1A5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAA | CAK | sing | 1.35Å | 1.43Å | |
| CAK | OAB | doub | 1.22Å | 1.21Å | |
| CAK | CAM | sing | 1.48Å | 1.49Å | |
| CAD | CAM | doub | 1.40Å | 1.39Å | Aromatic |
| CAD | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | CAE | sing | 1.40Å | 1.38Å | Aromatic |
| CAF | CAN | doub | 1.39Å | 1.39Å | Aromatic |
| CAE | CAG | doub | 1.38Å | 1.38Å | Aromatic |
| CAN | CAG | sing | 1.39Å | 1.38Å | Aromatic |
| CAN | NAO | sing | 1.40Å | 1.45Å | |
| CAI | NAO | sing | 1.47Å | 1.39Å | |
| CAI | CAH | sing | 1.54Å | 1.49Å | |
| NAO | CAL | sing | 1.34Å | 1.41Å | |
| CAH | OAJ | sing | 1.46Å | 1.42Å | |
| CAL | OAJ | sing | 1.34Å | 1.41Å | |
| CAL | OAC | doub | 1.22Å | 1.22Å | |
| CAH | H1 | sing | 1.09Å | 1.10Å | |
| CAH | H2 | sing | 1.09Å | 1.10Å | |
| CAI | H3 | sing | 1.09Å | 1.10Å | |
| CAI | H4 | sing | 1.09Å | 1.10Å | |
| CAF | H5 | sing | 1.08Å | 1.08Å | |
| CAD | H6 | sing | 1.08Å | 1.08Å | |
| NAA | H7 | sing | 0.97Å | 1.00Å | |
| NAA | H8 | sing | 0.97Å | 1.00Å | |
| CAE | H9 | sing | 1.08Å | 1.08Å | |
| CAG | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAA | CAK | OAB | 120.8° | 120.0° |
| NAA | CAK | CAM | 120.7° | 120.0° |
| CAK | NAA | H7 | 120.0° | 120.0° |
| CAK | NAA | H8 | 120.0° | 120.0° |
| OAB | CAK | CAM | 118.5° | 120.0° |
| CAK | CAM | CAD | 120.1° | 120.0° |
| CAK | CAM | CAE | 119.9° | 120.1° |
| CAM | CAD | CAF | 119.2° | 119.9° |
| CAD | CAM | CAE | 120.1° | 119.9° |
| CAM | CAD | H6 | 120.4° | 120.1° |
| CAD | CAF | CAN | 120.5° | 120.0° |
| CAD | CAF | H5 | 119.7° | 120.0° |
| CAF | CAD | H6 | 120.4° | 120.0° |
| CAM | CAE | CAG | 120.6° | 119.9° |
| CAM | CAE | H9 | 119.7° | 120.0° |
| CAF | CAN | CAG | 119.7° | 120.2° |
| CAF | CAN | NAO | 117.4° | 119.9° |
| CAN | CAF | H5 | 119.7° | 120.0° |
| CAE | CAG | CAN | 119.9° | 120.1° |
| CAG | CAE | H9 | 119.7° | 120.1° |
| CAE | CAG | H10 | 120.1° | 120.0° |
| CAG | CAN | NAO | 122.9° | 119.9° |
| CAN | CAG | H10 | 120.1° | 120.0° |
| CAN | NAO | CAI | 140.0° | 125.5° |
| CAN | NAO | CAL | 113.2° | 125.6° |
| NAO | CAI | CAH | 100.5° | 103.7° |
| CAI | NAO | CAL | 106.7° | 108.9° |
| NAO | CAI | H3 | 111.7° | 110.6° |
| NAO | CAI | H4 | 111.6° | 110.5° |
| CAI | CAH | OAJ | 103.6° | 104.0° |
| CAI | CAH | H1 | 110.9° | 110.5° |
| CAI | CAH | H2 | 110.9° | 110.7° |
| CAH | CAI | H3 | 111.6° | 110.9° |
| CAH | CAI | H4 | 111.7° | 110.3° |
| NAO | CAL | OAJ | 108.1° | 113.9° |
| NAO | CAL | OAC | 126.4° | 123.1° |
| CAH | OAJ | CAL | 104.6° | 109.5° |
| OAJ | CAH | H1 | 110.9° | 110.5° |
| OAJ | CAH | H2 | 110.9° | 110.5° |
| OAJ | CAL | OAC | 125.4° | 123.1° |
| H1 | CAH | H2 | 109.5° | 110.5° |
| H3 | CAI | H4 | 109.5° | 110.7° |
| H7 | NAA | H8 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAA | CAK | OAB | CAM | 179.7° | 180.0° |
| NAA | CAK | CAM | CAD | 5.6° | 180.0° |
| NAA | CAK | CAM | CAE | 174.2° | 0.1° |
| CAK | NAA | H7 | H8 | 180.0° | 179.9° |
| OAB | CAK | CAM | CAD | 174.7° | 0.0° |
| OAB | CAK | CAM | CAE | 5.5° | 179.9° |
| OAB | CAK | NAA | H7 | 0.0° | 0.1° |
| OAB | CAK | NAA | H8 | 180.0° | 180.0° |
| CAK | CAM | CAD | CAE | 179.8° | 179.9° |
| CAK | CAM | CAD | CAF | 179.2° | 180.0° |
| CAK | CAM | CAE | CAG | 179.7° | 180.0° |
| CAK | CAM | CAD | H6 | 0.8° | 0.1° |
| CAM | CAK | NAA | H7 | 179.7° | 180.0° |
| CAM | CAK | NAA | H8 | 0.4° | 0.1° |
| CAK | CAM | CAE | H9 | 0.3° | 0.1° |
| CAM | CAD | CAF | H6 | 180.0° | 180.0° |
| CAM | CAD | CAF | CAN | 1.2° | 0.0° |
| CAD | CAM | CAE | CAG | 0.1° | 0.1° |
| CAM | CAD | CAF | H5 | 178.8° | 179.9° |
| CAD | CAM | CAE | H9 | 179.9° | 180.0° |
| CAF | CAD | CAM | CAE | 0.6° | 0.1° |
| CAD | CAF | CAN | H5 | 180.0° | 179.9° |
| CAD | CAF | CAN | CAG | 1.3° | 0.0° |
| CAD | CAF | CAN | NAO | 179.6° | 179.7° |
| CAM | CAE | CAG | H9 | 180.0° | 179.9° |
| CAM | CAE | CAG | CAN | 0.2° | 0.1° |
| CAE | CAM | CAD | H6 | 179.3° | 180.0° |
| CAM | CAE | CAG | H10 | 179.8° | 179.7° |
| CAF | CAN | CAG | CAE | 0.8° | 0.0° |
| CAF | CAN | CAG | NAO | 178.2° | 179.7° |
| CAF | CAN | NAO | CAI | 75.0° | 5.4° |
| CAF | CAN | NAO | CAL | 101.8° | 174.2° |
| CAN | CAF | CAD | H6 | 178.7° | 180.0° |
| CAF | CAN | CAG | H10 | 179.3° | 179.7° |
| CAE | CAG | CAN | H10 | 180.0° | 179.6° |
| CAE | CAG | CAN | NAO | 179.0° | 179.7° |
| CAG | CAN | NAO | CAI | 106.8° | 174.3° |
| CAG | CAN | NAO | CAL | 76.5° | 6.1° |
| CAG | CAN | CAF | H5 | 178.7° | 179.9° |
| CAN | CAG | CAE | H9 | 179.8° | 180.0° |
| CAN | NAO | CAI | CAL | 176.9° | 179.7° |
| CAN | NAO | CAI | CAH | 142.4° | 180.0° |
| CAN | NAO | CAL | OAJ | 160.7° | 180.0° |
| CAN | NAO | CAL | OAC | 19.2° | 0.2° |
| CAN | NAO | CAI | H3 | 99.1° | 61.1° |
| CAN | NAO | CAI | H4 | 23.8° | 61.8° |
| NAO | CAN | CAF | H5 | 0.4° | 0.3° |
| NAO | CAN | CAG | H10 | 1.1° | 0.1° |
| NAO | CAI | CAH | H3 | 118.6° | 118.7° |
| NAO | CAI | CAH | H4 | 118.5° | 118.4° |
| NAO | CAI | CAH | OAJ | 40.3° | 0.2° |
| CAI | NAO | CAL | OAJ | 17.1° | 0.4° |
| CAI | NAO | CAL | OAC | 162.9° | 179.9° |
| NAO | CAI | CAH | H1 | 159.4° | 118.8° |
| NAO | CAI | CAH | H2 | 78.7° | 118.5° |
| NAO | CAI | H3 | H4 | 124.2° | 122.8° |
| CAH | CAI | NAO | CAL | 34.6° | 0.4° |
| CAI | CAH | OAJ | H1 | 119.0° | 118.6° |
| CAI | CAH | OAJ | H2 | 119.1° | 118.8° |
| CAI | CAH | OAJ | CAL | 30.4° | 0.1° |
| CAI | CAH | H1 | H2 | 122.8° | 122.8° |
| CAH | CAI | H3 | H4 | 124.2° | 122.7° |
| NAO | CAL | OAJ | CAH | 9.4° | 0.2° |
| NAO | CAL | OAJ | OAC | 180.0° | 179.7° |
| CAL | NAO | CAI | H3 | 84.0° | 118.6° |
| CAL | NAO | CAI | H4 | 153.1° | 118.6° |
| CAH | OAJ | CAL | OAC | 170.5° | 179.9° |
| OAJ | CAH | H1 | H2 | 122.7° | 122.6° |
| OAJ | CAH | CAI | H3 | 78.2° | 118.5° |
| OAJ | CAH | CAI | H4 | 158.9° | 118.6° |
| CAL | OAJ | CAH | H1 | 149.4° | 118.7° |
| CAL | OAJ | CAH | H2 | 88.7° | 118.8° |
| H1 | CAH | CAI | H3 | 40.8° | 0.1° |
| H1 | CAH | CAI | H4 | 82.1° | 122.8° |
| H2 | CAH | CAI | H3 | 162.7° | 122.8° |
| H2 | CAH | CAI | H4 | 39.8° | 0.1° |
| H5 | CAF | CAD | H6 | 1.2° | 0.0° |
| H9 | CAE | CAG | H10 | 0.2° | 0.4° |
