H48
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAM | sing | 1.36Å | 1.34Å | |
| CAM | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| CAM | CAG | sing | 1.39Å | 1.39Å | Aromatic |
| CAF | CAJ | sing | 1.38Å | 1.38Å | Aromatic |
| CAG | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAO | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAO | sing | 1.38Å | 1.40Å | Aromatic |
| CAO | CAP | sing | 1.51Å | 1.40Å | |
| CAH | CAD | doub | 1.38Å | 1.41Å | Aromatic |
| CAH | CAN | sing | 1.38Å | 1.40Å | Aromatic |
| CAP | CAN | sing | 1.51Å | 1.41Å | |
| CAP | CAA | sing | 1.53Å | 1.51Å | |
| CAD | CAL | sing | 1.39Å | 1.40Å | Aromatic |
| CAN | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | OAB | sing | 1.36Å | 1.38Å | |
| CAL | CAE | doub | 1.39Å | 1.40Å | Aromatic |
| CAI | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAD | H4 | sing | 1.08Å | 1.08Å | |
| CAE | H5 | sing | 1.08Å | 1.08Å | |
| CAF | H6 | sing | 1.08Å | 1.08Å | |
| CAG | H7 | sing | 1.08Å | 1.08Å | |
| CAH | H8 | sing | 1.08Å | 1.08Å | |
| CAI | H9 | sing | 1.08Å | 1.08Å | |
| CAJ | H10 | sing | 1.08Å | 1.08Å | |
| CAK | H11 | sing | 1.08Å | 1.08Å | |
| CAP | H12 | sing | 1.09Å | 1.10Å | |
| OAB | H13 | sing | 0.97Å | 0.95Å | |
| OAC | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | CAM | CAF | 118.7° | 120.1° |
| OAC | CAM | CAG | 120.7° | 120.0° |
| CAM | OAC | H14 | 109.5° | 114.1° |
| CAF | CAM | CAG | 120.6° | 119.9° |
| CAM | CAF | CAJ | 120.3° | 120.0° |
| CAM | CAF | H6 | 119.9° | 120.0° |
| CAM | CAG | CAK | 118.8° | 119.9° |
| CAM | CAG | H7 | 120.6° | 120.0° |
| CAF | CAJ | CAO | 120.0° | 120.0° |
| CAJ | CAF | H6 | 119.8° | 120.0° |
| CAF | CAJ | H10 | 120.0° | 120.0° |
| CAG | CAK | CAO | 120.6° | 120.0° |
| CAK | CAG | H7 | 120.6° | 120.0° |
| CAG | CAK | H11 | 119.7° | 120.0° |
| CAJ | CAO | CAK | 119.6° | 120.1° |
| CAJ | CAO | CAP | 118.2° | 119.9° |
| CAO | CAJ | H10 | 120.0° | 120.0° |
| CAK | CAO | CAP | 122.2° | 119.9° |
| CAO | CAK | H11 | 119.7° | 120.0° |
| CAO | CAP | CAN | 112.2° | 109.5° |
| CAO | CAP | CAA | 109.8° | 109.5° |
| CAO | CAP | H12 | 108.4° | 109.5° |
| CAD | CAH | CAN | 120.2° | 120.1° |
| CAH | CAD | CAL | 120.2° | 119.9° |
| CAH | CAD | H4 | 119.9° | 120.0° |
| CAD | CAH | H8 | 119.9° | 119.9° |
| CAH | CAN | CAP | 122.2° | 120.0° |
| CAH | CAN | CAI | 119.4° | 120.1° |
| CAN | CAH | H8 | 119.9° | 120.0° |
| CAN | CAP | CAA | 111.1° | 109.5° |
| CAP | CAN | CAI | 118.4° | 119.9° |
| CAN | CAP | H12 | 108.2° | 109.4° |
| CAP | CAA | H1 | 109.5° | 109.5° |
| CAP | CAA | H2 | 109.5° | 109.5° |
| CAP | CAA | H3 | 109.5° | 109.5° |
| CAA | CAP | H12 | 107.0° | 109.5° |
| CAD | CAL | OAB | 120.9° | 120.1° |
| CAD | CAL | CAE | 119.3° | 119.9° |
| CAL | CAD | H4 | 119.9° | 120.1° |
| CAN | CAI | CAE | 120.8° | 120.0° |
| CAN | CAI | H9 | 119.6° | 120.0° |
| OAB | CAL | CAE | 119.8° | 120.0° |
| CAL | OAB | H13 | 109.5° | 114.0° |
| CAL | CAE | CAI | 120.1° | 119.9° |
| CAL | CAE | H5 | 120.0° | 120.0° |
| CAI | CAE | H5 | 119.9° | 120.0° |
| CAE | CAI | H9 | 119.6° | 120.0° |
| H1 | CAA | H2 | 109.4° | 109.5° |
| H1 | CAA | H3 | 109.4° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAM | CAF | CAG | 179.6° | 180.0° |
| OAC | CAM | CAF | CAJ | 179.9° | 180.0° |
| OAC | CAM | CAG | CAK | 180.0° | 179.4° |
| OAC | CAM | CAF | H6 | 0.1° | 0.3° |
| OAC | CAM | CAG | H7 | 0.1° | 0.3° |
| CAM | CAF | CAJ | H6 | 180.0° | 179.7° |
| CAF | CAM | CAG | CAK | 0.4° | 0.6° |
| CAM | CAF | CAJ | CAO | 0.6° | 0.3° |
| CAF | CAM | CAG | H7 | 179.6° | 179.7° |
| CAM | CAF | CAJ | H10 | 179.5° | 179.7° |
| CAF | CAM | OAC | H14 | 180.0° | 90.0° |
| CAG | CAM | CAF | CAJ | 0.2° | 0.0° |
| CAM | CAG | CAK | H7 | 180.0° | 179.1° |
| CAM | CAG | CAK | CAO | 0.9° | 0.9° |
| CAG | CAM | CAF | H6 | 179.7° | 179.7° |
| CAM | CAG | CAK | H11 | 179.1° | 179.2° |
| CAG | CAM | OAC | H14 | 0.4° | 90.0° |
| CAF | CAJ | CAO | H10 | 180.0° | 179.9° |
| CAF | CAJ | CAO | CAK | 1.0° | 0.0° |
| CAF | CAJ | CAO | CAP | 179.8° | 180.0° |
| CAG | CAK | CAO | CAJ | 1.2° | 0.6° |
| CAG | CAK | CAO | H11 | 180.0° | 179.9° |
| CAG | CAK | CAO | CAP | 180.0° | 179.4° |
| CAJ | CAO | CAK | CAP | 178.8° | 179.9° |
| CAJ | CAO | CAP | CAN | 86.6° | 111.9° |
| CAJ | CAO | CAP | CAA | 149.4° | 128.1° |
| CAO | CAJ | CAF | H6 | 179.4° | 180.0° |
| CAJ | CAO | CAK | H11 | 178.8° | 179.5° |
| CAJ | CAO | CAP | H12 | 32.8° | 8.1° |
| CAK | CAO | CAP | CAN | 94.6° | 68.1° |
| CAK | CAO | CAP | CAA | 29.4° | 52.0° |
| CAO | CAK | CAG | H7 | 179.1° | 180.0° |
| CAK | CAO | CAJ | H10 | 179.0° | 179.9° |
| CAK | CAO | CAP | H12 | 146.0° | 172.0° |
| CAO | CAP | CAN | CAH | 36.7° | 112.0° |
| CAO | CAP | CAN | CAA | 123.4° | 120.0° |
| CAO | CAP | CAN | H12 | 119.5° | 120.0° |
| CAO | CAP | CAA | H12 | 117.4° | 120.0° |
| CAO | CAP | CAN | CAI | 143.1° | 67.9° |
| CAO | CAP | CAA | H1 | 180.0° | 180.0° |
| CAO | CAP | CAA | H2 | 60.0° | 60.0° |
| CAO | CAP | CAA | H3 | 60.0° | 60.0° |
| CAP | CAO | CAJ | H10 | 0.2° | 0.0° |
| CAP | CAO | CAK | H11 | 0.0° | 0.5° |
| CAD | CAH | CAN | H8 | 180.0° | 179.9° |
| CAD | CAH | CAN | CAP | 179.5° | 180.0° |
| CAH | CAD | CAL | H4 | 180.0° | 179.7° |
| CAD | CAH | CAN | CAI | 0.3° | 0.0° |
| CAH | CAD | CAL | OAB | 179.9° | 179.7° |
| CAH | CAD | CAL | CAE | 0.3° | 0.3° |
| CAH | CAN | CAP | CAI | 179.8° | 180.0° |
| CAH | CAN | CAP | CAA | 86.6° | 127.9° |
| CAN | CAH | CAD | CAL | 0.1° | 0.0° |
| CAH | CAN | CAI | CAE | 0.2° | 0.2° |
| CAN | CAH | CAD | H4 | 180.0° | 179.7° |
| CAH | CAN | CAI | H9 | 179.8° | 179.7° |
| CAH | CAN | CAP | H12 | 156.2° | 8.0° |
| CAN | CAP | CAA | H12 | 117.9° | 119.9° |
| CAP | CAN | CAI | CAE | 179.6° | 179.8° |
| CAN | CAP | CAA | H1 | 55.3° | 60.0° |
| CAN | CAP | CAA | H2 | 64.7° | 180.0° |
| CAN | CAP | CAA | H3 | 175.3° | 60.1° |
| CAP | CAN | CAH | H8 | 0.5° | 0.0° |
| CAP | CAN | CAI | H9 | 0.4° | 0.2° |
| CAA | CAP | CAN | CAI | 93.6° | 52.1° |
| CAP | CAA | H1 | H2 | 120.0° | 120.0° |
| CAP | CAA | H1 | H3 | 120.0° | 120.0° |
| CAP | CAA | H2 | H3 | 120.0° | 120.0° |
| CAD | CAL | OAB | CAE | 179.6° | 179.9° |
| CAD | CAL | CAE | CAI | 0.4° | 0.5° |
| CAD | CAL | CAE | H5 | 179.6° | 179.9° |
| CAL | CAD | CAH | H8 | 179.9° | 180.0° |
| CAD | CAL | OAB | H13 | 180.0° | 90.0° |
| CAN | CAI | CAE | CAL | 0.2° | 0.5° |
| CAN | CAI | CAE | H9 | 180.0° | 180.0° |
| CAN | CAI | CAE | H5 | 179.8° | 179.9° |
| CAI | CAN | CAH | H8 | 179.7° | 180.0° |
| CAI | CAN | CAP | H12 | 23.6° | 172.0° |
| OAB | CAL | CAE | CAI | 180.0° | 179.4° |
| OAB | CAL | CAD | H4 | 0.1° | 0.0° |
| OAB | CAL | CAE | H5 | 0.0° | 0.1° |
| CAL | CAE | CAI | H5 | 180.0° | 179.6° |
| CAE | CAL | CAD | H4 | 179.7° | 179.9° |
| CAL | CAE | CAI | H9 | 179.8° | 179.5° |
| CAE | CAL | OAB | H13 | 0.4° | 90.0° |
| H1 | CAA | H2 | H3 | 119.9° | 120.0° |
| H1 | CAA | CAP | H12 | 62.6° | 60.0° |
| H2 | CAA | CAP | H12 | 177.4° | 60.0° |
| H3 | CAA | CAP | H12 | 57.4° | 180.0° |
| H4 | CAD | CAH | H8 | 0.1° | 0.4° |
| H5 | CAE | CAI | H9 | 0.2° | 0.1° |
| H6 | CAF | CAJ | H10 | 0.5° | 0.0° |
| H7 | CAG | CAK | H11 | 0.9° | 0.1° |
