7SB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | CAO | sing | 1.74Å | 1.75Å | |
| CAD | CAB | sing | 1.41Å | 1.34Å | Aromatic |
| CAB | CAC | doub | 1.35Å | 1.34Å | Aromatic |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| OAN | CAC | sing | 1.34Å | 1.50Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAD | CAR | doub | 1.36Å | 1.32Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAO | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAO | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | CAP | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | CAP | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAP | CAI | sing | 1.51Å | 1.40Å | |
| CAI | NAL | sing | 1.46Å | 1.47Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAI | HAIA | sing | 1.09Å | 1.10Å | |
| NAM | NAJ | sing | 1.40Å | 1.26Å | Aromatic |
| CAQ | NAJ | sing | 1.36Å | 1.33Å | Aromatic |
| CAS | NAK | sing | 1.33Å | 1.34Å | Aromatic |
| NAK | CAQ | doub | 1.32Å | 1.34Å | Aromatic |
| NAL | CAS | sing | 1.40Å | 1.33Å | |
| NAL | HNAL | sing | 0.97Å | 1.00Å | |
| CAS | NAM | doub | 1.31Å | 1.34Å | Aromatic |
| CAR | OAN | sing | 1.35Å | 1.40Å | Aromatic |
| CAQ | CAR | sing | 1.47Å | 1.34Å | |
| NAJ | HNAJ | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | CAO | CAE | 119.3° | 120.0° |
| CL | CAO | CAF | 121.0° | 120.0° |
| CAD | CAB | CAC | 110.6° | 107.0° |
| CAD | CAB | HAB | 124.7° | 126.5° |
| CAB | CAD | CAR | 111.0° | 106.7° |
| CAB | CAD | HAD | 124.5° | 126.6° |
| CAC | CAB | HAB | 124.7° | 126.5° |
| CAB | CAC | OAN | 105.3° | 108.8° |
| CAB | CAC | HAC | 127.3° | 125.7° |
| OAN | CAC | HAC | 127.4° | 125.6° |
| CAC | OAN | CAR | 104.2° | 109.4° |
| CAR | CAD | HAD | 124.5° | 126.7° |
| CAD | CAR | OAN | 108.8° | 108.1° |
| CAD | CAR | CAQ | 126.3° | 126.0° |
| CAO | CAE | CAG | 120.2° | 120.0° |
| CAO | CAE | HAE | 119.9° | 120.1° |
| CAE | CAO | CAF | 119.6° | 120.0° |
| CAG | CAE | HAE | 119.9° | 120.0° |
| CAE | CAG | CAP | 120.5° | 120.0° |
| CAE | CAG | HAG | 119.8° | 120.0° |
| CAO | CAF | CAH | 120.1° | 120.0° |
| CAO | CAF | HAF | 120.0° | 120.0° |
| CAH | CAF | HAF | 120.0° | 120.0° |
| CAF | CAH | CAP | 120.2° | 120.0° |
| CAF | CAH | HAH | 119.9° | 120.0° |
| CAP | CAG | HAG | 119.8° | 120.0° |
| CAG | CAP | CAH | 119.4° | 120.0° |
| CAG | CAP | CAI | 119.9° | 120.0° |
| CAP | CAH | HAH | 119.9° | 119.9° |
| CAH | CAP | CAI | 120.6° | 120.0° |
| CAP | CAI | NAL | 111.5° | 109.5° |
| CAP | CAI | HAI | 109.0° | 109.5° |
| CAP | CAI | HAIA | 108.9° | 109.4° |
| NAL | CAI | HAI | 109.0° | 109.5° |
| NAL | CAI | HAIA | 109.0° | 109.4° |
| CAI | NAL | CAS | 120.2° | 120.0° |
| CAI | NAL | HNAL | 106.7° | 120.0° |
| HAI | CAI | HAIA | 109.4° | 109.5° |
| NAM | NAJ | CAQ | 110.0° | 106.3° |
| NAJ | NAM | CAS | 107.1° | 107.1° |
| NAM | NAJ | HNAJ | 125.0° | 126.8° |
| NAJ | CAQ | NAK | 108.9° | 107.7° |
| NAJ | CAQ | CAR | 124.9° | 126.2° |
| CAQ | NAJ | HNAJ | 125.0° | 126.9° |
| CAS | NAK | CAQ | 103.7° | 109.7° |
| NAK | CAS | NAL | 125.3° | 125.4° |
| NAK | CAS | NAM | 110.2° | 109.2° |
| NAK | CAQ | CAR | 126.1° | 126.1° |
| CAS | NAL | HNAL | 106.8° | 120.0° |
| NAL | CAS | NAM | 124.5° | 125.4° |
| OAN | CAR | CAQ | 124.7° | 125.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | CAO | CAE | CAF | 177.9° | 180.0° |
| CL | CAO | CAE | CAG | 179.2° | 180.0° |
| CL | CAO | CAE | HAE | 0.8° | 0.3° |
| CL | CAO | CAF | CAH | 179.0° | 179.5° |
| CL | CAO | CAF | HAF | 1.0° | 0.3° |
| CAD | CAB | CAC | HAB | 180.0° | 179.8° |
| CAD | CAB | CAC | OAN | 1.2° | 0.2° |
| CAD | CAB | CAC | HAC | 178.8° | 179.8° |
| CAB | CAD | CAR | HAD | 180.0° | 180.0° |
| CAB | CAD | CAR | OAN | 0.8° | 0.2° |
| CAB | CAD | CAR | CAQ | 176.4° | 180.0° |
| CAB | CAC | OAN | HAC | 180.0° | 180.0° |
| CAC | CAB | CAD | CAR | 1.3° | 0.0° |
| CAC | CAB | CAD | HAD | 178.6° | 180.0° |
| CAB | CAC | OAN | CAR | 0.7° | 0.4° |
| HAB | CAB | CAC | OAN | 178.8° | 180.0° |
| HAB | CAB | CAC | HAC | 1.3° | 0.0° |
| HAB | CAB | CAD | CAR | 178.6° | 179.8° |
| HAB | CAB | CAD | HAD | 1.4° | 0.2° |
| CAC | OAN | CAR | CAD | 0.1° | 0.4° |
| CAC | OAN | CAR | CAQ | 175.7° | 179.8° |
| HAC | CAC | OAN | CAR | 179.3° | 179.6° |
| CAD | CAR | CAQ | NAJ | 160.8° | 179.7° |
| CAD | CAR | CAQ | NAK | 24.1° | 0.0° |
| CAD | CAR | OAN | CAQ | 175.6° | 179.8° |
| HAD | CAD | CAR | OAN | 179.2° | 179.8° |
| HAD | CAD | CAR | CAQ | 3.6° | 0.0° |
| CAO | CAE | CAG | HAE | 180.0° | 179.7° |
| CAE | CAO | CAF | CAH | 1.1° | 0.6° |
| CAE | CAO | CAF | HAF | 178.9° | 179.7° |
| CAO | CAE | CAG | CAP | 1.4° | 0.3° |
| CAO | CAE | CAG | HAG | 178.6° | 179.7° |
| CAG | CAE | CAO | CAF | 1.3° | 0.0° |
| CAE | CAG | CAP | HAG | 180.0° | 180.0° |
| CAE | CAG | CAP | CAH | 1.2° | 0.0° |
| CAE | CAG | CAP | CAI | 179.7° | 180.0° |
| HAE | CAE | CAO | CAF | 178.7° | 179.7° |
| HAE | CAE | CAG | CAP | 178.6° | 180.0° |
| HAE | CAE | CAG | HAG | 1.4° | 0.0° |
| CAO | CAF | CAH | HAF | 180.0° | 179.2° |
| CAO | CAF | CAH | CAP | 0.9° | 0.8° |
| CAO | CAF | CAH | HAH | 179.0° | 179.2° |
| CAF | CAH | CAP | CAG | 1.0° | 0.5° |
| CAF | CAH | CAP | HAH | 180.0° | 180.0° |
| CAF | CAH | CAP | CAI | 179.9° | 179.5° |
| HAF | CAF | CAH | CAP | 179.1° | 180.0° |
| HAF | CAF | CAH | HAH | 1.0° | 0.0° |
| CAG | CAP | CAH | CAI | 179.1° | 180.0° |
| CAG | CAP | CAH | HAH | 179.0° | 179.4° |
| CAG | CAP | CAI | NAL | 76.7° | 90.0° |
| CAG | CAP | CAI | HAI | 163.0° | 30.0° |
| CAG | CAP | CAI | HAIA | 43.7° | 150.0° |
| HAG | CAG | CAP | CAH | 178.8° | 180.0° |
| HAG | CAG | CAP | CAI | 0.3° | 0.1° |
| CAH | CAP | CAI | NAL | 104.3° | 90.0° |
| CAH | CAP | CAI | HAI | 16.1° | 149.9° |
| CAH | CAP | CAI | HAIA | 135.4° | 30.0° |
| HAH | CAH | CAP | CAI | 0.1° | 0.5° |
| CAP | CAI | NAL | HAI | 120.3° | 120.0° |
| CAP | CAI | NAL | HAIA | 120.3° | 119.9° |
| CAP | CAI | HAI | HAIA | 119.0° | 119.9° |
| CAP | CAI | NAL | CAS | 154.9° | 180.0° |
| CAP | CAI | NAL | HNAL | 83.6° | 0.1° |
| NAL | CAI | HAI | HAIA | 119.1° | 120.0° |
| CAI | NAL | CAS | NAK | 9.4° | 179.9° |
| CAI | NAL | CAS | HNAL | 121.5° | 179.9° |
| CAI | NAL | CAS | NAM | 169.4° | 0.1° |
| HAI | CAI | NAL | CAS | 34.6° | 60.0° |
| HAI | CAI | NAL | HNAL | 156.1° | 120.0° |
| HAIA | CAI | NAL | CAS | 84.8° | 60.1° |
| HAIA | CAI | NAL | HNAL | 36.7° | 120.0° |
| NAM | NAJ | CAQ | HNAJ | 180.0° | 179.6° |
| NAJ | NAM | CAS | NAK | 0.5° | 0.2° |
| NAM | NAJ | CAQ | NAK | 3.2° | 0.4° |
| NAJ | NAM | CAS | NAL | 178.4° | 179.8° |
| NAM | NAJ | CAQ | CAR | 179.1° | 179.9° |
| NAJ | CAQ | NAK | CAS | 2.7° | 0.3° |
| NAJ | CAQ | NAK | CAR | 175.8° | 179.8° |
| CAQ | NAJ | NAM | CAS | 2.2° | 0.3° |
| NAJ | CAQ | CAR | OAN | 24.3° | 0.0° |
| NAK | CAS | NAL | NAM | 178.7° | 180.0° |
| NAK | CAS | NAL | HNAL | 112.1° | 0.0° |
| CAS | NAK | CAQ | CAR | 178.5° | 180.0° |
| CAQ | NAK | CAS | NAL | 179.7° | 180.0° |
| CAQ | NAK | CAS | NAM | 1.4° | 0.0° |
| NAK | CAQ | CAR | OAN | 150.8° | 179.7° |
| NAK | CAQ | NAJ | HNAJ | 176.8° | 180.0° |
| HNAL | NAL | CAS | NAM | 69.1° | 180.0° |
| CAS | NAM | NAJ | HNAJ | 177.8° | 180.0° |
| CAR | CAQ | NAJ | HNAJ | 1.0° | 0.2° |
