2N9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAK | CAL | sing | 1.35Å | 1.36Å | |
| OAK | CAI | sing | 1.45Å | 1.43Å | |
| CAH | NAJ | doub | 1.31Å | 1.41Å | Aromatic |
| CAH | CAN | sing | 1.40Å | 1.39Å | Aromatic |
| OAC | CAL | doub | 1.22Å | 1.23Å | |
| CAL | CAN | sing | 1.47Å | 1.39Å | |
| NAJ | CAO | sing | 1.34Å | 1.34Å | Aromatic |
| CAI | CAA | sing | 1.53Å | 1.53Å | |
| CAN | CAM | doub | 1.40Å | 1.39Å | Aromatic |
| CAO | CAF | doub | 1.40Å | 1.39Å | Aromatic |
| CAO | CAP | sing | 1.42Å | 1.39Å | Aromatic |
| CAM | CAP | sing | 1.41Å | 1.39Å | Aromatic |
| CAM | NAB | sing | 1.38Å | 1.33Å | |
| CAF | CAD | sing | 1.36Å | 1.39Å | Aromatic |
| CAP | CAG | doub | 1.40Å | 1.39Å | Aromatic |
| CAD | CAE | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | CAE | sing | 1.36Å | 1.39Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAD | H4 | sing | 1.08Å | 1.08Å | |
| CAE | H5 | sing | 1.08Å | 1.08Å | |
| CAF | H6 | sing | 1.08Å | 1.08Å | |
| CAG | H7 | sing | 1.08Å | 1.08Å | |
| CAH | H8 | sing | 1.08Å | 1.08Å | |
| CAI | H9 | sing | 1.09Å | 1.10Å | |
| CAI | H10 | sing | 1.09Å | 1.10Å | |
| NAB | H11 | sing | 0.97Å | 1.00Å | |
| NAB | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAL | OAK | CAI | 109.5° | 117.0° |
| OAK | CAL | OAC | 123.9° | 120.0° |
| OAK | CAL | CAN | 115.1° | 120.0° |
| OAK | CAI | CAA | 109.5° | 109.5° |
| OAK | CAI | H9 | 109.5° | 109.5° |
| OAK | CAI | H10 | 109.4° | 109.5° |
| NAJ | CAH | CAN | 119.6° | 121.6° |
| CAH | NAJ | CAO | 121.2° | 122.0° |
| NAJ | CAH | H8 | 120.2° | 119.2° |
| CAH | CAN | CAL | 120.9° | 120.3° |
| CAH | CAN | CAM | 118.1° | 119.3° |
| CAN | CAH | H8 | 120.2° | 119.2° |
| OAC | CAL | CAN | 121.0° | 120.0° |
| CAL | CAN | CAM | 121.0° | 120.4° |
| NAJ | CAO | CAF | 119.9° | 120.7° |
| NAJ | CAO | CAP | 120.3° | 120.2° |
| CAI | CAA | H1 | 109.5° | 109.5° |
| CAI | CAA | H2 | 109.5° | 109.5° |
| CAI | CAA | H3 | 109.5° | 109.5° |
| CAA | CAI | H9 | 109.5° | 109.4° |
| CAA | CAI | H10 | 109.5° | 109.5° |
| CAN | CAM | CAP | 122.1° | 117.8° |
| CAN | CAM | NAB | 118.9° | 121.1° |
| CAF | CAO | CAP | 119.7° | 119.0° |
| CAO | CAF | CAD | 120.0° | 119.8° |
| CAO | CAF | H6 | 120.0° | 120.1° |
| CAO | CAP | CAM | 118.7° | 119.1° |
| CAO | CAP | CAG | 120.4° | 119.7° |
| CAP | CAM | NAB | 119.0° | 121.2° |
| CAM | CAP | CAG | 120.9° | 121.2° |
| CAM | NAB | H11 | 109.5° | 120.0° |
| CAM | NAB | H12 | 109.4° | 120.1° |
| CAF | CAD | CAE | 120.1° | 121.0° |
| CAF | CAD | H4 | 119.9° | 119.5° |
| CAD | CAF | H6 | 120.0° | 120.1° |
| CAP | CAG | CAE | 119.8° | 119.7° |
| CAP | CAG | H7 | 120.1° | 120.2° |
| CAD | CAE | CAG | 120.0° | 120.8° |
| CAE | CAD | H4 | 120.0° | 119.5° |
| CAD | CAE | H5 | 120.0° | 119.6° |
| CAG | CAE | H5 | 120.0° | 119.6° |
| CAE | CAG | H7 | 120.1° | 120.1° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.4° | 109.4° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H9 | CAI | H10 | 109.5° | 109.4° |
| H11 | NAB | H12 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAK | CAL | CAN | CAH | 53.0° | 5.9° |
| OAK | CAL | OAC | CAN | 179.9° | 179.9° |
| CAL | OAK | CAI | CAA | 47.5° | 180.0° |
| OAK | CAL | CAN | CAM | 127.0° | 174.8° |
| CAL | OAK | CAI | H9 | 167.5° | 60.1° |
| CAL | OAK | CAI | H10 | 72.5° | 59.9° |
| CAI | OAK | CAL | OAC | 80.2° | 0.1° |
| CAI | OAK | CAL | CAN | 99.8° | 180.0° |
| OAK | CAI | CAA | H9 | 120.0° | 120.0° |
| OAK | CAI | CAA | H10 | 120.0° | 120.1° |
| OAK | CAI | CAA | H1 | 180.0° | 60.0° |
| OAK | CAI | CAA | H2 | 60.0° | 60.0° |
| OAK | CAI | CAA | H3 | 60.0° | 179.9° |
| OAK | CAI | H9 | H10 | 120.0° | 120.0° |
| NAJ | CAH | CAN | H8 | 180.0° | 180.0° |
| NAJ | CAH | CAN | CAL | 180.0° | 180.0° |
| NAJ | CAH | CAN | CAM | 0.0° | 0.6° |
| CAH | NAJ | CAO | CAF | 180.0° | 180.0° |
| CAH | NAJ | CAO | CAP | 0.1° | 0.5° |
| CAH | CAN | CAL | OAC | 126.9° | 174.2° |
| CAH | CAN | CAL | CAM | 180.0° | 179.4° |
| CAN | CAH | NAJ | CAO | 0.0° | 0.0° |
| CAH | CAN | CAM | CAP | 0.0° | 0.5° |
| CAH | CAN | CAM | NAB | 179.9° | 179.5° |
| OAC | CAL | CAN | CAM | 53.1° | 5.2° |
| CAL | CAN | CAM | CAP | 180.0° | 179.9° |
| CAL | CAN | CAM | NAB | 0.0° | 0.2° |
| CAL | CAN | CAH | H8 | 0.0° | 0.0° |
| NAJ | CAO | CAF | CAP | 179.9° | 179.5° |
| NAJ | CAO | CAP | CAM | 0.1° | 0.5° |
| NAJ | CAO | CAF | CAD | 180.0° | 180.0° |
| NAJ | CAO | CAP | CAG | 180.0° | 179.7° |
| NAJ | CAO | CAF | H6 | 0.0° | 0.1° |
| CAO | NAJ | CAH | H8 | 180.0° | 179.9° |
| CAI | CAA | H1 | H2 | 120.0° | 120.0° |
| CAI | CAA | H1 | H3 | 120.0° | 120.0° |
| CAI | CAA | H2 | H3 | 120.0° | 120.1° |
| CAA | CAI | H9 | H10 | 120.0° | 119.9° |
| CAN | CAM | CAP | CAO | 0.0° | 0.0° |
| CAN | CAM | CAP | NAB | 179.9° | 179.9° |
| CAN | CAM | CAP | CAG | 180.0° | 179.2° |
| CAM | CAN | CAH | H8 | 180.0° | 179.4° |
| CAN | CAM | NAB | H11 | 180.0° | 174.3° |
| CAN | CAM | NAB | H12 | 60.0° | 5.8° |
| CAF | CAO | CAP | CAM | 180.0° | 180.0° |
| CAO | CAF | CAD | H6 | 180.0° | 179.9° |
| CAF | CAO | CAP | CAG | 0.1° | 0.8° |
| CAO | CAF | CAD | CAE | 0.1° | 0.0° |
| CAO | CAF | CAD | H4 | 180.0° | 179.8° |
| CAO | CAP | CAM | CAG | 180.0° | 179.1° |
| CAO | CAP | CAM | NAB | 180.0° | 179.9° |
| CAP | CAO | CAF | CAD | 0.1° | 0.5° |
| CAO | CAP | CAG | CAE | 0.1° | 0.5° |
| CAP | CAO | CAF | H6 | 179.9° | 179.4° |
| CAO | CAP | CAG | H7 | 179.9° | 179.4° |
| CAM | CAP | CAG | CAE | 179.9° | 179.7° |
| CAM | CAP | CAG | H7 | 0.0° | 0.3° |
| CAP | CAM | NAB | H11 | 0.1° | 5.6° |
| CAP | CAM | NAB | H12 | 120.1° | 174.3° |
| NAB | CAM | CAP | CAG | 0.1° | 0.8° |
| CAM | NAB | H11 | H12 | 120.0° | 179.9° |
| CAF | CAD | CAE | H4 | 180.0° | 179.8° |
| CAF | CAD | CAE | CAG | 0.1° | 0.3° |
| CAF | CAD | CAE | H5 | 180.0° | 179.7° |
| CAP | CAG | CAE | CAD | 0.1° | 0.0° |
| CAP | CAG | CAE | H7 | 180.0° | 180.0° |
| CAP | CAG | CAE | H5 | 179.9° | 180.0° |
| CAD | CAE | CAG | H5 | 180.0° | 180.0° |
| CAE | CAD | CAF | H6 | 179.9° | 179.9° |
| CAD | CAE | CAG | H7 | 179.9° | 180.0° |
| CAG | CAE | CAD | H4 | 179.9° | 179.9° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAI | H9 | 60.0° | 60.1° |
| H1 | CAA | CAI | H10 | 60.0° | 180.0° |
| H2 | CAA | CAI | H9 | 180.0° | 180.0° |
| H2 | CAA | CAI | H10 | 60.0° | 60.1° |
| H3 | CAA | CAI | H9 | 60.0° | 59.9° |
| H3 | CAA | CAI | H10 | 180.0° | 60.0° |
| H4 | CAD | CAE | H5 | 0.0° | 0.1° |
| H4 | CAD | CAF | H6 | 0.1° | 0.3° |
| H5 | CAE | CAG | H7 | 0.1° | 0.0° |
