95L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FAK | CAJ | sing | 1.35Å | 1.27Å | |
| CAJ | CAP | doub | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAI | sing | 1.37Å | 1.40Å | Aromatic |
| CAP | CAO | sing | 1.36Å | 1.39Å | Aromatic |
| CAI | CAH | doub | 1.40Å | 1.41Å | Aromatic |
| CAO | CAN | doub | 1.40Å | 1.39Å | Aromatic |
| CAH | CAN | sing | 1.42Å | 1.38Å | Aromatic |
| CAH | CAG | sing | 1.42Å | 1.39Å | Aromatic |
| CAN | NAM | sing | 1.34Å | 1.35Å | Aromatic |
| NAE | CAG | sing | 1.38Å | 1.32Å | |
| CAG | CAF | doub | 1.40Å | 1.40Å | Aromatic |
| NAM | CAL | doub | 1.31Å | 1.40Å | Aromatic |
| CAF | CAL | sing | 1.40Å | 1.39Å | Aromatic |
| CAF | CAD | sing | 1.47Å | 1.40Å | |
| OAC | CAD | doub | 1.22Å | 1.23Å | |
| CAD | NAB | sing | 1.35Å | 1.36Å | |
| NAB | NAA | sing | 1.37Å | 1.39Å | |
| NAA | H1 | sing | 1.01Å | 1.00Å | |
| NAA | H2 | sing | 1.01Å | 1.00Å | |
| NAB | H3 | sing | 0.97Å | 1.00Å | |
| CAL | H4 | sing | 1.08Å | 1.08Å | |
| CAO | H5 | sing | 1.08Å | 1.08Å | |
| CAP | H6 | sing | 1.08Å | 1.08Å | |
| CAI | H7 | sing | 1.08Å | 1.08Å | |
| NAE | H8 | sing | 0.97Å | 1.00Å | |
| NAE | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FAK | CAJ | CAP | 118.7° | 119.7° |
| FAK | CAJ | CAI | 120.7° | 119.6° |
| CAP | CAJ | CAI | 120.6° | 120.7° |
| CAJ | CAP | CAO | 119.3° | 121.0° |
| CAJ | CAP | H6 | 120.4° | 119.5° |
| CAJ | CAI | CAH | 119.4° | 119.6° |
| CAJ | CAI | H7 | 120.3° | 120.2° |
| CAP | CAO | CAN | 120.7° | 119.9° |
| CAP | CAO | H5 | 119.6° | 120.0° |
| CAO | CAP | H6 | 120.3° | 119.5° |
| CAI | CAH | CAN | 120.1° | 119.8° |
| CAI | CAH | CAG | 121.9° | 121.2° |
| CAH | CAI | H7 | 120.3° | 120.1° |
| CAO | CAN | CAH | 119.9° | 119.0° |
| CAO | CAN | NAM | 119.6° | 120.8° |
| CAN | CAO | H5 | 119.6° | 120.1° |
| CAN | CAH | CAG | 118.0° | 119.1° |
| CAH | CAN | NAM | 120.5° | 120.2° |
| CAH | CAG | NAE | 117.3° | 121.1° |
| CAH | CAG | CAF | 122.9° | 117.7° |
| CAN | NAM | CAL | 121.9° | 122.0° |
| NAE | CAG | CAF | 119.8° | 121.1° |
| CAG | NAE | H8 | 109.5° | 120.0° |
| CAG | NAE | H9 | 109.5° | 120.0° |
| CAG | CAF | CAL | 117.0° | 119.3° |
| CAG | CAF | CAD | 123.5° | 120.3° |
| NAM | CAL | CAF | 119.8° | 121.7° |
| NAM | CAL | H4 | 120.1° | 119.1° |
| CAL | CAF | CAD | 119.4° | 120.4° |
| CAF | CAL | H4 | 120.1° | 119.2° |
| CAF | CAD | OAC | 120.6° | 120.0° |
| CAF | CAD | NAB | 114.9° | 120.0° |
| OAC | CAD | NAB | 124.4° | 120.0° |
| CAD | NAB | NAA | 118.8° | 120.0° |
| CAD | NAB | H3 | 120.6° | 120.0° |
| NAB | NAA | H1 | 109.5° | 111.0° |
| NAB | NAA | H2 | 109.5° | 111.0° |
| NAA | NAB | H3 | 120.6° | 120.0° |
| H1 | NAA | H2 | 109.5° | 111.0° |
| H8 | NAE | H9 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FAK | CAJ | CAP | CAI | 179.5° | 180.0° |
| FAK | CAJ | CAP | CAO | 179.7° | 180.0° |
| FAK | CAJ | CAI | CAH | 179.9° | 180.0° |
| FAK | CAJ | CAP | H6 | 0.3° | 0.1° |
| FAK | CAJ | CAI | H7 | 0.1° | 0.0° |
| CAJ | CAP | CAO | H6 | 180.0° | 180.0° |
| CAP | CAJ | CAI | CAH | 0.3° | 0.0° |
| CAJ | CAP | CAO | CAN | 0.4° | 0.0° |
| CAJ | CAP | CAO | H5 | 179.7° | 180.0° |
| CAP | CAJ | CAI | H7 | 179.7° | 180.0° |
| CAI | CAJ | CAP | CAO | 0.2° | 0.0° |
| CAJ | CAI | CAH | H7 | 180.0° | 180.0° |
| CAJ | CAI | CAH | CAN | 0.0° | 0.1° |
| CAJ | CAI | CAH | CAG | 179.9° | 179.7° |
| CAI | CAJ | CAP | H6 | 179.8° | 180.0° |
| CAP | CAO | CAN | H5 | 180.0° | 179.9° |
| CAP | CAO | CAN | CAH | 0.7° | 0.1° |
| CAP | CAO | CAN | NAM | 179.4° | 180.0° |
| CAI | CAH | CAN | CAO | 0.6° | 0.1° |
| CAI | CAH | CAN | CAG | 179.9° | 179.7° |
| CAI | CAH | CAN | NAM | 179.6° | 180.0° |
| CAI | CAH | CAG | NAE | 0.2° | 0.0° |
| CAI | CAH | CAG | CAF | 179.9° | 179.7° |
| CAO | CAN | CAH | NAM | 179.8° | 179.9° |
| CAO | CAN | CAH | CAG | 179.5° | 179.7° |
| CAO | CAN | NAM | CAL | 179.0° | 180.0° |
| CAN | CAO | CAP | H6 | 179.6° | 179.9° |
| CAN | CAH | CAG | NAE | 179.7° | 179.8° |
| CAN | CAH | CAG | CAF | 0.1° | 0.5° |
| CAH | CAN | NAM | CAL | 0.8° | 0.0° |
| CAH | CAN | CAO | H5 | 179.3° | 180.0° |
| CAN | CAH | CAI | H7 | 179.9° | 180.0° |
| CAG | CAH | CAN | NAM | 0.3° | 0.2° |
| CAH | CAG | NAE | CAF | 179.8° | 179.7° |
| CAH | CAG | CAF | CAL | 0.1° | 0.5° |
| CAH | CAG | CAF | CAD | 179.5° | 179.8° |
| CAG | CAH | CAI | H7 | 0.1° | 0.3° |
| CAH | CAG | NAE | H8 | 180.0° | 5.4° |
| CAH | CAG | NAE | H9 | 60.0° | 174.6° |
| CAN | NAM | CAL | CAF | 0.9° | 0.1° |
| CAN | NAM | CAL | H4 | 179.0° | 180.0° |
| NAM | CAN | CAO | H5 | 0.6° | 0.1° |
| NAE | CAG | CAF | CAL | 179.9° | 179.8° |
| NAE | CAG | CAF | CAD | 0.7° | 0.1° |
| CAG | NAE | H8 | H9 | 120.0° | 180.0° |
| CAG | CAF | CAL | NAM | 0.6° | 0.2° |
| CAG | CAF | CAL | CAD | 179.5° | 179.7° |
| CAG | CAF | CAD | OAC | 1.6° | 6.2° |
| CAG | CAF | CAD | NAB | 175.7° | 173.9° |
| CAG | CAF | CAL | H4 | 179.4° | 179.7° |
| CAF | CAG | NAE | H8 | 0.2° | 174.8° |
| CAF | CAG | NAE | H9 | 119.8° | 5.1° |
| NAM | CAL | CAF | H4 | 180.0° | 180.0° |
| NAM | CAL | CAF | CAD | 180.0° | 179.9° |
| CAL | CAF | CAD | OAC | 179.0° | 174.1° |
| CAL | CAF | CAD | NAB | 3.7° | 5.9° |
| CAF | CAD | OAC | NAB | 177.1° | 180.0° |
| CAF | CAD | NAB | NAA | 179.3° | 180.0° |
| CAF | CAD | NAB | H3 | 0.7° | 0.0° |
| CAD | CAF | CAL | H4 | 0.0° | 0.0° |
| OAC | CAD | NAB | NAA | 3.5° | 0.0° |
| OAC | CAD | NAB | H3 | 176.5° | 180.0° |
| CAD | NAB | NAA | H3 | 180.0° | 180.0° |
| CAD | NAB | NAA | H1 | 180.0° | 56.1° |
| CAD | NAB | NAA | H2 | 60.0° | 180.0° |
| NAB | NAA | H1 | H2 | 120.0° | 124.0° |
| H1 | NAA | NAB | H3 | 0.0° | 124.0° |
| H2 | NAA | NAB | H3 | 120.0° | 0.0° |
| H5 | CAO | CAP | H6 | 0.3° | 0.0° |
