H9R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | sing | 1.43Å | 1.39Å | |
| O4 | C4 | sing | 1.43Å | 1.47Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| O2 | C2 | sing | 1.43Å | 1.46Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| OAP | CAO | sing | 1.36Å | 1.38Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C6 | O6 | sing | 1.43Å | 1.45Å | |
| OAM | CAL | doub | 1.22Å | 1.24Å | |
| C5 | O5 | sing | 1.43Å | 1.48Å | |
| C1 | O5 | sing | 1.43Å | 1.46Å | |
| C1 | CAU | sing | 1.51Å | 1.54Å | |
| CAO | CAU | doub | 1.38Å | 1.41Å | Aromatic |
| CAO | CAN | sing | 1.40Å | 1.40Å | Aromatic |
| CAL | CAN | sing | 1.47Å | 1.40Å | |
| CAL | CAK | sing | 1.42Å | 1.40Å | |
| CAU | CAS | sing | 1.39Å | 1.40Å | Aromatic |
| CAN | CAQ | doub | 1.41Å | 1.41Å | Aromatic |
| CAK | CAI | doub | 1.36Å | 1.40Å | |
| CAS | OAT | sing | 1.36Å | 1.37Å | |
| CAS | CAR | doub | 1.39Å | 1.40Å | Aromatic |
| CAQ | CAR | sing | 1.39Å | 1.40Å | Aromatic |
| CAQ | OAJ | sing | 1.35Å | 1.36Å | |
| CAI | OAJ | sing | 1.34Å | 1.36Å | |
| CAI | CAH | sing | 1.48Å | 1.40Å | |
| CAH | CAG | doub | 1.40Å | 1.40Å | Aromatic |
| CAH | CAA | sing | 1.40Å | 1.39Å | Aromatic |
| CAG | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAA | CAB | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAD | doub | 1.39Å | 1.39Å | Aromatic |
| CAB | CAD | sing | 1.39Å | 1.40Å | Aromatic |
| CAB | OAC | sing | 1.36Å | 1.36Å | |
| CAD | OAE | sing | 1.36Å | 1.38Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.08Å | 1.08Å | |
| CAF | H9 | sing | 1.08Å | 1.08Å | |
| CAG | H10 | sing | 1.08Å | 1.08Å | |
| CAK | H11 | sing | 1.08Å | 1.08Å | |
| CAR | H12 | sing | 1.08Å | 1.08Å | |
| O2 | H13 | sing | 0.97Å | 0.95Å | |
| O3 | H14 | sing | 0.97Å | 0.95Å | |
| O4 | H15 | sing | 0.97Å | 0.95Å | |
| O6 | H16 | sing | 0.97Å | 0.95Å | |
| OAC | H17 | sing | 0.97Å | 0.95Å | |
| OAE | H18 | sing | 0.97Å | 0.95Å | |
| OAP | H19 | sing | 0.97Å | 0.95Å | |
| OAT | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | C4 | 110.5° | 109.5° |
| O3 | C3 | C2 | 107.9° | 109.6° |
| O3 | C3 | H5 | 111.3° | 109.6° |
| C3 | O3 | H14 | 109.5° | 114.0° |
| O4 | C4 | C3 | 111.1° | 109.5° |
| O4 | C4 | C5 | 112.4° | 109.5° |
| O4 | C4 | H1 | 109.1° | 109.6° |
| C4 | O4 | H15 | 109.5° | 114.1° |
| C3 | C4 | C5 | 107.4° | 109.1° |
| C4 | C3 | C2 | 108.3° | 109.0° |
| C3 | C4 | H1 | 108.3° | 109.5° |
| C4 | C3 | H5 | 109.2° | 109.5° |
| C4 | C5 | C6 | 110.4° | 109.4° |
| C4 | C5 | O5 | 110.1° | 109.4° |
| C5 | C4 | H1 | 108.3° | 109.5° |
| C4 | C5 | H2 | 109.2° | 109.5° |
| C3 | C2 | O2 | 110.2° | 109.5° |
| C3 | C2 | C1 | 105.0° | 109.2° |
| C2 | C3 | H5 | 109.5° | 109.6° |
| C3 | C2 | H7 | 110.0° | 109.5° |
| O2 | C2 | C1 | 110.6° | 109.5° |
| O2 | C2 | H7 | 110.8° | 109.5° |
| C2 | O2 | H13 | 109.5° | 114.0° |
| C2 | C1 | O5 | 111.5° | 109.4° |
| C2 | C1 | CAU | 112.7° | 109.5° |
| C2 | C1 | H6 | 107.1° | 109.5° |
| C1 | C2 | H7 | 110.2° | 109.6° |
| OAP | CAO | CAU | 120.1° | 120.2° |
| OAP | CAO | CAN | 118.5° | 120.3° |
| CAO | OAP | H19 | 109.5° | 114.0° |
| C5 | C6 | O6 | 108.6° | 109.5° |
| C6 | C5 | O5 | 108.2° | 109.5° |
| C6 | C5 | H2 | 109.1° | 109.5° |
| C5 | C6 | H3 | 109.7° | 109.5° |
| C5 | C6 | H4 | 109.7° | 109.5° |
| O6 | C6 | H3 | 109.7° | 109.5° |
| O6 | C6 | H4 | 109.7° | 109.4° |
| C6 | O6 | H16 | 109.5° | 114.0° |
| OAM | CAL | CAN | 121.1° | 121.3° |
| OAM | CAL | CAK | 119.9° | 121.3° |
| C5 | O5 | C1 | 114.1° | 114.1° |
| O5 | C5 | H2 | 109.8° | 109.5° |
| O5 | C1 | CAU | 110.7° | 109.5° |
| O5 | C1 | H6 | 107.7° | 109.5° |
| C1 | CAU | CAO | 126.1° | 119.9° |
| C1 | CAU | CAS | 114.7° | 119.9° |
| CAU | C1 | H6 | 106.7° | 109.5° |
| CAU | CAO | CAN | 121.4° | 119.5° |
| CAO | CAU | CAS | 119.2° | 120.1° |
| CAO | CAN | CAL | 121.5° | 121.3° |
| CAO | CAN | CAQ | 117.7° | 120.3° |
| CAN | CAL | CAK | 118.6° | 117.4° |
| CAL | CAN | CAQ | 120.7° | 118.5° |
| CAL | CAK | CAI | 118.8° | 119.5° |
| CAL | CAK | H11 | 120.6° | 120.2° |
| CAU | CAS | OAT | 115.6° | 119.7° |
| CAU | CAS | CAR | 121.0° | 120.7° |
| CAN | CAQ | CAR | 121.9° | 119.4° |
| CAN | CAQ | OAJ | 119.3° | 119.8° |
| CAK | CAI | OAJ | 121.7° | 122.5° |
| CAK | CAI | CAH | 126.5° | 118.7° |
| CAI | CAK | H11 | 120.6° | 120.3° |
| OAT | CAS | CAR | 123.4° | 119.7° |
| CAS | OAT | H20 | 109.5° | 114.0° |
| CAS | CAR | CAQ | 118.8° | 120.1° |
| CAS | CAR | H12 | 120.6° | 120.0° |
| CAR | CAQ | OAJ | 118.8° | 120.8° |
| CAQ | CAR | H12 | 120.6° | 120.0° |
| CAQ | OAJ | CAI | 120.7° | 122.3° |
| OAJ | CAI | CAH | 111.8° | 118.7° |
| CAI | CAH | CAG | 123.1° | 120.1° |
| CAI | CAH | CAA | 117.9° | 120.1° |
| CAG | CAH | CAA | 119.0° | 119.9° |
| CAH | CAG | CAF | 121.9° | 120.0° |
| CAH | CAG | H10 | 119.1° | 120.0° |
| CAH | CAA | CAB | 119.1° | 119.8° |
| CAH | CAA | H8 | 120.4° | 120.0° |
| CAG | CAF | CAD | 118.9° | 120.2° |
| CAG | CAF | H9 | 120.6° | 120.0° |
| CAF | CAG | H10 | 119.0° | 120.0° |
| CAA | CAB | CAD | 121.5° | 120.1° |
| CAA | CAB | OAC | 121.1° | 120.0° |
| CAB | CAA | H8 | 120.4° | 120.2° |
| CAF | CAD | CAB | 119.5° | 120.1° |
| CAF | CAD | OAE | 122.6° | 119.9° |
| CAD | CAF | H9 | 120.5° | 119.9° |
| CAD | CAB | OAC | 117.4° | 120.0° |
| CAB | CAD | OAE | 117.9° | 120.0° |
| CAB | OAC | H17 | 109.5° | 114.0° |
| CAD | OAE | H18 | 109.5° | 114.0° |
| H3 | C6 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | C4 | O4 | 53.2° | 63.2° |
| O3 | C3 | C4 | C2 | 118.0° | 119.9° |
| O3 | C3 | C4 | H5 | 122.8° | 120.2° |
| O3 | C3 | C4 | C5 | 176.6° | 176.9° |
| O3 | C3 | C2 | H5 | 121.3° | 120.3° |
| O3 | C3 | C2 | O2 | 54.1° | 63.3° |
| O3 | C3 | C2 | C1 | 173.2° | 176.8° |
| O3 | C3 | C4 | H1 | 66.7° | 57.0° |
| O3 | C3 | C2 | H7 | 68.3° | 56.9° |
| O4 | C4 | C3 | C5 | 123.4° | 119.9° |
| O4 | C4 | C3 | H1 | 119.9° | 120.2° |
| O4 | C4 | C5 | H1 | 120.7° | 120.2° |
| O4 | C4 | C3 | C2 | 171.2° | 176.9° |
| O4 | C4 | C5 | C6 | 62.5° | 62.5° |
| O4 | C4 | C5 | O5 | 178.1° | 177.5° |
| O4 | C4 | C5 | H2 | 57.5° | 57.5° |
| O4 | C4 | C3 | H5 | 69.6° | 57.0° |
| C3 | C4 | C5 | H1 | 116.7° | 119.9° |
| C4 | C3 | C2 | H5 | 119.0° | 119.9° |
| C4 | C3 | C2 | O2 | 173.8° | 176.9° |
| C4 | C3 | C2 | C1 | 67.2° | 57.0° |
| C3 | C4 | C5 | C6 | 174.9° | 177.6° |
| C3 | C4 | C5 | O5 | 55.5° | 57.6° |
| C3 | C4 | C5 | H2 | 65.1° | 62.4° |
| C4 | C3 | C2 | H7 | 51.3° | 63.0° |
| C4 | C3 | O3 | H14 | 180.0° | 60.0° |
| C3 | C4 | O4 | H15 | 180.0° | 59.9° |
| C5 | C4 | C3 | C2 | 65.4° | 57.0° |
| C4 | C5 | C6 | O5 | 120.5° | 119.9° |
| C4 | C5 | C6 | H2 | 120.0° | 120.0° |
| C4 | C5 | C6 | O6 | 148.4° | 175.0° |
| C4 | C5 | O5 | H2 | 120.2° | 120.0° |
| C4 | C5 | O5 | C1 | 52.0° | 61.2° |
| C4 | C5 | C6 | H3 | 91.7° | 55.0° |
| C4 | C5 | C6 | H4 | 28.6° | 65.0° |
| C5 | C4 | C3 | H5 | 53.8° | 62.9° |
| C5 | C4 | O4 | H15 | 59.5° | 179.6° |
| C3 | C2 | O2 | C1 | 115.6° | 119.7° |
| C3 | C2 | O2 | H7 | 122.0° | 120.1° |
| C3 | C2 | C1 | H7 | 118.4° | 120.0° |
| C3 | C2 | C1 | O5 | 61.6° | 57.6° |
| C3 | C2 | C1 | CAU | 173.2° | 177.6° |
| C2 | C3 | C4 | H1 | 51.3° | 62.9° |
| C3 | C2 | C1 | H6 | 56.1° | 62.4° |
| C3 | C2 | O2 | H13 | 180.0° | 60.0° |
| C2 | C3 | O3 | H14 | 61.8° | 179.6° |
| O2 | C2 | C1 | H7 | 122.8° | 120.2° |
| O2 | C2 | C1 | O5 | 179.6° | 177.5° |
| O2 | C2 | C1 | CAU | 54.4° | 62.5° |
| O2 | C2 | C3 | H5 | 67.2° | 57.0° |
| O2 | C2 | C1 | H6 | 62.8° | 57.5° |
| C2 | C1 | O5 | C5 | 55.9° | 61.1° |
| C2 | C1 | O5 | CAU | 126.4° | 120.0° |
| C2 | C1 | O5 | H6 | 117.3° | 120.0° |
| C2 | C1 | CAU | H6 | 117.4° | 120.0° |
| C2 | C1 | CAU | CAO | 74.0° | 105.1° |
| C2 | C1 | CAU | CAS | 107.2° | 75.0° |
| C1 | C2 | C3 | H5 | 51.9° | 62.9° |
| C1 | C2 | O2 | H13 | 64.4° | 179.7° |
| OAP | CAO | CAU | C1 | 0.8° | 0.0° |
| OAP | CAO | CAU | CAN | 179.7° | 179.9° |
| OAP | CAO | CAN | CAL | 2.5° | 0.0° |
| OAP | CAO | CAU | CAS | 179.6° | 179.9° |
| OAP | CAO | CAN | CAQ | 179.5° | 179.9° |
| C5 | C6 | O6 | H3 | 119.8° | 120.0° |
| C5 | C6 | O6 | H4 | 119.9° | 120.0° |
| C6 | C5 | O5 | H2 | 119.0° | 120.0° |
| C6 | C5 | O5 | C1 | 172.7° | 178.9° |
| C6 | C5 | C4 | H1 | 58.2° | 57.7° |
| C5 | C6 | H3 | H4 | 120.4° | 120.1° |
| C5 | C6 | O6 | H16 | 180.0° | 179.9° |
| O6 | C6 | C5 | O5 | 27.9° | 65.0° |
| O6 | C6 | C5 | H2 | 91.6° | 55.0° |
| O6 | C6 | H3 | H4 | 120.4° | 119.9° |
| OAM | CAL | CAN | CAO | 1.1° | 0.1° |
| OAM | CAL | CAN | CAK | 172.2° | 180.0° |
| OAM | CAL | CAN | CAQ | 175.7° | 179.9° |
| OAM | CAL | CAK | CAI | 177.7° | 179.9° |
| OAM | CAL | CAK | H11 | 2.4° | 0.1° |
| C5 | O5 | C1 | CAU | 177.7° | 178.9° |
| O5 | C5 | C4 | H1 | 61.2° | 62.3° |
| O5 | C5 | C6 | H3 | 147.8° | 175.0° |
| O5 | C5 | C6 | H4 | 91.9° | 54.9° |
| C5 | O5 | C1 | H6 | 61.3° | 58.8° |
| O5 | C1 | CAU | H6 | 116.9° | 120.0° |
| O5 | C1 | CAU | CAO | 51.7° | 135.0° |
| O5 | C1 | CAU | CAS | 127.1° | 44.9° |
| C1 | O5 | C5 | H2 | 68.3° | 58.8° |
| O5 | C1 | C2 | H7 | 56.8° | 62.4° |
| C1 | CAU | CAO | CAS | 178.8° | 179.9° |
| C1 | CAU | CAO | CAN | 179.5° | 179.9° |
| C1 | CAU | CAS | OAT | 1.7° | 0.1° |
| C1 | CAU | CAS | CAR | 179.1° | 180.0° |
| CAU | C1 | C2 | H7 | 68.4° | 57.6° |
| CAU | CAO | CAN | CAL | 177.7° | 180.0° |
| CAU | CAO | CAN | CAQ | 0.8° | 0.0° |
| CAO | CAU | CAS | OAT | 179.3° | 180.0° |
| CAO | CAU | CAS | CAR | 0.2° | 0.0° |
| CAO | CAU | C1 | H6 | 168.7° | 15.0° |
| CAU | CAO | OAP | H19 | 177.5° | 90.0° |
| CAO | CAN | CAL | CAQ | 176.8° | 180.0° |
| CAO | CAN | CAL | CAK | 173.4° | 179.9° |
| CAN | CAO | CAU | CAS | 0.6° | 0.0° |
| CAO | CAN | CAQ | CAR | 0.5° | 0.0° |
| CAO | CAN | CAQ | OAJ | 178.5° | 179.9° |
| CAN | CAO | OAP | H19 | 2.8° | 89.9° |
| CAN | CAL | CAK | CAI | 5.3° | 0.1° |
| CAL | CAN | CAQ | CAR | 177.5° | 180.0° |
| CAL | CAN | CAQ | OAJ | 1.5° | 0.1° |
| CAN | CAL | CAK | H11 | 174.7° | 180.0° |
| CAK | CAL | CAN | CAQ | 3.5° | 0.1° |
| CAL | CAK | CAI | H11 | 180.0° | 179.9° |
| CAL | CAK | CAI | OAJ | 2.4° | 0.0° |
| CAL | CAK | CAI | CAH | 179.4° | 179.7° |
| CAU | CAS | OAT | CAR | 179.1° | 179.9° |
| CAU | CAS | CAR | CAQ | 0.1° | 0.0° |
| CAS | CAU | C1 | H6 | 10.2° | 165.0° |
| CAU | CAS | CAR | H12 | 179.9° | 179.9° |
| CAU | CAS | OAT | H20 | 180.0° | 90.0° |
| CAN | CAQ | CAR | CAS | 0.0° | 0.0° |
| CAN | CAQ | CAR | OAJ | 179.0° | 179.9° |
| CAN | CAQ | OAJ | CAI | 4.6° | 0.0° |
| CAN | CAQ | CAR | H12 | 180.0° | 179.9° |
| CAK | CAI | OAJ | CAQ | 2.7° | 0.0° |
| CAK | CAI | OAJ | CAH | 178.5° | 179.7° |
| CAK | CAI | CAH | CAG | 30.9° | 0.3° |
| CAK | CAI | CAH | CAA | 151.8° | 179.7° |
| OAT | CAS | CAR | CAQ | 179.0° | 180.0° |
| OAT | CAS | CAR | H12 | 1.0° | 0.0° |
| CAS | CAR | CAQ | H12 | 180.0° | 180.0° |
| CAS | CAR | CAQ | OAJ | 178.9° | 180.0° |
| CAR | CAS | OAT | H20 | 0.9° | 90.0° |
| CAR | CAQ | OAJ | CAI | 174.4° | 179.9° |
| CAQ | OAJ | CAI | CAH | 175.7° | 179.7° |
| OAJ | CAQ | CAR | H12 | 1.1° | 0.0° |
| OAJ | CAI | CAH | CAG | 147.5° | 180.0° |
| OAJ | CAI | CAH | CAA | 29.9° | 0.6° |
| OAJ | CAI | CAK | H11 | 177.7° | 179.9° |
| CAI | CAH | CAG | CAA | 177.3° | 179.4° |
| CAI | CAH | CAG | CAF | 178.4° | 180.0° |
| CAI | CAH | CAA | CAB | 178.3° | 180.0° |
| CAI | CAH | CAA | H8 | 1.7° | 0.3° |
| CAI | CAH | CAG | H10 | 1.5° | 0.3° |
| CAH | CAI | CAK | H11 | 0.6° | 0.4° |
| CAH | CAG | CAF | H10 | 180.0° | 179.7° |
| CAG | CAH | CAA | CAB | 0.8° | 0.6° |
| CAH | CAG | CAF | CAD | 1.5° | 0.3° |
| CAG | CAH | CAA | H8 | 179.2° | 179.7° |
| CAH | CAG | CAF | H9 | 178.5° | 179.7° |
| CAA | CAH | CAG | CAF | 1.1° | 0.6° |
| CAH | CAA | CAB | H8 | 180.0° | 179.7° |
| CAH | CAA | CAB | CAD | 0.9° | 0.3° |
| CAH | CAA | CAB | OAC | 179.5° | 179.7° |
| CAA | CAH | CAG | H10 | 178.9° | 179.7° |
| CAG | CAF | CAD | H9 | 180.0° | 180.0° |
| CAG | CAF | CAD | CAB | 1.5° | 0.0° |
| CAG | CAF | CAD | OAE | 178.4° | 180.0° |
| CAA | CAB | CAD | CAF | 1.2° | 0.0° |
| CAA | CAB | CAD | OAC | 179.6° | 180.0° |
| CAA | CAB | CAD | OAE | 178.6° | 179.9° |
| CAA | CAB | OAC | H17 | 180.0° | 90.0° |
| CAF | CAD | CAB | OAE | 179.9° | 180.0° |
| CAF | CAD | CAB | OAC | 179.1° | 180.0° |
| CAD | CAF | CAG | H10 | 178.5° | 180.0° |
| CAF | CAD | OAE | H18 | 180.0° | 90.0° |
| CAD | CAB | CAA | H8 | 179.1° | 180.0° |
| CAB | CAD | CAF | H9 | 178.5° | 180.0° |
| CAD | CAB | OAC | H17 | 0.4° | 90.0° |
| CAB | CAD | OAE | H18 | 0.1° | 90.0° |
| OAC | CAB | CAD | OAE | 1.0° | 0.0° |
| OAC | CAB | CAA | H8 | 0.5° | 0.0° |
| OAE | CAD | CAF | H9 | 1.6° | 0.0° |
| H1 | C4 | C5 | H2 | 178.1° | 177.8° |
| H1 | C4 | C3 | H5 | 170.5° | 177.2° |
| H1 | C4 | O4 | H15 | 60.6° | 60.2° |
| H2 | C5 | C6 | H3 | 28.3° | 65.0° |
| H2 | C5 | C6 | H4 | 148.6° | 174.9° |
| H3 | C6 | O6 | H16 | 60.2° | 59.9° |
| H4 | C6 | O6 | H16 | 60.2° | 60.0° |
| H5 | C3 | C2 | H7 | 170.4° | 177.1° |
| H5 | C3 | O3 | H14 | 58.5° | 60.2° |
| H6 | C1 | C2 | H7 | 174.5° | 177.7° |
| H7 | C2 | O2 | H13 | 58.0° | 60.1° |
| H9 | CAF | CAG | H10 | 1.5° | 0.0° |
