5RO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAI | doub | 1.21Å | 1.24Å | |
| CAA | CAI | sing | 1.51Å | 1.53Å | |
| CAI | CAK | sing | 1.42Å | 1.34Å | |
| CAF | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAL | sing | 1.39Å | 1.34Å | Aromatic |
| CAK | CAL | sing | 1.48Å | 1.34Å | Aromatic |
| CAK | CAG | doub | 1.38Å | 1.33Å | Aromatic |
| CAD | CAE | sing | 1.39Å | 1.39Å | Aromatic |
| CAL | CAM | doub | 1.40Å | 1.34Å | Aromatic |
| CAG | NAH | sing | 1.35Å | 1.33Å | Aromatic |
| CAE | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAM | NAH | sing | 1.38Å | 1.33Å | Aromatic |
| CAM | CAJ | sing | 1.39Å | 1.33Å | Aromatic |
| CAJ | CAB | sing | 1.51Å | 1.39Å | |
| CAB | H1 | sing | 1.09Å | 1.10Å | |
| CAB | H2 | sing | 1.09Å | 1.10Å | |
| CAB | H3 | sing | 1.09Å | 1.10Å | |
| CAE | H4 | sing | 1.08Å | 1.08Å | |
| CAD | H5 | sing | 1.08Å | 1.08Å | |
| CAF | H6 | sing | 1.08Å | 1.08Å | |
| NAH | H7 | sing | 0.97Å | 1.00Å | |
| CAG | H8 | sing | 1.08Å | 1.08Å | |
| CAA | H9 | sing | 1.09Å | 1.10Å | |
| CAA | H10 | sing | 1.09Å | 1.10Å | |
| CAA | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | CAI | CAA | 121.1° | 120.0° |
| OAC | CAI | CAK | 123.9° | 120.0° |
| CAA | CAI | CAK | 115.0° | 120.0° |
| CAI | CAA | H9 | 109.5° | 109.5° |
| CAI | CAA | H10 | 109.5° | 109.5° |
| CAI | CAA | H11 | 109.4° | 109.5° |
| CAI | CAK | CAL | 127.9° | 126.9° |
| CAI | CAK | CAG | 123.0° | 126.9° |
| CAD | CAF | CAL | 120.4° | 119.7° |
| CAF | CAD | CAE | 118.9° | 120.3° |
| CAF | CAD | H5 | 120.6° | 119.9° |
| CAD | CAF | H6 | 119.8° | 120.1° |
| CAF | CAL | CAK | 132.7° | 134.0° |
| CAF | CAL | CAM | 120.5° | 120.2° |
| CAL | CAF | H6 | 119.8° | 120.3° |
| CAL | CAK | CAG | 109.0° | 106.2° |
| CAK | CAL | CAM | 106.8° | 105.8° |
| CAK | CAG | NAH | 107.4° | 109.6° |
| CAK | CAG | H8 | 126.3° | 125.2° |
| CAD | CAE | CAJ | 118.4° | 120.6° |
| CAD | CAE | H4 | 120.8° | 119.7° |
| CAE | CAD | H5 | 120.6° | 119.8° |
| CAL | CAM | NAH | 108.1° | 107.7° |
| CAL | CAM | CAJ | 121.6° | 119.3° |
| CAG | NAH | CAM | 108.7° | 110.7° |
| CAG | NAH | H7 | 125.7° | 124.6° |
| NAH | CAG | H8 | 126.3° | 125.2° |
| CAE | CAJ | CAM | 120.2° | 120.0° |
| CAE | CAJ | CAB | 119.6° | 120.0° |
| CAJ | CAE | H4 | 120.8° | 119.7° |
| NAH | CAM | CAJ | 130.4° | 133.0° |
| CAM | NAH | H7 | 125.6° | 124.7° |
| CAM | CAJ | CAB | 120.1° | 120.0° |
| CAJ | CAB | H1 | 109.5° | 109.5° |
| CAJ | CAB | H2 | 109.5° | 109.5° |
| CAJ | CAB | H3 | 109.5° | 109.5° |
| H1 | CAB | H2 | 109.5° | 109.4° |
| H1 | CAB | H3 | 109.4° | 109.5° |
| H2 | CAB | H3 | 109.5° | 109.5° |
| H9 | CAA | H10 | 109.4° | 109.5° |
| H9 | CAA | H11 | 109.5° | 109.5° |
| H10 | CAA | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAI | CAA | CAK | 179.5° | 180.0° |
| OAC | CAI | CAK | CAL | 7.2° | 0.0° |
| OAC | CAI | CAK | CAG | 172.6° | 179.9° |
| OAC | CAI | CAA | H9 | 0.0° | 180.0° |
| OAC | CAI | CAA | H10 | 120.0° | 60.0° |
| OAC | CAI | CAA | H11 | 120.0° | 60.0° |
| CAA | CAI | CAK | CAL | 173.4° | 180.0° |
| CAA | CAI | CAK | CAG | 6.8° | 0.1° |
| CAI | CAA | H9 | H10 | 120.0° | 120.0° |
| CAI | CAA | H9 | H11 | 120.0° | 120.0° |
| CAI | CAA | H10 | H11 | 120.0° | 120.0° |
| CAI | CAK | CAL | CAF | 0.6° | 0.0° |
| CAI | CAK | CAL | CAG | 179.8° | 179.9° |
| CAI | CAK | CAL | CAM | 179.9° | 179.8° |
| CAI | CAK | CAG | NAH | 179.9° | 179.8° |
| CAI | CAK | CAG | H8 | 0.1° | 0.0° |
| CAK | CAI | CAA | H9 | 179.5° | 0.0° |
| CAK | CAI | CAA | H10 | 60.6° | 120.0° |
| CAK | CAI | CAA | H11 | 59.4° | 120.0° |
| CAD | CAF | CAL | H6 | 180.0° | 180.0° |
| CAD | CAF | CAL | CAK | 179.8° | 180.0° |
| CAF | CAD | CAE | H5 | 180.0° | 179.9° |
| CAD | CAF | CAL | CAM | 0.3° | 0.1° |
| CAF | CAD | CAE | CAJ | 0.4° | 0.0° |
| CAF | CAD | CAE | H4 | 179.6° | 179.9° |
| CAF | CAL | CAK | CAM | 179.5° | 179.8° |
| CAF | CAL | CAK | CAG | 179.6° | 179.9° |
| CAL | CAF | CAD | CAE | 0.4° | 0.1° |
| CAF | CAL | CAM | NAH | 179.7° | 180.0° |
| CAF | CAL | CAM | CAJ | 0.3° | 0.4° |
| CAL | CAF | CAD | H5 | 179.6° | 180.0° |
| CAL | CAK | CAG | NAH | 0.0° | 0.3° |
| CAK | CAL | CAM | NAH | 0.1° | 0.1° |
| CAK | CAL | CAM | CAJ | 179.9° | 179.7° |
| CAK | CAL | CAF | H6 | 0.2° | 0.0° |
| CAL | CAK | CAG | H8 | 180.0° | 179.9° |
| CAG | CAK | CAL | CAM | 0.1° | 0.3° |
| CAK | CAG | NAH | H8 | 180.0° | 179.8° |
| CAK | CAG | NAH | CAM | 0.0° | 0.2° |
| CAK | CAG | NAH | H7 | 180.0° | 179.8° |
| CAD | CAE | CAJ | H4 | 180.0° | 179.9° |
| CAD | CAE | CAJ | CAM | 0.3° | 0.2° |
| CAD | CAE | CAJ | CAB | 179.9° | 180.0° |
| CAE | CAD | CAF | H6 | 179.6° | 180.0° |
| CAL | CAM | NAH | CAG | 0.0° | 0.0° |
| CAL | CAM | CAJ | CAE | 0.2° | 0.5° |
| CAL | CAM | NAH | CAJ | 179.9° | 179.5° |
| CAL | CAM | CAJ | CAB | 180.0° | 179.8° |
| CAM | CAL | CAF | H6 | 179.7° | 179.8° |
| CAL | CAM | NAH | H7 | 180.0° | 180.0° |
| CAG | NAH | CAM | H7 | 180.0° | 180.0° |
| CAG | NAH | CAM | CAJ | 179.9° | 179.5° |
| CAE | CAJ | CAM | NAH | 179.7° | 179.9° |
| CAE | CAJ | CAM | CAB | 179.8° | 179.8° |
| CAE | CAJ | CAB | H1 | 90.1° | 90.0° |
| CAE | CAJ | CAB | H2 | 149.9° | 150.0° |
| CAE | CAJ | CAB | H3 | 29.9° | 30.0° |
| CAJ | CAE | CAD | H5 | 179.6° | 180.0° |
| NAH | CAM | CAJ | CAB | 0.1° | 0.3° |
| CAM | NAH | CAG | H8 | 180.0° | 180.0° |
| CAM | CAJ | CAB | H1 | 90.1° | 90.2° |
| CAM | CAJ | CAB | H2 | 29.9° | 29.7° |
| CAM | CAJ | CAB | H3 | 149.9° | 149.7° |
| CAM | CAJ | CAE | H4 | 179.7° | 179.8° |
| CAJ | CAM | NAH | H7 | 0.1° | 0.5° |
| CAJ | CAB | H1 | H2 | 120.0° | 120.0° |
| CAJ | CAB | H1 | H3 | 120.0° | 120.0° |
| CAJ | CAB | H2 | H3 | 120.0° | 120.0° |
| CAB | CAJ | CAE | H4 | 0.1° | 0.1° |
| H1 | CAB | H2 | H3 | 120.0° | 120.0° |
| H4 | CAE | CAD | H5 | 0.4° | 0.0° |
| H5 | CAD | CAF | H6 | 0.4° | 0.0° |
| H7 | NAH | CAG | H8 | 0.0° | 0.0° |
| H9 | CAA | H10 | H11 | 120.0° | 120.0° |
