LL9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | OAM | sing | 1.43Å | 1.37Å | |
| OAM | CAP | sing | 1.36Å | 1.41Å | |
| CL | CAO | sing | 1.74Å | 1.73Å | |
| CAP | CAO | doub | 1.39Å | 1.42Å | Aromatic |
| CAP | CAG | sing | 1.39Å | 1.37Å | Aromatic |
| CAO | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAG | CAF | doub | 1.38Å | 1.44Å | Aromatic |
| CAH | CAN | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAN | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | CAK | sing | 1.51Å | 1.44Å | |
| CAK | NAL | sing | 1.47Å | 1.47Å | |
| NAL | CAI | sing | 1.47Å | 1.45Å | |
| CAI | CAJ | sing | 1.53Å | 1.56Å | |
| CAJ | SAQ | sing | 1.81Å | 1.73Å | |
| OAD | SAQ | doub | 1.42Å | 1.44Å | |
| SAQ | OAC | doub | 1.42Å | 1.46Å | |
| SAQ | OAB | sing | 1.52Å | 1.53Å | |
| CAJ | H1 | sing | 1.09Å | 1.10Å | |
| CAJ | H2 | sing | 1.09Å | 1.10Å | |
| CAI | H3 | sing | 1.09Å | 1.10Å | |
| CAI | H4 | sing | 1.09Å | 1.10Å | |
| NAL | H5 | sing | 1.01Å | 1.00Å | |
| CAK | H7 | sing | 1.09Å | 1.10Å | |
| CAK | H8 | sing | 1.09Å | 1.10Å | |
| CAH | H9 | sing | 1.08Å | 1.08Å | |
| CAA | H10 | sing | 1.09Å | 1.10Å | |
| CAA | H11 | sing | 1.09Å | 1.10Å | |
| CAA | H12 | sing | 1.09Å | 1.10Å | |
| CAG | H13 | sing | 1.08Å | 1.08Å | |
| CAF | H14 | sing | 1.08Å | 1.08Å | |
| OAB | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | OAM | CAP | 118.2° | 117.0° |
| OAM | CAA | H10 | 109.5° | 109.5° |
| OAM | CAA | H11 | 109.5° | 109.4° |
| OAM | CAA | H12 | 109.4° | 109.5° |
| OAM | CAP | CAO | 120.4° | 120.0° |
| OAM | CAP | CAG | 119.7° | 120.1° |
| CL | CAO | CAP | 120.1° | 120.0° |
| CL | CAO | CAH | 120.1° | 120.0° |
| CAO | CAP | CAG | 119.9° | 119.9° |
| CAP | CAO | CAH | 119.8° | 120.0° |
| CAP | CAG | CAF | 120.5° | 120.0° |
| CAP | CAG | H13 | 119.8° | 120.0° |
| CAO | CAH | CAN | 120.1° | 120.1° |
| CAO | CAH | H9 | 120.0° | 120.0° |
| CAG | CAF | CAN | 119.3° | 120.1° |
| CAF | CAG | H13 | 119.8° | 120.0° |
| CAG | CAF | H14 | 120.3° | 120.0° |
| CAH | CAN | CAF | 120.5° | 120.1° |
| CAH | CAN | CAK | 119.7° | 120.0° |
| CAN | CAH | H9 | 120.0° | 119.9° |
| CAF | CAN | CAK | 119.8° | 119.9° |
| CAN | CAF | H14 | 120.4° | 119.9° |
| CAN | CAK | NAL | 115.1° | 109.5° |
| CAN | CAK | H7 | 108.0° | 109.4° |
| CAN | CAK | H8 | 108.0° | 109.4° |
| CAK | NAL | CAI | 109.4° | 111.0° |
| CAK | NAL | H5 | 109.5° | 111.0° |
| NAL | CAK | H7 | 108.1° | 109.5° |
| NAL | CAK | H8 | 108.1° | 109.5° |
| NAL | CAI | CAJ | 116.0° | 109.4° |
| NAL | CAI | H3 | 107.8° | 109.4° |
| NAL | CAI | H4 | 107.8° | 109.5° |
| CAI | NAL | H5 | 109.5° | 111.0° |
| CAI | CAJ | SAQ | 114.8° | 109.5° |
| CAI | CAJ | H1 | 108.1° | 109.4° |
| CAI | CAJ | H2 | 108.1° | 109.5° |
| CAJ | CAI | H3 | 107.8° | 109.5° |
| CAJ | CAI | H4 | 107.8° | 109.5° |
| CAJ | SAQ | OAD | 107.4° | 110.6° |
| CAJ | SAQ | OAC | 112.3° | 110.5° |
| CAJ | SAQ | OAB | 107.7° | 104.4° |
| SAQ | CAJ | H1 | 108.1° | 109.5° |
| SAQ | CAJ | H2 | 108.1° | 109.5° |
| OAD | SAQ | OAC | 109.9° | 121.0° |
| OAD | SAQ | OAB | 111.1° | 104.3° |
| OAC | SAQ | OAB | 108.3° | 104.3° |
| SAQ | OAB | H15 | 109.5° | 114.0° |
| H1 | CAJ | H2 | 109.5° | 109.5° |
| H3 | CAI | H4 | 109.5° | 109.5° |
| H7 | CAK | H8 | 109.4° | 109.5° |
| H10 | CAA | H11 | 109.4° | 109.5° |
| H10 | CAA | H12 | 109.5° | 109.5° |
| H11 | CAA | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | OAM | CAP | CAO | 169.6° | 180.0° |
| CAA | OAM | CAP | CAG | 10.0° | 0.0° |
| OAM | CAA | H10 | H11 | 120.0° | 119.9° |
| OAM | CAA | H10 | H12 | 120.0° | 120.0° |
| OAM | CAA | H11 | H12 | 120.0° | 120.0° |
| OAM | CAP | CAO | CL | 0.4° | 0.0° |
| OAM | CAP | CAO | CAG | 179.6° | 180.0° |
| OAM | CAP | CAO | CAH | 179.6° | 180.0° |
| OAM | CAP | CAG | CAF | 179.7° | 179.7° |
| CAP | OAM | CAA | H10 | 180.0° | 180.0° |
| CAP | OAM | CAA | H11 | 60.0° | 60.0° |
| CAP | OAM | CAA | H12 | 60.0° | 60.0° |
| OAM | CAP | CAG | H13 | 0.3° | 0.0° |
| CL | CAO | CAP | CAH | 179.9° | 179.9° |
| CL | CAO | CAP | CAG | 180.0° | 180.0° |
| CL | CAO | CAH | CAN | 179.7° | 179.9° |
| CL | CAO | CAH | H9 | 0.3° | 0.1° |
| CAO | CAP | CAG | CAF | 0.1° | 0.3° |
| CAP | CAO | CAH | CAN | 0.2° | 0.0° |
| CAP | CAO | CAH | H9 | 179.8° | 180.0° |
| CAO | CAP | CAG | H13 | 179.9° | 180.0° |
| CAG | CAP | CAO | CAH | 0.1° | 0.0° |
| CAP | CAG | CAF | H13 | 180.0° | 179.7° |
| CAP | CAG | CAF | CAN | 0.4° | 0.5° |
| CAP | CAG | CAF | H14 | 179.6° | 180.0° |
| CAO | CAH | CAN | H9 | 180.0° | 180.0° |
| CAO | CAH | CAN | CAF | 0.6° | 0.2° |
| CAO | CAH | CAN | CAK | 179.6° | 180.0° |
| CAG | CAF | CAN | CAH | 0.7° | 0.5° |
| CAG | CAF | CAN | H14 | 180.0° | 179.5° |
| CAG | CAF | CAN | CAK | 179.7° | 179.7° |
| CAH | CAN | CAF | CAK | 179.0° | 179.8° |
| CAH | CAN | CAK | NAL | 80.7° | 90.0° |
| CAH | CAN | CAK | H7 | 40.2° | 30.0° |
| CAH | CAN | CAK | H8 | 158.5° | 150.0° |
| CAH | CAN | CAF | H14 | 179.3° | 180.0° |
| CAF | CAN | CAK | NAL | 98.4° | 90.2° |
| CAF | CAN | CAK | H7 | 140.8° | 149.8° |
| CAF | CAN | CAK | H8 | 22.5° | 29.8° |
| CAF | CAN | CAH | H9 | 179.4° | 179.8° |
| CAN | CAF | CAG | H13 | 179.6° | 179.8° |
| CAN | CAK | NAL | H7 | 120.8° | 120.0° |
| CAN | CAK | NAL | H8 | 120.8° | 120.0° |
| CAN | CAK | NAL | CAI | 174.6° | 180.0° |
| CAN | CAK | NAL | H5 | 65.4° | 56.0° |
| CAN | CAK | H7 | H8 | 117.4° | 120.0° |
| CAK | CAN | CAH | H9 | 0.4° | 0.0° |
| CAK | CAN | CAF | H14 | 0.3° | 0.2° |
| CAK | NAL | CAI | H5 | 120.0° | 123.9° |
| CAK | NAL | CAI | CAJ | 165.6° | 180.0° |
| CAK | NAL | CAI | H3 | 44.6° | 60.0° |
| CAK | NAL | CAI | H4 | 73.5° | 60.0° |
| NAL | CAK | H7 | H8 | 117.5° | 120.0° |
| NAL | CAI | CAJ | H3 | 121.0° | 119.9° |
| NAL | CAI | CAJ | H4 | 120.9° | 120.0° |
| NAL | CAI | CAJ | SAQ | 153.0° | 180.0° |
| NAL | CAI | CAJ | H1 | 86.2° | 60.0° |
| NAL | CAI | CAJ | H2 | 32.2° | 59.9° |
| NAL | CAI | H3 | H4 | 117.0° | 120.0° |
| CAI | NAL | CAK | H7 | 53.7° | 60.0° |
| CAI | NAL | CAK | H8 | 64.6° | 60.0° |
| CAI | CAJ | SAQ | H1 | 120.8° | 119.9° |
| CAI | CAJ | SAQ | H2 | 120.7° | 120.1° |
| CAI | CAJ | SAQ | OAD | 64.0° | 68.3° |
| CAI | CAJ | SAQ | OAC | 175.0° | 68.4° |
| CAI | CAJ | SAQ | OAB | 55.8° | 180.0° |
| CAI | CAJ | H1 | H2 | 117.6° | 120.0° |
| CAJ | CAI | H3 | H4 | 117.0° | 120.1° |
| CAJ | CAI | NAL | H5 | 74.4° | 56.0° |
| CAJ | SAQ | OAD | OAC | 122.5° | 131.5° |
| CAJ | SAQ | OAD | OAB | 117.6° | 111.8° |
| CAJ | SAQ | OAC | OAB | 118.9° | 111.7° |
| SAQ | CAJ | H1 | H2 | 117.6° | 120.1° |
| SAQ | CAJ | CAI | H3 | 32.0° | 60.1° |
| SAQ | CAJ | CAI | H4 | 86.1° | 60.0° |
| CAJ | SAQ | OAB | H15 | 121.7° | 180.0° |
| OAD | SAQ | OAC | OAB | 121.5° | 116.8° |
| OAD | SAQ | CAJ | H1 | 175.2° | 51.6° |
| OAD | SAQ | CAJ | H2 | 56.8° | 171.6° |
| OAD | SAQ | OAB | H15 | 120.8° | 63.9° |
| OAC | SAQ | CAJ | H1 | 54.3° | 171.7° |
| OAC | SAQ | CAJ | H2 | 64.2° | 51.6° |
| OAC | SAQ | OAB | H15 | 0.0° | 63.9° |
| OAB | SAQ | CAJ | H1 | 65.0° | 60.0° |
| OAB | SAQ | CAJ | H2 | 176.5° | 60.0° |
| H1 | CAJ | CAI | H3 | 152.8° | 180.0° |
| H1 | CAJ | CAI | H4 | 34.7° | 60.0° |
| H2 | CAJ | CAI | H3 | 88.7° | 60.0° |
| H2 | CAJ | CAI | H4 | 153.2° | 179.9° |
| H3 | CAI | NAL | H5 | 164.6° | 63.9° |
| H4 | CAI | NAL | H5 | 46.5° | 176.0° |
| H5 | NAL | CAK | H7 | 173.7° | 63.9° |
| H5 | NAL | CAK | H8 | 55.4° | 176.0° |
| H10 | CAA | H11 | H12 | 120.0° | 120.0° |
| H13 | CAG | CAF | H14 | 0.4° | 0.3° |
