3O5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAK | CAL | sing | 1.53Å | 1.49Å | |
| CAK | CAJ | sing | 1.53Å | 1.49Å | |
| CAL | OAM | sing | 1.43Å | 1.37Å | |
| CAI | CAJ | sing | 1.53Å | 1.50Å | |
| CAI | NAB | sing | 1.47Å | 1.43Å | |
| OAM | CAN | sing | 1.36Å | 1.38Å | |
| CAN | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| CAN | CAE | sing | 1.39Å | 1.39Å | Aromatic |
| CAF | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAO | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAO | sing | 1.38Å | 1.40Å | Aromatic |
| CAO | SAP | sing | 1.76Å | 1.77Å | |
| NAA | SAP | sing | 1.66Å | 1.64Å | |
| OAD | SAP | doub | 1.42Å | 1.48Å | |
| SAP | OAC | doub | 1.42Å | 1.49Å | |
| CAE | H1 | sing | 1.08Å | 1.08Å | |
| CAG | H2 | sing | 1.08Å | 1.08Å | |
| NAA | H3 | sing | 0.97Å | 1.00Å | |
| NAA | H4 | sing | 0.97Å | 1.00Å | |
| CAH | H5 | sing | 1.08Å | 1.08Å | |
| CAF | H6 | sing | 1.08Å | 1.08Å | |
| CAL | H7 | sing | 1.09Å | 1.10Å | |
| CAL | H8 | sing | 1.09Å | 1.10Å | |
| CAK | H9 | sing | 1.09Å | 1.10Å | |
| CAK | H10 | sing | 1.09Å | 1.10Å | |
| CAJ | H11 | sing | 1.09Å | 1.10Å | |
| CAI | H12 | sing | 1.09Å | 1.10Å | |
| NAB | H13 | sing | 1.01Å | 1.00Å | |
| NAB | H14 | sing | 1.01Å | 1.00Å | |
| CAJ | H15 | sing | 1.09Å | 1.10Å | |
| CAI | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAL | CAK | CAJ | 118.4° | 109.5° |
| CAK | CAL | OAM | 117.9° | 109.5° |
| CAK | CAL | H7 | 107.3° | 109.5° |
| CAK | CAL | H8 | 107.3° | 109.4° |
| CAL | CAK | H9 | 107.2° | 109.5° |
| CAL | CAK | H10 | 107.2° | 109.5° |
| CAK | CAJ | CAI | 119.0° | 109.5° |
| CAJ | CAK | H9 | 107.2° | 109.5° |
| CAJ | CAK | H10 | 107.2° | 109.4° |
| CAK | CAJ | H11 | 107.0° | 109.5° |
| CAK | CAJ | H15 | 107.1° | 109.5° |
| CAL | OAM | CAN | 120.4° | 117.0° |
| OAM | CAL | H7 | 107.3° | 109.5° |
| OAM | CAL | H8 | 107.3° | 109.4° |
| CAJ | CAI | NAB | 119.4° | 109.4° |
| CAI | CAJ | H11 | 107.0° | 109.5° |
| CAJ | CAI | H12 | 106.9° | 109.5° |
| CAI | CAJ | H15 | 107.0° | 109.5° |
| CAJ | CAI | H16 | 106.9° | 109.5° |
| NAB | CAI | H12 | 106.9° | 109.5° |
| CAI | NAB | H13 | 109.5° | 111.0° |
| CAI | NAB | H14 | 109.4° | 111.0° |
| NAB | CAI | H16 | 106.9° | 109.5° |
| OAM | CAN | CAF | 121.1° | 120.1° |
| OAM | CAN | CAE | 119.0° | 120.0° |
| CAF | CAN | CAE | 119.9° | 119.9° |
| CAN | CAF | CAH | 120.5° | 119.9° |
| CAN | CAF | H6 | 119.8° | 120.0° |
| CAN | CAE | CAG | 120.1° | 120.0° |
| CAN | CAE | H1 | 120.0° | 120.0° |
| CAF | CAH | CAO | 119.4° | 120.1° |
| CAF | CAH | H5 | 120.3° | 120.0° |
| CAH | CAF | H6 | 119.8° | 120.1° |
| CAE | CAG | CAO | 120.1° | 120.0° |
| CAG | CAE | H1 | 120.0° | 120.0° |
| CAE | CAG | H2 | 120.0° | 120.0° |
| CAH | CAO | CAG | 120.1° | 120.1° |
| CAH | CAO | SAP | 120.9° | 120.0° |
| CAO | CAH | H5 | 120.3° | 120.0° |
| CAG | CAO | SAP | 118.9° | 119.9° |
| CAO | CAG | H2 | 120.0° | 120.0° |
| CAO | SAP | NAA | 108.8° | 107.2° |
| CAO | SAP | OAD | 106.1° | 106.4° |
| CAO | SAP | OAC | 107.4° | 106.3° |
| NAA | SAP | OAD | 111.0° | 106.4° |
| NAA | SAP | OAC | 108.9° | 106.4° |
| SAP | NAA | H3 | 109.5° | 120.0° |
| SAP | NAA | H4 | 109.5° | 120.0° |
| OAD | SAP | OAC | 114.4° | 123.2° |
| H3 | NAA | H4 | 109.5° | 120.0° |
| H7 | CAL | H8 | 109.4° | 109.5° |
| H9 | CAK | H10 | 109.5° | 109.4° |
| H11 | CAJ | H15 | 109.5° | 109.5° |
| H12 | CAI | H16 | 109.5° | 109.5° |
| H13 | NAB | H14 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAL | CAK | CAJ | H9 | 121.3° | 120.1° |
| CAL | CAK | CAJ | H10 | 121.3° | 120.0° |
| CAK | CAL | OAM | H7 | 121.2° | 120.1° |
| CAK | CAL | OAM | H8 | 121.2° | 119.9° |
| CAL | CAK | CAJ | CAI | 173.4° | 180.0° |
| CAK | CAL | OAM | CAN | 164.7° | 180.0° |
| CAK | CAL | H7 | H8 | 116.2° | 119.9° |
| CAL | CAK | H9 | H10 | 115.9° | 120.0° |
| CAL | CAK | CAJ | H11 | 65.3° | 60.0° |
| CAL | CAK | CAJ | H15 | 52.0° | 60.0° |
| CAJ | CAK | CAL | OAM | 75.2° | 180.0° |
| CAK | CAJ | CAI | H11 | 121.3° | 120.0° |
| CAK | CAJ | CAI | H15 | 121.4° | 120.0° |
| CAK | CAJ | CAI | NAB | 171.5° | 180.0° |
| CAJ | CAK | CAL | H7 | 163.6° | 59.9° |
| CAJ | CAK | CAL | H8 | 46.1° | 60.0° |
| CAJ | CAK | H9 | H10 | 115.9° | 119.9° |
| CAK | CAJ | H11 | H15 | 115.7° | 120.0° |
| CAK | CAJ | CAI | H12 | 50.0° | 60.0° |
| CAK | CAJ | CAI | H16 | 67.1° | 60.0° |
| CAL | OAM | CAN | CAF | 5.0° | 180.0° |
| CAL | OAM | CAN | CAE | 175.3° | 0.5° |
| OAM | CAL | H7 | H8 | 116.2° | 120.0° |
| OAM | CAL | CAK | H9 | 163.6° | 59.9° |
| OAM | CAL | CAK | H10 | 46.1° | 60.1° |
| CAJ | CAI | NAB | H12 | 121.4° | 120.0° |
| CAJ | CAI | NAB | H16 | 121.4° | 120.0° |
| CAI | CAJ | CAK | H9 | 52.1° | 60.0° |
| CAI | CAJ | CAK | H10 | 65.3° | 60.0° |
| CAI | CAJ | H11 | H15 | 115.7° | 120.0° |
| CAJ | CAI | H12 | H16 | 115.5° | 120.0° |
| CAJ | CAI | NAB | H13 | 180.0° | 56.1° |
| CAJ | CAI | NAB | H14 | 60.0° | 180.0° |
| NAB | CAI | CAJ | H11 | 67.2° | 60.0° |
| NAB | CAI | H12 | H16 | 115.5° | 120.0° |
| CAI | NAB | H13 | H14 | 120.0° | 123.9° |
| NAB | CAI | CAJ | H15 | 50.1° | 60.0° |
| OAM | CAN | CAF | CAE | 179.8° | 179.5° |
| OAM | CAN | CAF | CAH | 179.7° | 180.0° |
| OAM | CAN | CAE | CAG | 179.6° | 180.0° |
| OAM | CAN | CAE | H1 | 0.4° | 0.2° |
| OAM | CAN | CAF | H6 | 0.3° | 0.3° |
| CAN | OAM | CAL | H7 | 74.1° | 60.0° |
| CAN | OAM | CAL | H8 | 43.5° | 60.0° |
| CAN | CAF | CAH | H6 | 180.0° | 179.7° |
| CAF | CAN | CAE | CAG | 0.6° | 0.5° |
| CAN | CAF | CAH | CAO | 0.4° | 0.3° |
| CAF | CAN | CAE | H1 | 179.3° | 179.7° |
| CAN | CAF | CAH | H5 | 179.6° | 179.8° |
| CAE | CAN | CAF | CAH | 0.6° | 0.5° |
| CAN | CAE | CAG | H1 | 180.0° | 179.8° |
| CAN | CAE | CAG | CAO | 0.5° | 0.2° |
| CAN | CAE | CAG | H2 | 179.5° | 179.8° |
| CAE | CAN | CAF | H6 | 179.5° | 179.8° |
| CAF | CAH | CAO | H5 | 180.0° | 179.9° |
| CAF | CAH | CAO | CAG | 0.3° | 0.1° |
| CAF | CAH | CAO | SAP | 179.7° | 180.0° |
| CAE | CAG | CAO | CAH | 0.3° | 0.0° |
| CAE | CAG | CAO | H2 | 180.0° | 179.9° |
| CAE | CAG | CAO | SAP | 179.7° | 179.9° |
| CAH | CAO | CAG | SAP | 179.4° | 179.9° |
| CAH | CAO | SAP | NAA | 41.7° | 89.9° |
| CAH | CAO | SAP | OAD | 161.2° | 156.5° |
| CAH | CAO | SAP | OAC | 76.0° | 23.6° |
| CAH | CAO | CAG | H2 | 179.7° | 180.0° |
| CAO | CAH | CAF | H6 | 179.6° | 179.9° |
| CAG | CAO | SAP | NAA | 138.9° | 90.0° |
| CAG | CAO | SAP | OAD | 19.4° | 23.6° |
| CAG | CAO | SAP | OAC | 103.4° | 156.5° |
| CAO | CAG | CAE | H1 | 179.5° | 179.9° |
| CAG | CAO | CAH | H5 | 179.7° | 180.0° |
| CAO | SAP | NAA | OAD | 116.4° | 113.6° |
| CAO | SAP | NAA | OAC | 116.8° | 113.5° |
| CAO | SAP | OAD | OAC | 118.2° | 122.9° |
| SAP | CAO | CAG | H2 | 0.3° | 0.1° |
| CAO | SAP | NAA | H3 | 180.0° | 150.0° |
| CAO | SAP | NAA | H4 | 60.0° | 30.1° |
| SAP | CAO | CAH | H5 | 0.3° | 0.1° |
| NAA | SAP | OAD | OAC | 123.7° | 123.0° |
| SAP | NAA | H3 | H4 | 120.0° | 179.9° |
| OAD | SAP | NAA | H3 | 63.6° | 96.4° |
| OAD | SAP | NAA | H4 | 56.4° | 83.5° |
| OAC | SAP | NAA | H3 | 63.3° | 36.5° |
| OAC | SAP | NAA | H4 | 176.7° | 143.5° |
| H1 | CAE | CAG | H2 | 0.5° | 0.0° |
| H5 | CAH | CAF | H6 | 0.4° | 0.0° |
| H7 | CAL | CAK | H9 | 42.3° | 180.0° |
| H7 | CAL | CAK | H10 | 75.1° | 60.0° |
| H8 | CAL | CAK | H9 | 75.2° | 60.0° |
| H8 | CAL | CAK | H10 | 167.3° | 180.0° |
| H9 | CAK | CAJ | H11 | 173.4° | 180.0° |
| H9 | CAK | CAJ | H15 | 69.3° | 60.0° |
| H10 | CAK | CAJ | H11 | 56.0° | 60.0° |
| H10 | CAK | CAJ | H15 | 173.3° | 180.0° |
| H11 | CAJ | CAI | H12 | 171.4° | 180.0° |
| H11 | CAJ | CAI | H16 | 54.2° | 60.0° |
| H12 | CAI | NAB | H13 | 58.6° | 63.9° |
| H12 | CAI | NAB | H14 | 178.6° | 60.0° |
| H12 | CAI | CAJ | H15 | 71.4° | 60.0° |
| H13 | NAB | CAI | H16 | 58.6° | 176.1° |
| H14 | NAB | CAI | H16 | 61.4° | 60.0° |
| H15 | CAJ | CAI | H16 | 171.5° | 180.0° |
