2LB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAM | doub | 1.21Å | 1.37Å | |
| CAJ | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAO | sing | 1.39Å | 1.48Å | Aromatic |
| CAA | CAP | sing | 1.53Å | 1.49Å | |
| CAM | CAO | sing | 1.48Å | 1.48Å | |
| CAM | CAP | sing | 1.51Å | 1.50Å | |
| OAE | SAQ | doub | 1.42Å | 1.44Å | |
| CAH | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAO | CAN | doub | 1.41Å | 1.33Å | Aromatic |
| CAP | SAQ | sing | 1.81Å | 1.76Å | |
| CAP | CAK | sing | 1.53Å | 1.51Å | |
| OAF | SAQ | doub | 1.42Å | 1.45Å | |
| SAQ | OAD | sing | 1.52Å | 1.44Å | |
| CAG | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAN | CAI | sing | 1.39Å | 1.49Å | Aromatic |
| CAN | CAL | sing | 1.47Å | 1.48Å | |
| CAK | CAL | sing | 1.51Å | 1.50Å | |
| CAL | OAB | doub | 1.21Å | 1.37Å | |
| 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 | |
| OAD | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | CAM | CAO | 118.8° | 120.7° |
| OAC | CAM | CAP | 119.5° | 120.7° |
| CAH | CAJ | CAO | 119.2° | 119.6° |
| CAJ | CAH | CAG | 121.4° | 120.6° |
| CAJ | CAH | H10 | 119.3° | 119.7° |
| CAH | CAJ | H11 | 120.4° | 120.2° |
| CAJ | CAO | CAM | 119.4° | 121.0° |
| CAJ | CAO | CAN | 119.9° | 119.8° |
| CAO | CAJ | H11 | 120.4° | 120.2° |
| CAA | CAP | CAM | 109.7° | 109.8° |
| CAA | CAP | SAQ | 109.4° | 109.7° |
| CAA | CAP | CAK | 109.5° | 109.6° |
| CAP | CAA | H1 | 109.5° | 109.5° |
| CAP | CAA | H2 | 109.5° | 109.5° |
| CAP | CAA | H3 | 109.5° | 109.5° |
| CAO | CAM | CAP | 121.6° | 118.6° |
| CAM | CAO | CAN | 120.6° | 119.3° |
| CAM | CAP | SAQ | 107.1° | 109.7° |
| CAM | CAP | CAK | 113.3° | 108.5° |
| OAE | SAQ | CAP | 114.7° | 110.5° |
| OAE | SAQ | OAF | 106.3° | 121.1° |
| OAE | SAQ | OAD | 103.4° | 104.2° |
| CAH | CAG | CAI | 119.6° | 120.5° |
| CAH | CAG | H9 | 120.2° | 119.7° |
| CAG | CAH | H10 | 119.3° | 119.7° |
| CAO | CAN | CAI | 120.3° | 119.7° |
| CAO | CAN | CAL | 119.9° | 119.3° |
| SAQ | CAP | CAK | 107.7° | 109.7° |
| CAP | SAQ | OAF | 111.9° | 110.6° |
| CAP | SAQ | OAD | 114.4° | 104.4° |
| CAP | CAK | CAL | 113.9° | 108.5° |
| CAP | CAK | H4 | 108.4° | 109.7° |
| CAP | CAK | H5 | 108.4° | 109.6° |
| OAF | SAQ | OAD | 105.3° | 104.3° |
| SAQ | OAD | H14 | 109.5° | 114.0° |
| CAG | CAI | CAN | 119.5° | 119.7° |
| CAG | CAI | H8 | 120.2° | 120.1° |
| CAI | CAG | H9 | 120.2° | 119.7° |
| CAI | CAN | CAL | 119.8° | 121.0° |
| CAN | CAI | H8 | 120.2° | 120.2° |
| CAN | CAL | CAK | 121.5° | 118.6° |
| CAN | CAL | OAB | 119.1° | 120.7° |
| CAK | CAL | OAB | 119.4° | 120.7° |
| CAL | CAK | H4 | 108.3° | 109.6° |
| CAL | CAK | H5 | 108.3° | 109.6° |
| H1 | CAA | H2 | 109.5° | 109.4° |
| H1 | CAA | H3 | 109.5° | 109.4° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAK | H5 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAM | CAO | CAJ | 6.0° | 16.3° |
| OAC | CAM | CAP | CAA | 34.0° | 14.3° |
| OAC | CAM | CAO | CAP | 177.7° | 179.9° |
| OAC | CAM | CAO | CAN | 175.0° | 163.6° |
| OAC | CAM | CAP | SAQ | 84.6° | 106.2° |
| OAC | CAM | CAP | CAK | 156.7° | 134.1° |
| CAH | CAJ | CAO | H11 | 180.0° | 180.0° |
| CAH | CAJ | CAO | CAM | 179.6° | 179.9° |
| CAJ | CAH | CAG | H10 | 180.0° | 180.0° |
| CAH | CAJ | CAO | CAN | 0.6° | 0.0° |
| CAJ | CAH | CAG | CAI | 0.0° | 0.0° |
| CAJ | CAH | CAG | H9 | 180.0° | 180.0° |
| CAJ | CAO | CAM | CAN | 179.0° | 179.9° |
| CAJ | CAO | CAM | CAP | 171.7° | 163.6° |
| CAO | CAJ | CAH | CAG | 0.1° | 0.0° |
| CAJ | CAO | CAN | CAI | 0.9° | 0.0° |
| CAJ | CAO | CAN | CAL | 179.9° | 180.0° |
| CAO | CAJ | CAH | H10 | 179.9° | 180.0° |
| CAA | CAP | CAM | CAO | 148.3° | 165.8° |
| CAA | CAP | CAM | SAQ | 118.6° | 120.6° |
| CAA | CAP | CAM | CAK | 122.7° | 119.7° |
| CAA | CAP | SAQ | OAE | 10.3° | 52.0° |
| CAA | CAP | SAQ | CAK | 119.0° | 120.4° |
| CAA | CAP | SAQ | OAF | 131.5° | 171.2° |
| CAA | CAP | SAQ | OAD | 108.9° | 59.6° |
| CAA | CAP | CAK | CAL | 157.3° | 177.9° |
| CAP | CAA | H1 | H2 | 120.0° | 120.0° |
| CAP | CAA | H1 | H3 | 120.0° | 120.0° |
| CAP | CAA | H2 | H3 | 120.0° | 120.1° |
| CAA | CAP | CAK | H4 | 36.6° | 58.2° |
| CAA | CAP | CAK | H5 | 82.0° | 62.5° |
| CAO | CAM | CAP | SAQ | 93.0° | 73.7° |
| CAO | CAM | CAP | CAK | 25.6° | 46.0° |
| CAM | CAO | CAN | CAI | 179.9° | 179.9° |
| CAM | CAO | CAN | CAL | 1.2° | 0.1° |
| CAM | CAO | CAJ | H11 | 0.4° | 0.1° |
| CAM | CAP | SAQ | OAE | 108.4° | 172.6° |
| CAP | CAM | CAO | CAN | 7.3° | 16.5° |
| CAM | CAP | SAQ | CAK | 122.2° | 119.0° |
| CAM | CAP | SAQ | OAF | 12.7° | 50.6° |
| CAM | CAP | SAQ | OAD | 132.3° | 61.0° |
| CAM | CAP | CAK | CAL | 34.5° | 58.0° |
| CAM | CAP | CAA | H1 | 180.0° | 179.4° |
| CAM | CAP | CAA | H2 | 60.0° | 59.5° |
| CAM | CAP | CAA | H3 | 60.0° | 60.6° |
| CAM | CAP | CAK | H4 | 86.2° | 61.7° |
| CAM | CAP | CAK | H5 | 155.2° | 177.7° |
| OAE | SAQ | CAP | OAF | 121.2° | 136.8° |
| OAE | SAQ | CAP | OAD | 119.3° | 111.6° |
| OAE | SAQ | CAP | CAK | 129.3° | 68.4° |
| OAE | SAQ | OAF | OAD | 109.3° | 116.7° |
| OAE | SAQ | OAD | H14 | 0.0° | 64.0° |
| CAH | CAG | CAI | H9 | 180.0° | 180.0° |
| CAH | CAG | CAI | CAN | 0.3° | 0.0° |
| CAH | CAG | CAI | H8 | 179.7° | 180.0° |
| CAG | CAH | CAJ | H11 | 179.9° | 180.0° |
| CAO | CAN | CAI | CAG | 0.8° | 0.0° |
| CAO | CAN | CAI | CAL | 179.0° | 180.0° |
| CAO | CAN | CAL | CAK | 10.5° | 16.5° |
| CAO | CAN | CAL | OAB | 170.3° | 163.5° |
| CAO | CAN | CAI | H8 | 179.2° | 180.0° |
| CAN | CAO | CAJ | H11 | 179.4° | 180.0° |
| CAP | SAQ | OAF | OAD | 124.8° | 111.7° |
| SAQ | CAP | CAK | CAL | 83.8° | 61.7° |
| SAQ | CAP | CAA | H1 | 62.8° | 60.0° |
| SAQ | CAP | CAA | H2 | 177.2° | 180.0° |
| SAQ | CAP | CAA | H3 | 57.2° | 60.0° |
| SAQ | CAP | CAK | H4 | 155.5° | 178.6° |
| SAQ | CAP | CAK | H5 | 36.9° | 58.0° |
| CAP | SAQ | OAD | H14 | 125.5° | 180.0° |
| CAK | CAP | SAQ | OAF | 109.5° | 68.4° |
| CAK | CAP | SAQ | OAD | 10.1° | 180.0° |
| CAP | CAK | CAL | CAN | 29.0° | 46.0° |
| CAP | CAK | CAL | H4 | 120.7° | 119.8° |
| CAP | CAK | CAL | H5 | 120.7° | 119.7° |
| CAP | CAK | CAL | OAB | 151.8° | 134.0° |
| CAK | CAP | CAA | H1 | 55.0° | 60.4° |
| CAK | CAP | CAA | H2 | 64.9° | 59.6° |
| CAK | CAP | CAA | H3 | 175.0° | 179.6° |
| CAP | CAK | H4 | H5 | 118.0° | 120.5° |
| OAF | SAQ | OAD | H14 | 111.3° | 63.9° |
| CAG | CAI | CAN | H8 | 180.0° | 180.0° |
| CAG | CAI | CAN | CAL | 179.7° | 179.9° |
| CAI | CAG | CAH | H10 | 180.0° | 180.0° |
| CAI | CAN | CAL | CAK | 168.5° | 163.6° |
| CAI | CAN | CAL | OAB | 10.7° | 16.4° |
| CAN | CAI | CAG | H9 | 179.7° | 180.0° |
| CAN | CAL | CAK | OAB | 179.2° | 180.0° |
| CAN | CAL | CAK | H4 | 91.7° | 73.7° |
| CAN | CAL | CAK | H5 | 149.7° | 165.7° |
| CAL | CAN | CAI | H8 | 0.2° | 0.0° |
| CAL | CAK | H4 | H5 | 117.9° | 120.5° |
| OAB | CAL | CAK | H4 | 87.5° | 106.3° |
| OAB | CAL | CAK | H5 | 31.1° | 14.3° |
| H1 | CAA | H2 | H3 | 120.0° | 119.9° |
| H8 | CAI | CAG | H9 | 0.3° | 0.0° |
| H9 | CAG | CAH | H10 | 0.0° | 0.0° |
| H10 | CAH | CAJ | H11 | 0.1° | 0.0° |
