y | C2Z | 120.8° | 119.9° |
| C2' | C2X | C2Y | H2X | 119.6° | 120.0° |
| C2' | C2X | C2Z | H2X | 119.6° | 120.0° |
| C2' | C2X | C2Y | H2Y1 | 54.7° | 180.0° |
| C2' | C2X | C2Y | H2Y2 | 180.0° | 60.0° |
| C2' | C2X | C2Y | H2Y3 | 54.8° | 59.9° |
| C2' | C2X | C2Z | H2Z1 | 54.7° | 60.0° |
| C2' | C2X | C2Z | H2Z2 | 180.0° | 60.0° |
| C2' | C2X | C2Z | H2Z3 | 54.7° | 180.0° |
| C2X | C2' | C3' | C4' | 180.0° | 179.7° |
| C2X | C2' | C3' | H3' | 0.0° | 0.2° |
| C3' | C2' | C2X | C2Y | 59.4° | 59.7° |
| C3' | C2' | C2X | C2Z | 61.2° | 60.2° |
| C3' | C2' | C2X | H2X | 179.1° | 179.8° |
| C2' | C3' | C4' | H3' | 180.0° | 179.5° |
| C2' | C3' | C4' | C5' | 0.0° | 0.6° |
| C2Y | C2X | C2Z | H2X | 119.7° | 120.0° |
| C2X | C2Y | H2Y1 | H2Y2 | 124.0° | 119.9° |
| C2X | C2Y | H2Y1 | H2Y3 | 118.0° | 120.0° |
| C2X | C2Y | H2Y2 | H2Y3 | 125.2° | 120.0° |
| C2Y | C2X | C2Z | H2Z1 | 175.4° | 60.0° |
| C2Y | C2X | C2Z | H2Z2 | 59.3° | 180.0° |
| C2Y | C2X | C2Z | H2Z3 | 66.0° | 60.1° |
| C2Z | C2X | C2Y | H2Y1 | 66.0° | 60.1° |
| C2Z | C2X | C2Y | H2Y2 | 59.2° | 180.0° |
| C2Z | C2X | C2Y | H2Y3 | 175.5° | 60.0° |
| C2X | C2Z | H2Z1 | H2Z2 | 124.1° | 120.0° |
| C2X | C2Z | H2Z1 | H2Z3 | 118.0° | 120.0° |
| C2X | C2Z | H2Z2 | H2Z3 | 125.3° | 120.0° |
| H2X | C2X | C2Y | H2Y1 | 174.3° | 60.0° |
| H2X | C2X | C2Y | H2Y2 | 60.4° | 60.0° |
| H2X | C2X | C2Y | H2Y3 | 64.8° | 179.9° |
| H2X | C2X | C2Z | H2Z1 | 64.9° | NaN° |
| H2X | C2X | C2Z | H2Z2 | 60.4° | 60.0° |
| H2X | C2X | C2Z | H2Z3 | 174.3° | 60.0° |
| H2Y1 | C2Y | H2Y2 | H2Y3 | 109.5° | 120.1° |
| H2Z1 | C2Z | H2Z2 | H2Z3 | 109.4° | 120.0° |
| C3' | C4' | C5' | C6' | 0.0° | 0.4° |
| C3' | C4' | C5' | H5' | 180.0° | 179.8° |
| H3' | C3' | C4' | C5' | 180.0° | 179.9° |
| C4' | C5' | C6' | H5' | 180.0° | 179.9° |
| C4' | C5' | C6' | H6' | 179.9° | 179.9° |
| H5' | C5' | C6' | H6' | 0.1° | 0.0° |
