2L3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAH | CAG | doub | 1.38Å | 1.41Å | Aromatic |
| CAH | CAJ | sing | 1.38Å | 1.40Å | Aromatic |
| CAG | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAO | doub | 1.39Å | 1.48Å | Aromatic |
| CAI | CAN | doub | 1.39Å | 1.48Å | Aromatic |
| CAO | CAN | sing | 1.41Å | 1.34Å | Aromatic |
| CAO | CAM | sing | 1.47Å | 1.48Å | |
| CAN | CAL | sing | 1.47Å | 1.48Å | |
| OAE | SAQ | doub | 1.42Å | 1.45Å | |
| OAC | CAM | doub | 1.21Å | 1.37Å | |
| CAM | CAP | sing | 1.51Å | 1.50Å | |
| OAD | SAQ | doub | 1.42Å | 1.45Å | |
| CAL | OAB | doub | 1.21Å | 1.37Å | |
| CAL | CAK | sing | 1.51Å | 1.49Å | |
| SAQ | CAP | sing | 1.81Å | 1.77Å | |
| SAQ | OAF | sing | 1.52Å | 1.45Å | |
| CAP | CAK | sing | 1.53Å | 1.50Å | |
| CAP | CAA | sing | 1.53Å | 1.49Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAK | H4 | sing | 1.09Å | 1.10Å | |
| CAK | H5 | sing | 1.09Å | 1.10Å | |
| CAI | H8 | sing | 1.08Å | 1.08Å | |
| CAG | H9 | sing | 1.08Å | 1.08Å | |
| CAH | H10 | sing | 1.08Å | 1.08Å | |
| CAJ | H11 | sing | 1.08Å | 1.08Å | |
| OAF | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAG | CAH | CAJ | 120.4° | 120.6° |
| CAH | CAG | CAI | 121.5° | 120.5° |
| CAH | CAG | H9 | 119.3° | 119.7° |
| CAG | CAH | H10 | 119.8° | 119.7° |
| CAH | CAJ | CAO | 118.8° | 119.7° |
| CAJ | CAH | H10 | 119.8° | 119.7° |
| CAH | CAJ | H11 | 120.6° | 120.2° |
| CAG | CAI | CAN | 118.3° | 119.7° |
| CAG | CAI | H8 | 120.9° | 120.1° |
| CAI | CAG | H9 | 119.2° | 119.8° |
| CAJ | CAO | CAN | 120.8° | 119.8° |
| CAJ | CAO | CAM | 119.7° | 120.9° |
| CAO | CAJ | H11 | 120.6° | 120.1° |
| CAI | CAN | CAO | 120.4° | 119.7° |
| CAI | CAN | CAL | 119.3° | 121.0° |
| CAN | CAI | H8 | 120.9° | 120.2° |
| CAN | CAO | CAM | 119.5° | 119.3° |
| CAO | CAN | CAL | 120.3° | 119.3° |
| CAO | CAM | OAC | 120.3° | 120.7° |
| CAO | CAM | CAP | 119.0° | 118.6° |
| CAN | CAL | OAB | 119.6° | 120.7° |
| CAN | CAL | CAK | 119.9° | 118.6° |
| OAE | SAQ | OAD | 103.8° | 121.0° |
| OAE | SAQ | CAP | 116.3° | 110.6° |
| OAE | SAQ | OAF | 103.0° | 104.3° |
| OAC | CAM | CAP | 120.7° | 120.7° |
| CAM | CAP | SAQ | 105.6° | 109.7° |
| CAM | CAP | CAK | 111.4° | 108.5° |
| CAM | CAP | CAA | 109.1° | 109.8° |
| OAD | SAQ | CAP | 110.3° | 110.6° |
| OAD | SAQ | OAF | 108.9° | 104.3° |
| OAB | CAL | CAK | 120.6° | 120.7° |
| CAL | CAK | CAP | 110.2° | 108.5° |
| CAL | CAK | H4 | 109.3° | 109.6° |
| CAL | CAK | H5 | 109.3° | 109.8° |
| CAP | SAQ | OAF | 113.8° | 104.5° |
| SAQ | CAP | CAK | 109.8° | 109.7° |
| SAQ | CAP | CAA | 110.5° | 109.6° |
| SAQ | OAF | H14 | 109.5° | 114.0° |
| CAK | CAP | CAA | 110.4° | 109.6° |
| CAP | CAK | H4 | 109.3° | 109.6° |
| CAP | CAK | H5 | 109.3° | 109.7° |
| CAP | CAA | H1 | 109.5° | 109.4° |
| CAP | CAA | H2 | 109.5° | 109.4° |
| CAP | CAA | H3 | 109.5° | 109.5° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.4° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAK | H5 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAG | CAH | CAJ | H10 | 180.0° | 179.9° |
| CAH | CAG | CAI | H9 | 180.0° | 180.0° |
| CAG | CAH | CAJ | CAO | 0.3° | 0.0° |
| CAH | CAG | CAI | CAN | 0.8° | 0.0° |
| CAH | CAG | CAI | H8 | 179.1° | 179.9° |
| CAG | CAH | CAJ | H11 | 179.7° | 179.9° |
| CAJ | CAH | CAG | CAI | 0.9° | 0.0° |
| CAH | CAJ | CAO | H11 | 180.0° | 180.0° |
| CAH | CAJ | CAO | CAN | 0.2° | 0.1° |
| CAH | CAJ | CAO | CAM | 179.5° | 179.9° |
| CAJ | CAH | CAG | H9 | 179.2° | 180.0° |
| CAG | CAI | CAN | H8 | 180.0° | 179.9° |
| CAG | CAI | CAN | CAO | 0.3° | 0.0° |
| CAG | CAI | CAN | CAL | 179.3° | 180.0° |
| CAI | CAG | CAH | H10 | 179.1° | 180.0° |
| CAJ | CAO | CAN | CAI | 0.2° | 0.1° |
| CAJ | CAO | CAN | CAM | 179.6° | 180.0° |
| CAJ | CAO | CAN | CAL | 179.8° | 179.9° |
| CAJ | CAO | CAM | OAC | 12.8° | 16.3° |
| CAJ | CAO | CAM | CAP | 164.6° | 163.6° |
| CAO | CAJ | CAH | H10 | 179.7° | 180.0° |
| CAI | CAN | CAO | CAL | 179.6° | 180.0° |
| CAI | CAN | CAO | CAM | 179.5° | 179.9° |
| CAI | CAN | CAL | OAB | 13.3° | 16.4° |
| CAI | CAN | CAL | CAK | 167.7° | 163.6° |
| CAN | CAI | CAG | H9 | 179.2° | 180.0° |
| CAN | CAO | CAM | OAC | 167.6° | 163.7° |
| CAN | CAO | CAM | CAP | 15.0° | 16.4° |
| CAO | CAN | CAL | OAB | 166.3° | 163.6° |
| CAO | CAN | CAL | CAK | 12.7° | 16.4° |
| CAO | CAN | CAI | H8 | 179.6° | 180.0° |
| CAN | CAO | CAJ | H11 | 179.8° | 179.9° |
| CAM | CAO | CAN | CAL | 0.1° | 0.1° |
| CAO | CAM | OAC | CAP | 177.4° | 179.9° |
| CAO | CAM | CAP | SAQ | 78.3° | 73.7° |
| CAO | CAM | CAP | CAK | 40.9° | 46.0° |
| CAO | CAM | CAP | CAA | 162.9° | 165.7° |
| CAM | CAO | CAJ | H11 | 0.5° | 0.1° |
| CAN | CAL | OAB | CAK | 178.9° | 180.0° |
| CAN | CAL | CAK | CAP | 38.1° | 46.0° |
| CAN | CAL | CAK | H4 | 82.0° | 165.7° |
| CAN | CAL | CAK | H5 | 158.2° | 73.8° |
| CAL | CAN | CAI | H8 | 0.8° | 0.0° |
| OAE | SAQ | CAP | CAM | 71.4° | 172.6° |
| OAE | SAQ | OAD | CAP | 125.3° | 131.6° |
| OAE | SAQ | OAD | OAF | 109.2° | 116.7° |
| OAE | SAQ | CAP | OAF | 119.4° | 111.6° |
| OAE | SAQ | CAP | CAK | 48.8° | 68.4° |
| OAE | SAQ | CAP | CAA | 170.8° | 52.0° |
| OAE | SAQ | OAF | H14 | 0.0° | 63.9° |
| OAC | CAM | CAP | SAQ | 99.1° | 106.2° |
| OAC | CAM | CAP | CAK | 141.7° | 134.1° |
| OAC | CAM | CAP | CAA | 19.7° | 14.4° |
| CAM | CAP | SAQ | OAD | 46.4° | 50.6° |
| CAM | CAP | CAK | CAL | 49.9° | 58.0° |
| CAM | CAP | SAQ | CAK | 120.2° | 119.0° |
| CAM | CAP | SAQ | CAA | 117.8° | 120.6° |
| CAM | CAP | SAQ | OAF | 169.1° | 61.0° |
| CAM | CAP | CAK | CAA | 121.3° | 119.9° |
| CAM | CAP | CAA | H1 | 180.0° | 60.5° |
| CAM | CAP | CAA | H2 | 60.0° | 59.4° |
| CAM | CAP | CAA | H3 | 60.0° | 179.5° |
| CAM | CAP | CAK | H4 | 70.2° | 177.7° |
| CAM | CAP | CAK | H5 | 170.0° | 61.8° |
| OAD | SAQ | CAP | OAF | 122.7° | 111.6° |
| OAD | SAQ | CAP | CAK | 166.7° | 68.4° |
| OAD | SAQ | CAP | CAA | 71.4° | 171.2° |
| OAD | SAQ | OAF | H14 | 109.7° | 63.9° |
| OAB | CAL | CAK | CAP | 140.9° | 134.0° |
| OAB | CAL | CAK | H4 | 99.0° | 14.3° |
| OAB | CAL | CAK | H5 | 20.8° | 106.2° |
| CAL | CAK | CAP | SAQ | 66.8° | 61.7° |
| CAL | CAK | CAP | H4 | 120.1° | 119.7° |
| CAL | CAK | CAP | H5 | 120.1° | 119.9° |
| CAL | CAK | CAP | CAA | 171.2° | 177.9° |
| CAL | CAK | H4 | H5 | 119.7° | 120.6° |
| SAQ | CAP | CAK | CAA | 122.0° | 120.4° |
| SAQ | CAP | CAA | H1 | 64.3° | 60.0° |
| SAQ | CAP | CAA | H2 | 55.7° | 180.0° |
| SAQ | CAP | CAA | H3 | 175.7° | 60.0° |
| SAQ | CAP | CAK | H4 | 173.1° | 58.0° |
| SAQ | CAP | CAK | H5 | 53.3° | 178.4° |
| CAP | SAQ | OAF | H14 | 126.8° | 180.0° |
| OAF | SAQ | CAP | CAK | 70.6° | 180.0° |
| OAF | SAQ | CAP | CAA | 51.3° | 59.6° |
| CAK | CAP | CAA | H1 | 57.3° | 179.6° |
| CAK | CAP | CAA | H2 | 177.3° | 59.6° |
| CAK | CAP | CAA | H3 | 62.7° | 60.4° |
| CAP | CAK | H4 | H5 | 119.7° | 120.5° |
| CAP | CAA | H1 | H2 | 120.0° | 119.9° |
| CAP | CAA | H1 | H3 | 120.0° | 120.0° |
| CAP | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAP | CAK | H4 | 51.1° | 62.4° |
| CAA | CAP | CAK | H5 | 68.7° | 58.0° |
| H1 | CAA | H2 | H3 | 119.9° | 120.1° |
| H8 | CAI | CAG | H9 | 0.9° | 0.0° |
| H9 | CAG | CAH | H10 | 0.9° | 0.0° |
| H10 | CAH | CAJ | H11 | 0.3° | 0.0° |
