5S9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAJ | CAE | doub | 1.31Å | 1.34Å | Aromatic |
| NAJ | NAQ | sing | 1.28Å | 1.24Å | Aromatic |
| CAA | NAQ | sing | 1.46Å | 1.48Å | |
| CAE | CAF | sing | 1.40Å | 1.33Å | Aromatic |
| NAQ | CAP | sing | 1.37Å | 1.34Å | Aromatic |
| CAF | CAP | doub | 1.38Å | 1.33Å | Aromatic |
| CAP | CAL | sing | 1.47Å | 1.36Å | |
| OAB | CAL | doub | 1.22Å | 1.23Å | |
| CAL | NAK | sing | 1.35Å | 1.36Å | |
| NAK | CAO | sing | 1.40Å | 1.37Å | |
| CAH | CAO | doub | 1.39Å | 1.40Å | Aromatic |
| CAH | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | CAN | sing | 1.39Å | 1.40Å | Aromatic |
| CAG | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAN | FAD | sing | 1.35Å | 1.34Å | |
| CAN | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAM | CAI | sing | 1.39Å | 1.39Å | Aromatic |
| CAM | FAC | sing | 1.35Å | 1.40Å | |
| CAI | H1 | sing | 1.08Å | 1.08Å | |
| CAG | H2 | sing | 1.08Å | 1.08Å | |
| CAH | H3 | sing | 1.08Å | 1.08Å | |
| NAK | H4 | sing | 0.97Å | 1.00Å | |
| CAF | H5 | sing | 1.08Å | 1.08Å | |
| CAE | H6 | sing | 1.08Å | 1.08Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| CAA | H9 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAE | NAJ | NAQ | 109.0° | 110.9° |
| NAJ | CAE | CAF | 107.9° | 107.9° |
| NAJ | CAE | H6 | 126.0° | 126.0° |
| NAJ | NAQ | CAA | 119.7° | 125.2° |
| NAJ | NAQ | CAP | 109.7° | 109.6° |
| CAA | NAQ | CAP | 130.6° | 125.2° |
| NAQ | CAA | H7 | 109.5° | 109.5° |
| NAQ | CAA | H8 | 109.5° | 109.5° |
| NAQ | CAA | H9 | 109.5° | 109.5° |
| CAE | CAF | CAP | 106.0° | 105.4° |
| CAE | CAF | H5 | 127.0° | 127.3° |
| CAF | CAE | H6 | 126.0° | 126.1° |
| NAQ | CAP | CAF | 107.4° | 106.3° |
| NAQ | CAP | CAL | 127.4° | 126.8° |
| CAF | CAP | CAL | 125.2° | 126.9° |
| CAP | CAF | H5 | 127.0° | 127.4° |
| CAP | CAL | OAB | 120.8° | 120.0° |
| CAP | CAL | NAK | 116.0° | 120.0° |
| OAB | CAL | NAK | 123.1° | 120.0° |
| CAL | NAK | CAO | 121.6° | 120.0° |
| CAL | NAK | H4 | 119.2° | 120.0° |
| NAK | CAO | CAH | 124.7° | 120.1° |
| NAK | CAO | CAN | 116.6° | 120.0° |
| CAO | NAK | H4 | 119.2° | 120.0° |
| CAO | CAH | CAG | 120.7° | 120.0° |
| CAH | CAO | CAN | 118.7° | 119.9° |
| CAO | CAH | H3 | 119.7° | 120.0° |
| CAH | CAG | CAM | 120.0° | 120.1° |
| CAH | CAG | H2 | 120.0° | 120.0° |
| CAG | CAH | H3 | 119.6° | 120.0° |
| CAO | CAN | FAD | 120.9° | 120.1° |
| CAO | CAN | CAI | 120.5° | 119.9° |
| CAG | CAM | CAI | 119.6° | 120.1° |
| CAG | CAM | FAC | 120.6° | 120.0° |
| CAM | CAG | H2 | 120.0° | 120.0° |
| FAD | CAN | CAI | 118.6° | 120.1° |
| CAN | CAI | CAM | 120.4° | 120.0° |
| CAN | CAI | H1 | 119.8° | 120.0° |
| CAI | CAM | FAC | 119.7° | 119.9° |
| CAM | CAI | H1 | 119.8° | 120.0° |
| H7 | CAA | H8 | 109.5° | 109.5° |
| H7 | CAA | H9 | 109.5° | 109.4° |
| H8 | CAA | H9 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAE | NAJ | NAQ | CAA | 179.5° | 180.0° |
| NAJ | CAE | CAF | H6 | 180.0° | 179.9° |
| CAE | NAJ | NAQ | CAP | 0.5° | 0.4° |
| NAJ | CAE | CAF | CAP | 0.3° | 0.0° |
| NAJ | CAE | CAF | H5 | 179.7° | 180.0° |
| NAJ | NAQ | CAA | CAP | 178.8° | 179.5° |
| NAQ | NAJ | CAE | CAF | 0.1° | 0.3° |
| NAJ | NAQ | CAP | CAF | 0.7° | 0.4° |
| NAJ | NAQ | CAP | CAL | 179.5° | 179.9° |
| NAQ | NAJ | CAE | H6 | 179.9° | 179.8° |
| NAJ | NAQ | CAA | H7 | 0.0° | 97.0° |
| NAJ | NAQ | CAA | H8 | 120.0° | 143.0° |
| NAJ | NAQ | CAA | H9 | 120.0° | 23.0° |
| CAA | NAQ | CAP | CAF | 179.6° | 180.0° |
| CAA | NAQ | CAP | CAL | 1.6° | 0.3° |
| NAQ | CAA | H7 | H8 | 120.0° | 120.0° |
| NAQ | CAA | H7 | H9 | 120.0° | 120.0° |
| NAQ | CAA | H8 | H9 | 120.0° | 120.0° |
| CAE | CAF | CAP | NAQ | 0.6° | 0.2° |
| CAE | CAF | CAP | H5 | 180.0° | 179.9° |
| CAE | CAF | CAP | CAL | 179.4° | 179.9° |
| NAQ | CAP | CAF | CAL | 178.8° | 179.7° |
| NAQ | CAP | CAL | OAB | 13.1° | 173.0° |
| NAQ | CAP | CAL | NAK | 168.3° | 6.9° |
| NAQ | CAP | CAF | H5 | 179.4° | 179.7° |
| CAP | NAQ | CAA | H7 | 178.8° | 83.4° |
| CAP | NAQ | CAA | H8 | 58.8° | 36.6° |
| CAP | NAQ | CAA | H9 | 61.2° | 156.6° |
| CAF | CAP | CAL | OAB | 165.5° | 7.3° |
| CAF | CAP | CAL | NAK | 13.1° | 172.7° |
| CAP | CAF | CAE | H6 | 179.7° | 180.0° |
| CAP | CAL | OAB | NAK | 178.5° | 180.0° |
| CAP | CAL | NAK | CAO | 178.0° | 177.4° |
| CAP | CAL | NAK | H4 | 2.0° | 2.7° |
| CAL | CAP | CAF | H5 | 0.6° | 0.0° |
| OAB | CAL | NAK | CAO | 0.6° | 2.6° |
| OAB | CAL | NAK | H4 | 179.4° | 177.3° |
| CAL | NAK | CAO | H4 | 180.0° | 179.9° |
| CAL | NAK | CAO | CAH | 36.0° | 28.5° |
| CAL | NAK | CAO | CAN | 145.8° | 151.0° |
| NAK | CAO | CAH | CAN | 178.2° | 179.5° |
| NAK | CAO | CAH | CAG | 179.5° | 180.0° |
| NAK | CAO | CAN | FAD | 1.0° | 0.3° |
| NAK | CAO | CAN | CAI | 179.4° | 180.0° |
| NAK | CAO | CAH | H3 | 0.5° | 0.5° |
| CAO | CAH | CAG | H3 | 180.0° | 179.6° |
| CAO | CAH | CAG | CAM | 0.8° | 0.2° |
| CAH | CAO | CAN | FAD | 179.3° | 179.8° |
| CAH | CAO | CAN | CAI | 1.0° | 0.5° |
| CAO | CAH | CAG | H2 | 179.1° | 179.8° |
| CAH | CAO | NAK | H4 | 144.0° | 151.4° |
| CAG | CAH | CAO | CAN | 1.3° | 0.5° |
| CAH | CAG | CAM | H2 | 180.0° | 180.0° |
| CAH | CAG | CAM | CAI | 0.2° | 0.0° |
| CAH | CAG | CAM | FAC | 179.6° | 180.0° |
| CAO | CAN | FAD | CAI | 179.6° | 179.7° |
| CAO | CAN | CAI | CAM | 0.4° | 0.3° |
| CAO | CAN | CAI | H1 | 179.6° | 179.8° |
| CAN | CAO | CAH | H3 | 178.7° | 179.9° |
| CAN | CAO | NAK | H4 | 34.2° | 29.1° |
| CAG | CAM | CAI | CAN | 0.0° | 0.0° |
| CAG | CAM | CAI | FAC | 179.8° | 180.0° |
| CAG | CAM | CAI | H1 | 180.0° | 180.0° |
| CAM | CAG | CAH | H3 | 179.1° | 179.8° |
| FAD | CAN | CAI | CAM | 179.9° | 180.0° |
| FAD | CAN | CAI | H1 | 0.1° | 0.1° |
| CAN | CAI | CAM | H1 | 180.0° | 179.9° |
| CAN | CAI | CAM | FAC | 179.9° | 179.9° |
| CAI | CAM | CAG | H2 | 179.8° | 180.0° |
| FAC | CAM | CAI | H1 | 0.2° | 0.0° |
| FAC | CAM | CAG | H2 | 0.4° | 0.0° |
| H2 | CAG | CAH | H3 | 0.9° | 0.2° |
| H5 | CAF | CAE | H6 | 0.3° | 0.1° |
| H7 | CAA | H8 | H9 | 120.0° | 120.0° |
