6GR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAN | doub | 1.22Å | 1.26Å | |
| CAN | OAC | sing | 1.35Å | 1.22Å | |
| CAN | CAP | sing | 1.47Å | 1.53Å | |
| CAJ | CAP | doub | 1.40Å | 1.40Å | Aromatic |
| CAJ | CAH | sing | 1.38Å | 1.41Å | Aromatic |
| CAP | CAO | sing | 1.40Å | 1.42Å | Aromatic |
| CAH | CAG | doub | 1.39Å | 1.38Å | Aromatic |
| CAO | O1 | sing | 1.36Å | 1.42Å | |
| CAO | CAI | doub | 1.39Å | 1.40Å | Aromatic |
| CAG | CAI | sing | 1.38Å | 1.41Å | Aromatic |
| O6 | C6 | sing | 1.43Å | 1.35Å | |
| O1 | C1 | sing | 1.43Å | 1.34Å | |
| C6 | C5 | sing | 1.53Å | 1.48Å | |
| O5 | C5 | sing | 1.43Å | 1.44Å | |
| O5 | C1 | sing | 1.43Å | 1.48Å | |
| C5 | C4 | sing | 1.53Å | 1.49Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | O2 | sing | 1.43Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.46Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C4 | C3 | sing | 1.53Å | 1.50Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| OAC | H8 | sing | 0.97Å | 0.95Å | |
| CAJ | H9 | sing | 1.08Å | 1.08Å | |
| CAH | H10 | sing | 1.08Å | 1.08Å | |
| CAG | H11 | sing | 1.08Å | 1.08Å | |
| CAI | H12 | sing | 1.08Å | 1.08Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAN | OAC | 120.1° | 120.0° |
| OAA | CAN | CAP | 117.9° | 120.0° |
| OAC | CAN | CAP | 122.0° | 120.0° |
| CAN | OAC | H8 | 109.5° | 117.1° |
| CAN | CAP | CAJ | 115.1° | 120.2° |
| CAN | CAP | CAO | 125.4° | 120.2° |
| CAP | CAJ | CAH | 120.8° | 119.9° |
| CAJ | CAP | CAO | 119.5° | 119.6° |
| CAP | CAJ | H9 | 119.6° | 120.0° |
| CAJ | CAH | CAG | 119.6° | 120.3° |
| CAH | CAJ | H9 | 119.6° | 120.0° |
| CAJ | CAH | H10 | 120.2° | 119.9° |
| CAP | CAO | O1 | 125.6° | 120.2° |
| CAP | CAO | CAI | 118.9° | 119.7° |
| CAH | CAG | CAI | 120.2° | 120.4° |
| CAG | CAH | H10 | 120.2° | 119.9° |
| CAH | CAG | H11 | 119.9° | 119.8° |
| O1 | CAO | CAI | 115.5° | 120.1° |
| CAO | O1 | C1 | 107.1° | 117.0° |
| CAO | CAI | CAG | 120.9° | 120.1° |
| CAO | CAI | H12 | 119.6° | 119.9° |
| CAI | CAG | H11 | 119.9° | 119.8° |
| CAG | CAI | H12 | 119.6° | 120.0° |
| O6 | C6 | C5 | 116.3° | 109.5° |
| O6 | C6 | H61 | 107.7° | 109.5° |
| O6 | C6 | H62 | 107.8° | 109.4° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| O1 | C1 | O5 | 102.5° | 109.5° |
| O1 | C1 | C2 | 113.6° | 109.4° |
| O1 | C1 | H1 | 109.8° | 109.5° |
| C6 | C5 | O5 | 112.4° | 109.5° |
| C6 | C5 | C4 | 115.4° | 109.5° |
| C6 | C5 | H5 | 106.3° | 109.5° |
| C5 | C6 | H61 | 107.7° | 109.5° |
| C5 | C6 | H62 | 107.7° | 109.5° |
| C5 | O5 | C1 | 109.8° | 114.2° |
| O5 | C5 | C4 | 109.0° | 109.4° |
| O5 | C5 | H5 | 106.9° | 109.5° |
| O5 | C1 | C2 | 115.7° | 109.4° |
| O5 | C1 | H1 | 107.8° | 109.6° |
| C5 | C4 | O4 | 110.8° | 109.5° |
| C5 | C4 | C3 | 112.6° | 109.2° |
| C5 | C4 | H4 | 107.0° | 109.6° |
| C4 | C5 | H5 | 106.3° | 109.5° |
| C1 | C2 | O2 | 113.3° | 109.5° |
| C1 | C2 | C3 | 116.3° | 109.1° |
| C1 | C2 | H2 | 106.6° | 109.6° |
| C2 | C1 | H1 | 107.3° | 109.4° |
| O2 | C2 | C3 | 105.3° | 109.5° |
| O2 | C2 | H2 | 107.4° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C3 | C4 | 115.7° | 109.1° |
| C2 | C3 | O3 | 108.4° | 109.5° |
| C2 | C3 | H3 | 107.1° | 109.5° |
| C3 | C2 | H2 | 107.5° | 109.5° |
| O4 | C4 | C3 | 111.3° | 109.5° |
| O4 | C4 | H4 | 107.9° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C3 | O3 | 111.2° | 109.5° |
| C4 | C3 | H3 | 106.6° | 109.6° |
| C3 | C4 | H4 | 106.9° | 109.5° |
| O3 | C3 | H3 | 107.4° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| H61 | C6 | H62 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAN | OAC | CAP | 179.9° | 179.9° |
| OAA | CAN | CAP | CAJ | 3.9° | 179.8° |
| OAA | CAN | CAP | CAO | 175.9° | 0.1° |
| OAA | CAN | OAC | H8 | 0.0° | 0.1° |
| OAC | CAN | CAP | CAJ | 176.0° | 0.3° |
| OAC | CAN | CAP | CAO | 4.2° | 180.0° |
| CAN | CAP | CAJ | CAO | 179.8° | 179.7° |
| CAN | CAP | CAJ | CAH | 179.8° | 180.0° |
| CAN | CAP | CAO | O1 | 0.4° | 0.0° |
| CAN | CAP | CAO | CAI | 179.8° | 179.8° |
| CAP | CAN | OAC | H8 | 179.9° | 180.0° |
| CAN | CAP | CAJ | H9 | 0.2° | 0.0° |
| CAP | CAJ | CAH | H9 | 180.0° | 180.0° |
| CAP | CAJ | CAH | CAG | 0.0° | 0.0° |
| CAJ | CAP | CAO | O1 | 179.8° | 179.8° |
| CAJ | CAP | CAO | CAI | 0.0° | 0.5° |
| CAP | CAJ | CAH | H10 | 180.0° | 179.9° |
| CAH | CAJ | CAP | CAO | 0.0° | 0.2° |
| CAJ | CAH | CAG | H10 | 180.0° | 180.0° |
| CAJ | CAH | CAG | CAI | 0.1° | 0.0° |
| CAJ | CAH | CAG | H11 | 180.0° | 179.9° |
| CAP | CAO | O1 | CAI | 179.8° | 179.7° |
| CAP | CAO | CAI | CAG | 0.1° | 0.5° |
| CAP | CAO | O1 | C1 | 141.9° | 180.0° |
| CAO | CAP | CAJ | H9 | 180.0° | 179.7° |
| CAP | CAO | CAI | H12 | 179.9° | 179.7° |
| CAH | CAG | CAI | CAO | 0.1° | 0.3° |
| CAH | CAG | CAI | H11 | 180.0° | 179.9° |
| CAG | CAH | CAJ | H9 | 180.0° | 180.0° |
| CAH | CAG | CAI | H12 | 179.9° | 179.9° |
| O1 | CAO | CAI | CAG | 179.9° | 179.8° |
| CAO | O1 | C1 | O5 | 76.3° | 65.2° |
| CAO | O1 | C1 | C2 | 158.2° | 175.0° |
| CAO | O1 | C1 | H1 | 38.1° | 55.0° |
| O1 | CAO | CAI | H12 | 0.1° | 0.1° |
| CAO | CAI | CAG | H12 | 180.0° | 179.8° |
| CAI | CAO | O1 | C1 | 37.9° | 0.3° |
| CAO | CAI | CAG | H11 | 179.9° | 179.8° |
| CAI | CAG | CAH | H10 | 179.9° | 180.0° |
| O6 | C6 | C5 | H61 | 121.0° | 120.0° |
| O6 | C6 | C5 | H62 | 121.0° | 120.0° |
| O6 | C6 | C5 | O5 | 128.1° | 65.1° |
| O6 | C6 | C5 | C4 | 106.1° | 175.0° |
| O6 | C6 | C5 | H5 | 11.5° | 54.9° |
| O6 | C6 | H61 | H62 | 116.9° | 120.0° |
| O1 | C1 | O5 | C5 | 96.0° | 58.8° |
| O1 | C1 | O5 | C2 | 124.1° | 119.9° |
| O1 | C1 | O5 | H1 | 115.8° | 120.2° |
| O1 | C1 | C2 | H1 | 121.4° | 120.0° |
| O1 | C1 | C2 | O2 | 98.5° | 177.7° |
| O1 | C1 | C2 | C3 | 139.2° | 62.4° |
| O1 | C1 | C2 | H2 | 19.4° | 57.5° |
| C6 | C5 | O5 | C4 | 129.2° | 120.0° |
| C6 | C5 | O5 | H5 | 116.3° | 120.0° |
| C6 | C5 | O5 | C1 | 163.0° | 178.9° |
| C6 | C5 | C4 | H5 | 117.6° | 120.0° |
| C6 | C5 | C4 | O4 | 49.4° | 62.5° |
| C6 | C5 | C4 | C3 | 174.8° | 177.6° |
| C6 | C5 | C4 | H4 | 68.0° | 57.6° |
| C5 | C6 | H61 | H62 | 116.9° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O5 | C5 | C4 | H5 | 114.9° | 120.0° |
| C5 | O5 | C1 | C2 | 28.2° | 61.1° |
| O5 | C5 | C4 | O4 | 176.9° | 177.5° |
| O5 | C5 | C4 | C3 | 57.7° | 57.6° |
| O5 | C5 | C4 | H4 | 59.5° | 62.4° |
| O5 | C5 | C6 | H61 | 110.9° | 54.9° |
| O5 | C5 | C6 | H62 | 7.1° | 175.0° |
| C5 | O5 | C1 | H1 | 148.2° | 178.9° |
| C1 | O5 | C5 | C4 | 67.8° | 61.1° |
| O5 | C1 | C2 | H1 | 120.4° | 120.1° |
| O5 | C1 | C2 | O2 | 143.3° | 62.4° |
| O5 | C1 | C2 | C3 | 21.0° | 57.5° |
| O5 | C1 | C2 | H2 | 98.8° | 177.4° |
| C1 | O5 | C5 | H5 | 46.7° | 58.9° |
| C5 | C4 | C3 | C2 | 7.0° | 57.0° |
| C5 | C4 | O4 | C3 | 126.2° | 119.7° |
| C5 | C4 | O4 | H4 | 116.9° | 120.2° |
| C5 | C4 | C3 | H4 | 117.2° | 120.0° |
| C5 | C4 | C3 | O3 | 117.2° | 62.8° |
| C5 | C4 | C3 | H3 | 126.0° | 176.9° |
| C4 | C5 | C6 | H61 | 14.9° | 65.0° |
| C4 | C5 | C6 | H62 | 132.9° | 55.0° |
| C5 | C4 | O4 | HO4 | 180.0° | 179.7° |
| C1 | C2 | O2 | C3 | 128.2° | 119.6° |
| C1 | C2 | O2 | H2 | 117.5° | 120.3° |
| C1 | C2 | C3 | H2 | 119.3° | 120.0° |
| C1 | C2 | C3 | C4 | 31.1° | 57.0° |
| C1 | C2 | C3 | O3 | 156.8° | 62.9° |
| C1 | C2 | C3 | H3 | 87.6° | 176.9° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.3° |
| O2 | C2 | C3 | H2 | 114.3° | 120.1° |
| O2 | C2 | C3 | C4 | 157.5° | 62.9° |
| O2 | C2 | C3 | O3 | 76.8° | 177.2° |
| O2 | C2 | C3 | H3 | 38.8° | 57.1° |
| O2 | C2 | C1 | H1 | 22.9° | 57.7° |
| C2 | C3 | C4 | O4 | 132.2° | 176.9° |
| C2 | C3 | C4 | O3 | 124.2° | 119.9° |
| C2 | C3 | C4 | H3 | 119.0° | 119.9° |
| C2 | C3 | O3 | H3 | 115.4° | 120.1° |
| C2 | C3 | C4 | H4 | 110.2° | 63.0° |
| C3 | C2 | C1 | H1 | 99.4° | 177.5° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.2° |
| C3 | C2 | O2 | HO2 | 51.9° | 179.9° |
| O4 | C4 | C3 | H4 | 117.6° | 120.1° |
| O4 | C4 | C3 | O3 | 8.0° | 57.1° |
| O4 | C4 | C3 | H3 | 108.8° | 63.2° |
| O4 | C4 | C5 | H5 | 68.2° | 57.5° |
| C4 | C3 | O3 | H3 | 116.3° | 120.3° |
| C4 | C3 | C2 | H2 | 88.2° | 177.0° |
| C3 | C4 | C5 | H5 | 57.2° | 62.4° |
| C3 | C4 | O4 | HO4 | 53.8° | 59.9° |
| C4 | C3 | O3 | HO3 | 51.7° | 179.8° |
| O3 | C3 | C2 | H2 | 37.5° | 57.1° |
| O3 | C3 | C4 | H4 | 125.6° | 177.2° |
| H3 | C3 | C2 | H2 | 153.1° | 63.0° |
| H3 | C3 | C4 | H4 | 8.8° | 56.9° |
| H3 | C3 | O3 | HO3 | 64.6° | 59.9° |
| H2 | C2 | C1 | H1 | 140.9° | 62.5° |
| H2 | C2 | O2 | HO2 | 62.5° | 60.0° |
| H4 | C4 | C5 | H5 | 174.4° | 177.7° |
| H4 | C4 | O4 | HO4 | 63.1° | 60.2° |
| H5 | C5 | C6 | H61 | 132.5° | 174.9° |
| H5 | C5 | C6 | H62 | 109.5° | 65.1° |
| H61 | C6 | O6 | HO6 | 59.0° | 59.9° |
| H62 | C6 | O6 | HO6 | 59.0° | 60.1° |
| H9 | CAJ | CAH | H10 | 0.0° | 0.0° |
| H10 | CAH | CAG | H11 | 0.0° | 0.1° |
| H11 | CAG | CAI | H12 | 0.1° | 0.0° |
