7AA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | OAO | sing | 1.43Å | 1.53Å | |
| NAB | CAQ | doub | 1.30Å | 1.35Å | |
| OAO | CAQ | sing | 1.35Å | 1.35Å | |
| CAQ | CAV | sing | 1.48Å | 1.31Å | |
| CAV | NAM | doub | 1.29Å | 1.31Å | Aromatic |
| CAV | SAP | sing | 1.76Å | 1.61Å | Aromatic |
| NAM | CAX | sing | 1.33Å | 1.37Å | Aromatic |
| SAP | CAY | sing | 1.76Å | 1.64Å | Aromatic |
| CAX | CAY | doub | 1.40Å | 1.34Å | Aromatic |
| CAX | CAI | sing | 1.42Å | 1.30Å | Aromatic |
| CAY | C5 | sing | 1.41Å | 1.32Å | Aromatic |
| CAG | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAT | sing | 1.39Å | 1.40Å | Aromatic |
| CAF | CAR | sing | 1.38Å | 1.41Å | Aromatic |
| NAN | CAT | sing | 1.40Å | 1.36Å | |
| NAN | C6 | sing | 1.38Å | 1.35Å | |
| CAI | CAH | doub | 1.35Å | 1.40Å | Aromatic |
| CAT | CAS | doub | 1.39Å | 1.41Å | Aromatic |
| CAR | CL2 | sing | 1.74Å | 1.70Å | |
| CAR | CAJ | doub | 1.38Å | 1.38Å | Aromatic |
| CAS | CAJ | sing | 1.38Å | 1.40Å | Aromatic |
| CAS | CL1 | sing | 1.74Å | 1.69Å | |
| C5 | C6 | sing | 1.41Å | 1.44Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.41Å | Aromatic |
| C6 | N1 | doub | 1.33Å | 1.37Å | Aromatic |
| CAH | C4 | sing | 1.41Å | 1.37Å | Aromatic |
| C4 | N3 | sing | 1.34Å | 1.34Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.41Å | Aromatic |
| N3 | C2 | doub | 1.31Å | 1.41Å | Aromatic |
| CAJ | H1 | sing | 1.08Å | 1.08Å | |
| CAF | H2 | sing | 1.08Å | 1.08Å | |
| CAG | H3 | sing | 1.08Å | 1.08Å | |
| NAN | H4 | sing | 0.97Å | 1.00Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| CAH | H6 | sing | 1.08Å | 1.08Å | |
| CAI | H7 | sing | 1.08Å | 1.08Å | |
| NAB | H9 | sing | 0.97Å | 1.00Å | |
| CAA | H12 | sing | 1.09Å | 1.10Å | |
| CAA | H13 | sing | 1.09Å | 1.10Å | |
| CAA | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | OAO | CAQ | 111.0° | 116.9° |
| OAO | CAA | H12 | 109.5° | 109.4° |
| OAO | CAA | H13 | 109.5° | 109.5° |
| OAO | CAA | H14 | 109.5° | 109.5° |
| NAB | CAQ | OAO | 128.5° | 120.0° |
| NAB | CAQ | CAV | 114.6° | 120.0° |
| CAQ | NAB | H9 | 112.0° | 120.0° |
| OAO | CAQ | CAV | 115.8° | 120.0° |
| CAQ | CAV | NAM | 123.7° | 125.0° |
| CAQ | CAV | SAP | 125.0° | 124.9° |
| NAM | CAV | SAP | 111.3° | 110.1° |
| CAV | NAM | CAX | 111.2° | 118.3° |
| CAV | SAP | CAY | 95.4° | 90.3° |
| NAM | CAX | CAY | 114.7° | 113.0° |
| NAM | CAX | CAI | 126.6° | 128.3° |
| SAP | CAY | CAX | 107.3° | 108.4° |
| SAP | CAY | C5 | 130.4° | 131.7° |
| CAY | CAX | CAI | 118.7° | 118.8° |
| CAX | CAY | C5 | 122.3° | 120.0° |
| CAX | CAI | CAH | 124.3° | 121.6° |
| CAX | CAI | H7 | 117.9° | 119.3° |
| CAY | C5 | C6 | 121.8° | 121.8° |
| CAY | C5 | C4 | 119.3° | 119.8° |
| CAF | CAG | CAT | 121.6° | 119.9° |
| CAG | CAF | CAR | 119.1° | 120.1° |
| CAG | CAF | H2 | 120.4° | 120.0° |
| CAF | CAG | H3 | 119.2° | 120.0° |
| CAG | CAT | NAN | 121.7° | 120.0° |
| CAG | CAT | CAS | 118.2° | 119.9° |
| CAT | CAG | H3 | 119.2° | 120.0° |
| CAF | CAR | CL2 | 121.6° | 119.9° |
| CAF | CAR | CAJ | 120.3° | 120.1° |
| CAR | CAF | H2 | 120.5° | 119.9° |
| CAT | NAN | C6 | 121.9° | 120.0° |
| NAN | CAT | CAS | 119.8° | 120.1° |
| CAT | NAN | H4 | 119.1° | 119.9° |
| NAN | C6 | C5 | 118.1° | 120.9° |
| NAN | C6 | N1 | 122.0° | 120.9° |
| C6 | NAN | H4 | 119.0° | 120.0° |
| CAI | CAH | C4 | 116.1° | 120.5° |
| CAI | CAH | H6 | 121.9° | 119.7° |
| CAH | CAI | H7 | 117.9° | 119.2° |
| CAT | CAS | CAJ | 120.3° | 119.9° |
| CAT | CAS | CL1 | 123.9° | 120.0° |
| CL2 | CAR | CAJ | 118.1° | 120.0° |
| CAR | CAJ | CAS | 120.4° | 120.0° |
| CAR | CAJ | H1 | 119.8° | 119.9° |
| CAJ | CAS | CL1 | 115.8° | 120.0° |
| CAS | CAJ | H1 | 119.8° | 120.0° |
| C6 | C5 | C4 | 119.0° | 118.3° |
| C5 | C6 | N1 | 119.8° | 118.2° |
| C5 | C4 | CAH | 119.4° | 119.4° |
| C5 | C4 | N3 | 122.0° | 118.7° |
| C6 | N1 | C2 | 118.5° | 121.4° |
| CAH | C4 | N3 | 118.5° | 121.9° |
| C4 | CAH | H6 | 121.9° | 119.7° |
| C4 | N3 | C2 | 118.1° | 120.5° |
| N1 | C2 | N3 | 122.5° | 122.9° |
| N1 | C2 | H5 | 118.7° | 118.5° |
| N3 | C2 | H5 | 118.7° | 118.6° |
| H12 | CAA | H13 | 109.4° | 109.4° |
| H12 | CAA | H14 | 109.5° | 109.5° |
| H13 | CAA | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | OAO | CAQ | NAB | 7.5° | 0.0° |
| CAA | OAO | CAQ | CAV | 174.3° | 180.0° |
| OAO | CAA | H12 | H13 | 120.0° | 120.0° |
| OAO | CAA | H12 | H14 | 120.0° | 119.9° |
| OAO | CAA | H13 | H14 | 120.0° | 120.0° |
| NAB | CAQ | OAO | CAV | 166.9° | 180.0° |
| NAB | CAQ | CAV | NAM | 13.5° | 180.0° |
| NAB | CAQ | CAV | SAP | 166.4° | 0.4° |
| OAO | CAQ | CAV | NAM | 177.7° | 0.0° |
| OAO | CAQ | CAV | SAP | 2.3° | 179.6° |
| OAO | CAQ | NAB | H9 | 167.0° | 180.0° |
| CAQ | OAO | CAA | H12 | 180.0° | 180.0° |
| CAQ | OAO | CAA | H13 | 60.0° | 60.0° |
| CAQ | OAO | CAA | H14 | 60.0° | 60.0° |
| CAQ | CAV | NAM | SAP | 180.0° | 179.6° |
| CAQ | CAV | NAM | CAX | 178.9° | 179.9° |
| CAQ | CAV | SAP | CAY | 179.2° | 180.0° |
| CAV | CAQ | NAB | H9 | 0.0° | 0.1° |
| NAM | CAV | SAP | CAY | 0.8° | 0.4° |
| CAV | NAM | CAX | CAY | 3.1° | 0.1° |
| CAV | NAM | CAX | CAI | 179.4° | 179.6° |
| SAP | CAV | NAM | CAX | 1.1° | 0.3° |
| CAV | SAP | CAY | CAX | 2.4° | 0.4° |
| CAV | SAP | CAY | C5 | 177.7° | 180.0° |
| NAM | CAX | CAY | SAP | 3.5° | 0.4° |
| NAM | CAX | CAY | CAI | 177.7° | 179.6° |
| NAM | CAX | CAY | C5 | 176.6° | 180.0° |
| NAM | CAX | CAI | CAH | 176.3° | 179.9° |
| NAM | CAX | CAI | H7 | 3.7° | 0.2° |
| SAP | CAY | CAX | C5 | 179.9° | 179.7° |
| SAP | CAY | CAX | CAI | 178.8° | 180.0° |
| SAP | CAY | C5 | C6 | 1.1° | 0.4° |
| SAP | CAY | C5 | C4 | 179.9° | 179.7° |
| CAY | CAX | CAI | CAH | 1.1° | 0.3° |
| CAX | CAY | C5 | C6 | 179.0° | 179.9° |
| CAX | CAY | C5 | C4 | 0.0° | 0.1° |
| CAY | CAX | CAI | H7 | 178.9° | 179.7° |
| CAI | CAX | CAY | C5 | 1.1° | 0.4° |
| CAX | CAI | CAH | H7 | 180.0° | 180.0° |
| CAX | CAI | CAH | C4 | 0.0° | 0.0° |
| CAX | CAI | CAH | H6 | 180.0° | 179.9° |
| CAY | C5 | C6 | NAN | 1.9° | 0.0° |
| CAY | C5 | C6 | C4 | 179.1° | 180.0° |
| CAY | C5 | C6 | N1 | 179.6° | 180.0° |
| CAY | C5 | C4 | CAH | 1.1° | 0.3° |
| CAY | C5 | C4 | N3 | 178.3° | 179.9° |
| CAF | CAG | CAT | H3 | 180.0° | 179.8° |
| CAG | CAF | CAR | H2 | 180.0° | 179.9° |
| CAF | CAG | CAT | NAN | 177.8° | 180.0° |
| CAF | CAG | CAT | CAS | 4.7° | 0.5° |
| CAG | CAF | CAR | CL2 | 177.1° | 180.0° |
| CAG | CAF | CAR | CAJ | 0.6° | 0.0° |
| CAT | CAG | CAF | CAR | 3.2° | 0.2° |
| CAG | CAT | NAN | CAS | 172.9° | 179.5° |
| CAG | CAT | NAN | C6 | 105.0° | 16.0° |
| CAG | CAT | CAS | CAJ | 3.8° | 0.5° |
| CAG | CAT | CAS | CL1 | 177.3° | 179.7° |
| CAT | CAG | CAF | H2 | 176.8° | 179.7° |
| CAG | CAT | NAN | H4 | 75.0° | 164.0° |
| CAF | CAR | CL2 | CAJ | 177.8° | 180.0° |
| CAF | CAR | CAJ | CAS | 0.3° | 0.0° |
| CAF | CAR | CAJ | H1 | 179.8° | 179.9° |
| CAR | CAF | CAG | H3 | 176.8° | 179.9° |
| CAT | NAN | C6 | H4 | 180.0° | 180.0° |
| NAN | CAT | CAS | CAJ | 176.9° | 180.0° |
| NAN | CAT | CAS | CL1 | 4.1° | 0.2° |
| CAT | NAN | C6 | C5 | 171.3° | 173.9° |
| CAT | NAN | C6 | N1 | 6.5° | 6.1° |
| NAN | CAT | CAG | H3 | 2.3° | 0.1° |
| C6 | NAN | CAT | CAS | 82.1° | 164.5° |
| NAN | C6 | C5 | N1 | 177.8° | 180.0° |
| NAN | C6 | C5 | C4 | 177.2° | 180.0° |
| NAN | C6 | N1 | C2 | 178.9° | 180.0° |
| CAI | CAH | C4 | C5 | 1.1° | 0.3° |
| CAI | CAH | C4 | H6 | 180.0° | 179.9° |
| CAI | CAH | C4 | N3 | 178.4° | 180.0° |
| CAT | CAS | CAJ | CAR | 1.3° | 0.3° |
| CAT | CAS | CAJ | CL1 | 179.1° | 179.8° |
| CAT | CAS | CAJ | H1 | 178.6° | 179.8° |
| CAS | CAT | CAG | H3 | 175.3° | 179.7° |
| CAS | CAT | NAN | H4 | 97.9° | 15.6° |
| CL2 | CAR | CAJ | CAS | 178.1° | 180.0° |
| CL2 | CAR | CAJ | H1 | 2.0° | 0.1° |
| CL2 | CAR | CAF | H2 | 2.9° | 0.0° |
| CAR | CAJ | CAS | H1 | 180.0° | 179.9° |
| CAR | CAJ | CAS | CL1 | 179.6° | 180.0° |
| CAJ | CAR | CAF | H2 | 179.4° | 180.0° |
| CL1 | CAS | CAJ | H1 | 0.4° | 0.0° |
| C6 | C5 | C4 | CAH | 179.8° | 179.7° |
| C6 | C5 | C4 | N3 | 2.6° | 0.0° |
| C5 | C6 | N1 | C2 | 1.2° | 0.0° |
| C5 | C6 | NAN | H4 | 8.7° | 6.1° |
| C4 | C5 | C6 | N1 | 0.6° | 0.0° |
| C5 | C4 | CAH | N3 | 177.3° | 179.7° |
| C5 | C4 | N3 | C2 | 2.7° | 0.1° |
| C5 | C4 | CAH | H6 | 178.9° | 179.8° |
| C6 | N1 | C2 | N3 | 1.1° | 0.1° |
| N1 | C6 | NAN | H4 | 173.5° | 173.9° |
| C6 | N1 | C2 | H5 | 178.9° | 180.0° |
| CAH | C4 | N3 | C2 | 179.9° | 179.7° |
| C4 | CAH | CAI | H7 | 179.9° | 180.0° |
| C4 | N3 | C2 | N1 | 0.9° | 0.1° |
| C4 | N3 | C2 | H5 | 179.1° | 180.0° |
| N3 | C4 | CAH | H6 | 1.6° | 0.1° |
| N1 | C2 | N3 | H5 | 180.0° | 179.9° |
| H2 | CAF | CAG | H3 | 3.2° | 0.1° |
| H6 | CAH | CAI | H7 | 0.1° | 0.1° |
| H12 | CAA | H13 | H14 | 120.0° | 120.0° |
