1HR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAJ | doub | 1.21Å | 1.25Å | |
| CAJ | CAO | sing | 1.51Å | 1.53Å | |
| CAJ | OAA | sing | 1.34Å | 1.25Å | |
| CAO | CAP | sing | 1.53Å | 1.53Å | |
| CAO | CAI | sing | 1.53Å | 1.51Å | |
| OAB | CAK | doub | 1.21Å | 1.23Å | |
| CAK | CAP | sing | 1.51Å | 1.53Å | |
| CAK | CAN | sing | 1.47Å | 1.40Å | |
| CAP | CAI | sing | 1.53Å | 1.52Å | |
| CAG | CAN | doub | 1.40Å | 1.39Å | Aromatic |
| CAG | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | CAH | sing | 1.40Å | 1.39Å | Aromatic |
| CAF | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAM | doub | 1.38Å | 1.40Å | Aromatic |
| CAL | CAM | sing | 1.39Å | 1.39Å | Aromatic |
| CAL | CLA | sing | 1.74Å | 1.73Å | |
| CAM | CL2 | sing | 1.74Å | 1.73Å | |
| OAA | H1 | sing | 0.97Å | 0.95Å | |
| CAO | H2 | sing | 1.09Å | 1.10Å | |
| CAI | H3 | sing | 1.09Å | 1.10Å | |
| CAI | H4 | sing | 1.09Å | 1.10Å | |
| CAP | H5 | sing | 1.09Å | 1.10Å | |
| CAH | H6 | sing | 1.08Å | 1.08Å | |
| CAF | H7 | sing | 1.08Å | 1.08Å | |
| CAG | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | CAJ | CAO | 117.0° | 120.0° |
| OAC | CAJ | OAA | 125.7° | 120.0° |
| CAO | CAJ | OAA | 117.3° | 120.0° |
| CAJ | CAO | CAP | 117.6° | 117.5° |
| CAJ | CAO | CAI | 113.7° | 117.5° |
| CAJ | CAO | H2 | 117.4° | 115.6° |
| CAJ | OAA | H1 | 109.5° | 117.0° |
| CAP | CAO | CAI | 60.2° | 60.0° |
| CAO | CAP | CAK | 115.1° | 117.5° |
| CAO | CAP | CAI | 59.4° | 60.0° |
| CAP | CAO | H2 | 117.5° | 117.5° |
| CAO | CAP | H5 | 118.6° | 117.5° |
| CAO | CAI | CAP | 60.4° | 60.0° |
| CAI | CAO | H2 | 117.8° | 117.5° |
| CAO | CAI | H3 | 119.9° | 117.5° |
| CAO | CAI | H4 | 119.9° | 117.5° |
| OAB | CAK | CAP | 120.7° | 120.0° |
| OAB | CAK | CAN | 121.0° | 120.0° |
| CAP | CAK | CAN | 118.4° | 120.0° |
| CAK | CAP | CAI | 113.0° | 117.5° |
| CAK | CAP | H5 | 118.6° | 115.5° |
| CAK | CAN | CAG | 118.0° | 120.2° |
| CAK | CAN | CAH | 122.6° | 120.2° |
| CAP | CAI | H3 | 119.9° | 117.5° |
| CAP | CAI | H4 | 120.0° | 117.5° |
| CAI | CAP | H5 | 118.6° | 117.5° |
| CAN | CAG | CAF | 121.0° | 119.9° |
| CAG | CAN | CAH | 119.4° | 119.7° |
| CAN | CAG | H8 | 119.5° | 120.1° |
| CAG | CAF | CAL | 119.6° | 120.2° |
| CAG | CAF | H7 | 120.2° | 119.9° |
| CAF | CAG | H8 | 119.5° | 120.1° |
| CAN | CAH | CAM | 119.6° | 119.9° |
| CAN | CAH | H6 | 120.2° | 120.0° |
| CAF | CAL | CAM | 119.9° | 120.4° |
| CAF | CAL | CLA | 120.3° | 119.8° |
| CAL | CAF | H7 | 120.2° | 119.9° |
| CAH | CAM | CAL | 120.6° | 120.1° |
| CAH | CAM | CL2 | 121.2° | 120.0° |
| CAM | CAH | H6 | 120.2° | 120.1° |
| CAM | CAL | CLA | 119.8° | 119.8° |
| CAL | CAM | CL2 | 118.2° | 120.0° |
| H3 | CAI | H4 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAJ | CAO | OAA | 180.0° | 180.0° |
| OAC | CAJ | CAO | CAP | 131.8° | 0.0° |
| OAC | CAJ | CAO | CAI | 160.7° | 68.6° |
| OAC | CAJ | OAA | H1 | 0.0° | 0.0° |
| OAC | CAJ | CAO | H2 | 17.3° | 145.6° |
| CAJ | CAO | CAP | CAI | 103.0° | 107.5° |
| CAJ | CAO | CAP | H2 | 149.1° | 145.0° |
| CAJ | CAO | CAI | H2 | 143.2° | 145.0° |
| CAJ | CAO | CAP | CAK | 154.1° | 145.0° |
| CAO | CAJ | OAA | H1 | 180.0° | 180.0° |
| CAJ | CAO | CAI | H3 | 141.1° | 145.0° |
| CAJ | CAO | CAI | H4 | 0.3° | 0.0° |
| CAJ | CAO | CAP | H5 | 5.2° | 0.0° |
| OAA | CAJ | CAO | CAP | 48.2° | 179.9° |
| OAA | CAJ | CAO | CAI | 19.3° | 111.4° |
| OAA | CAJ | CAO | H2 | 162.7° | 34.3° |
| CAP | CAO | CAI | H2 | 107.5° | 107.5° |
| CAO | CAP | CAK | OAB | 37.7° | 30.0° |
| CAO | CAP | CAK | CAI | 65.6° | 68.6° |
| CAO | CAP | CAK | H5 | 148.9° | 145.7° |
| CAO | CAP | CAK | CAN | 144.3° | 150.0° |
| CAO | CAP | CAI | H5 | 108.1° | 107.5° |
| CAP | CAO | CAI | H3 | 109.6° | 107.5° |
| CAP | CAO | CAI | H4 | 109.6° | 107.5° |
| CAO | CAI | H3 | H4 | 144.5° | 145.7° |
| OAB | CAK | CAP | CAN | 178.0° | 180.0° |
| OAB | CAK | CAP | CAI | 28.0° | 38.7° |
| OAB | CAK | CAN | CAG | 2.2° | 179.7° |
| OAB | CAK | CAN | CAH | 177.4° | 0.0° |
| OAB | CAK | CAP | H5 | 173.4° | 175.7° |
| CAK | CAP | CAI | H5 | 145.4° | 145.0° |
| CAP | CAK | CAN | CAG | 179.8° | 0.3° |
| CAP | CAK | CAN | CAH | 0.6° | 180.0° |
| CAK | CAP | CAO | H2 | 5.0° | 0.1° |
| CAK | CAP | CAI | H3 | 3.1° | 0.0° |
| CAK | CAP | CAI | H4 | 143.9° | 145.0° |
| CAN | CAK | CAP | CAI | 150.0° | 141.4° |
| CAK | CAN | CAG | CAH | 179.6° | 179.7° |
| CAK | CAN | CAG | CAF | 179.8° | 179.7° |
| CAK | CAN | CAH | CAM | 179.7° | 180.0° |
| CAN | CAK | CAP | H5 | 4.6° | 4.3° |
| CAK | CAN | CAH | H6 | 0.3° | 0.0° |
| CAK | CAN | CAG | H8 | 0.2° | 0.0° |
| CAP | CAI | H3 | H4 | 144.5° | 145.7° |
| CAN | CAG | CAF | H8 | 180.0° | 179.7° |
| CAN | CAG | CAF | CAL | 0.3° | 0.6° |
| CAG | CAN | CAH | CAM | 0.1° | 0.3° |
| CAG | CAN | CAH | H6 | 179.9° | 179.7° |
| CAN | CAG | CAF | H7 | 179.7° | 179.7° |
| CAF | CAG | CAN | CAH | 0.2° | 0.6° |
| CAG | CAF | CAL | H7 | 180.0° | 179.7° |
| CAG | CAF | CAL | CAM | 0.2° | 0.3° |
| CAG | CAF | CAL | CLA | 179.8° | 179.7° |
| CAN | CAH | CAM | H6 | 180.0° | 180.0° |
| CAN | CAH | CAM | CAL | 0.0° | 0.0° |
| CAN | CAH | CAM | CL2 | 180.0° | 180.0° |
| CAH | CAN | CAG | H8 | 179.8° | 179.7° |
| CAF | CAL | CAM | CAH | 0.1° | 0.0° |
| CAF | CAL | CAM | CLA | 180.0° | 180.0° |
| CAF | CAL | CAM | CL2 | 179.9° | 180.0° |
| CAL | CAF | CAG | H8 | 179.7° | 179.7° |
| CAH | CAM | CAL | CL2 | 180.0° | 179.9° |
| CAH | CAM | CAL | CLA | 179.9° | 179.9° |
| CAL | CAM | CAH | H6 | 179.9° | 180.0° |
| CAM | CAL | CAF | H7 | 179.8° | 180.0° |
| CLA | CAL | CAM | CL2 | 0.0° | 0.0° |
| CLA | CAL | CAF | H7 | 0.2° | 0.0° |
| CL2 | CAM | CAH | H6 | 0.0° | 0.0° |
| H2 | CAO | CAI | H3 | 2.1° | 0.0° |
| H2 | CAO | CAI | H4 | 142.9° | 145.0° |
| H2 | CAO | CAP | H5 | 143.9° | 145.0° |
| H3 | CAI | CAP | H5 | 142.4° | 145.0° |
| H4 | CAI | CAP | H5 | 1.5° | 0.1° |
| H7 | CAF | CAG | H8 | 0.3° | 0.0° |
