7Q7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAW | NAV | sing | 1.37Å | 1.33Å | Aromatic |
| CAW | CAX | doub | 1.34Å | 1.33Å | Aromatic |
| NAV | CAT | sing | 1.38Å | 1.33Å | Aromatic |
| CAX | CAU | sing | 1.46Å | 1.34Å | Aromatic |
| CAT | CAS | doub | 1.39Å | 1.34Å | Aromatic |
| CAT | CAU | sing | 1.41Å | 1.35Å | Aromatic |
| CAS | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAU | CAP | doub | 1.41Å | 1.36Å | Aromatic |
| CAR | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| CAP | CAQ | sing | 1.39Å | 1.41Å | Aromatic |
| CAP | CAN | sing | 1.48Å | 1.35Å | |
| NAM | CAN | sing | 1.37Å | 1.33Å | Aromatic |
| NAM | CAK | sing | 1.38Å | 1.33Å | Aromatic |
| CAN | NAO | doub | 1.31Å | 1.33Å | Aromatic |
| CAK | CAJ | doub | 1.39Å | 1.34Å | Aromatic |
| CAK | CAL | sing | 1.41Å | 1.35Å | Aromatic |
| CAJ | CAI | sing | 1.38Å | 1.38Å | Aromatic |
| NAO | CAL | sing | 1.35Å | 1.33Å | Aromatic |
| CAL | CAG | doub | 1.41Å | 1.35Å | Aromatic |
| CAI | NAH | doub | 1.32Å | 1.40Å | Aromatic |
| CAG | NAH | sing | 1.33Å | 1.34Å | Aromatic |
| CAG | CAF | sing | 1.48Å | 1.40Å | |
| CAA | CAF | doub | 1.40Å | 1.41Å | Aromatic |
| CAA | CAB | sing | 1.38Å | 1.39Å | Aromatic |
| CAZ | OAY | sing | 1.43Å | 1.44Å | |
| CAF | CAE | sing | 1.40Å | 1.41Å | Aromatic |
| OAY | CAB | sing | 1.36Å | 1.36Å | |
| CAB | CAC | doub | 1.39Å | 1.39Å | Aromatic |
| CAE | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAC | CAD | sing | 1.39Å | 1.39Å | Aromatic |
| CAC | OBA | sing | 1.36Å | 1.36Å | |
| CAD | OBC | sing | 1.36Å | 1.37Å | |
| OBA | CBB | sing | 1.43Å | 1.43Å | |
| OBC | CBD | sing | 1.43Å | 1.41Å | |
| CAZ | H1 | sing | 1.09Å | 1.10Å | |
| CAZ | H2 | sing | 1.09Å | 1.10Å | |
| CAZ | H3 | sing | 1.09Å | 1.10Å | |
| CAA | H4 | sing | 1.08Å | 1.08Å | |
| CBB | H5 | sing | 1.09Å | 1.10Å | |
| CBB | H6 | sing | 1.09Å | 1.10Å | |
| CBB | H7 | sing | 1.09Å | 1.10Å | |
| CBD | H8 | sing | 1.09Å | 1.10Å | |
| CBD | H9 | sing | 1.09Å | 1.10Å | |
| CBD | H10 | sing | 1.09Å | 1.10Å | |
| CAE | H11 | sing | 1.08Å | 1.08Å | |
| CAI | H12 | sing | 1.08Å | 1.08Å | |
| CAJ | H13 | sing | 1.08Å | 1.08Å | |
| NAM | H14 | sing | 0.97Å | 1.00Å | |
| CAX | H16 | sing | 1.08Å | 1.08Å | |
| CAW | H17 | sing | 1.08Å | 1.08Å | |
| NAV | H18 | sing | 0.97Å | 1.00Å | |
| CAS | H19 | sing | 1.08Å | 1.08Å | |
| CAR | H20 | sing | 1.08Å | 1.08Å | |
| CAQ | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAV | CAW | CAX | 107.4° | 109.9° |
| CAW | NAV | CAT | 108.4° | 109.9° |
| NAV | CAW | H17 | 126.3° | 125.1° |
| CAW | NAV | H18 | 125.8° | 125.0° |
| CAW | CAX | CAU | 109.8° | 107.0° |
| CAW | CAX | H16 | 125.1° | 126.5° |
| CAX | CAW | H17 | 126.3° | 125.0° |
| NAV | CAT | CAS | 129.6° | 133.4° |
| NAV | CAT | CAU | 108.8° | 107.1° |
| CAT | NAV | H18 | 125.8° | 125.1° |
| CAX | CAU | CAT | 105.5° | 106.2° |
| CAX | CAU | CAP | 134.2° | 134.0° |
| CAU | CAX | H16 | 125.1° | 126.5° |
| CAS | CAT | CAU | 121.6° | 119.5° |
| CAT | CAS | CAR | 121.3° | 120.3° |
| CAT | CAS | H19 | 119.4° | 119.9° |
| CAT | CAU | CAP | 120.3° | 119.8° |
| CAS | CAR | CAQ | 117.8° | 120.8° |
| CAR | CAS | H19 | 119.3° | 119.8° |
| CAS | CAR | H20 | 121.1° | 119.6° |
| CAU | CAP | CAQ | 119.2° | 119.3° |
| CAU | CAP | CAN | 123.4° | 120.4° |
| CAR | CAQ | CAP | 119.8° | 120.2° |
| CAQ | CAR | H20 | 121.1° | 119.5° |
| CAR | CAQ | H21 | 120.1° | 119.9° |
| CAQ | CAP | CAN | 117.4° | 120.3° |
| CAP | CAQ | H21 | 120.1° | 119.8° |
| CAP | CAN | NAM | 127.1° | 125.2° |
| CAP | CAN | NAO | 124.3° | 125.2° |
| CAN | NAM | CAK | 107.5° | 107.1° |
| NAM | CAN | NAO | 108.5° | 109.6° |
| CAN | NAM | H14 | 126.2° | 126.4° |
| NAM | CAK | CAJ | 129.9° | 135.0° |
| NAM | CAK | CAL | 108.5° | 106.3° |
| CAK | NAM | H14 | 126.2° | 126.5° |
| CAN | NAO | CAL | 108.5° | 109.7° |
| CAJ | CAK | CAL | 121.6° | 118.7° |
| CAK | CAJ | CAI | 119.5° | 119.0° |
| CAK | CAJ | H13 | 120.2° | 120.5° |
| CAK | CAL | NAO | 107.0° | 107.3° |
| CAK | CAL | CAG | 120.8° | 118.5° |
| CAJ | CAI | NAH | 117.6° | 121.4° |
| CAJ | CAI | H12 | 121.2° | 119.3° |
| CAI | CAJ | H13 | 120.3° | 120.5° |
| NAO | CAL | CAG | 132.2° | 134.2° |
| CAL | CAG | NAH | 119.1° | 120.0° |
| CAL | CAG | CAF | 124.1° | 120.0° |
| CAI | NAH | CAG | 121.3° | 122.3° |
| NAH | CAI | H12 | 121.2° | 119.3° |
| NAH | CAG | CAF | 116.8° | 120.0° |
| CAG | CAF | CAA | 122.8° | 120.0° |
| CAG | CAF | CAE | 118.5° | 120.0° |
| CAF | CAA | CAB | 120.2° | 119.9° |
| CAA | CAF | CAE | 118.7° | 119.9° |
| CAF | CAA | H4 | 119.9° | 120.0° |
| CAA | CAB | OAY | 122.8° | 119.9° |
| CAA | CAB | CAC | 120.0° | 120.1° |
| CAB | CAA | H4 | 119.9° | 120.1° |
| CAZ | OAY | CAB | 112.9° | 117.0° |
| OAY | CAZ | H1 | 109.5° | 109.4° |
| OAY | CAZ | H2 | 109.5° | 109.4° |
| OAY | CAZ | H3 | 109.5° | 109.5° |
| CAF | CAE | CAD | 121.1° | 119.9° |
| CAF | CAE | H11 | 119.4° | 120.0° |
| OAY | CAB | CAC | 117.1° | 120.0° |
| CAB | CAC | CAD | 121.0° | 120.0° |
| CAB | CAC | OBA | 119.3° | 120.0° |
| CAE | CAD | CAC | 118.9° | 120.1° |
| CAE | CAD | OBC | 124.6° | 119.9° |
| CAD | CAE | H11 | 119.5° | 120.1° |
| CAD | CAC | OBA | 119.6° | 120.0° |
| CAC | CAD | OBC | 116.5° | 120.0° |
| CAC | OBA | CBB | 109.7° | 117.0° |
| CAD | OBC | CBD | 118.2° | 117.0° |
| OBA | CBB | H5 | 109.5° | 109.5° |
| OBA | CBB | H6 | 109.5° | 109.5° |
| OBA | CBB | H7 | 109.5° | 109.5° |
| OBC | CBD | H8 | 109.5° | 109.5° |
| OBC | CBD | H9 | 109.5° | 109.4° |
| OBC | CBD | H10 | 109.5° | 109.5° |
| H1 | CAZ | H2 | 109.4° | 109.5° |
| H1 | CAZ | H3 | 109.5° | 109.5° |
| H2 | CAZ | H3 | 109.5° | 109.5° |
| H5 | CBB | H6 | 109.5° | 109.5° |
| H5 | CBB | H7 | 109.5° | 109.4° |
| H6 | CBB | H7 | 109.4° | 109.4° |
| H8 | CBD | H9 | 109.4° | 109.5° |
| H8 | CBD | H10 | 109.5° | 109.5° |
| H9 | CBD | H10 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAV | CAW | CAX | H17 | 180.0° | 180.0° |
| CAW | NAV | CAT | H18 | 180.0° | 180.0° |
| NAV | CAW | CAX | CAU | 0.1° | 0.0° |
| CAW | NAV | CAT | CAS | 180.0° | 180.0° |
| CAW | NAV | CAT | CAU | 0.2° | 0.0° |
| NAV | CAW | CAX | H16 | 179.9° | 180.0° |
| CAX | CAW | NAV | CAT | 0.2° | 0.0° |
| CAW | CAX | CAU | H16 | 180.0° | 180.0° |
| CAW | CAX | CAU | CAT | 0.0° | 0.0° |
| CAW | CAX | CAU | CAP | 179.9° | 180.0° |
| CAX | CAW | NAV | H18 | 179.8° | 180.0° |
| NAV | CAT | CAU | CAX | 0.1° | 0.0° |
| NAV | CAT | CAS | CAU | 179.9° | 180.0° |
| NAV | CAT | CAS | CAR | 179.8° | 179.9° |
| NAV | CAT | CAU | CAP | 179.9° | 180.0° |
| CAT | NAV | CAW | H17 | 179.9° | 180.0° |
| NAV | CAT | CAS | H19 | 0.2° | 0.0° |
| CAX | CAU | CAT | CAS | 180.0° | 180.0° |
| CAX | CAU | CAT | CAP | 180.0° | 180.0° |
| CAX | CAU | CAP | CAQ | 179.9° | 179.9° |
| CAX | CAU | CAP | CAN | 0.2° | 0.3° |
| CAU | CAX | CAW | H17 | 179.9° | 180.0° |
| CAT | CAS | CAR | H19 | 180.0° | 180.0° |
| CAS | CAT | CAU | CAP | 0.1° | 0.0° |
| CAT | CAS | CAR | CAQ | 0.1° | 0.0° |
| CAS | CAT | NAV | H18 | 0.0° | 0.0° |
| CAT | CAS | CAR | H20 | 179.9° | 180.0° |
| CAU | CAT | CAS | CAR | 0.1° | 0.0° |
| CAT | CAU | CAP | CAQ | 0.1° | 0.0° |
| CAT | CAU | CAP | CAN | 179.9° | 179.7° |
| CAT | CAU | CAX | H16 | 180.0° | 180.0° |
| CAU | CAT | NAV | H18 | 179.8° | 180.0° |
| CAU | CAT | CAS | H19 | 179.9° | 180.0° |
| CAS | CAR | CAQ | H20 | 180.0° | 180.0° |
| CAS | CAR | CAQ | CAP | 0.0° | 0.0° |
| CAS | CAR | CAQ | H21 | 180.0° | 179.7° |
| CAU | CAP | CAQ | CAR | 0.1° | 0.0° |
| CAU | CAP | CAQ | CAN | 179.7° | 179.8° |
| CAU | CAP | CAN | NAM | 33.8° | 179.7° |
| CAU | CAP | CAN | NAO | 147.9° | 0.5° |
| CAP | CAU | CAX | H16 | 0.1° | 0.0° |
| CAU | CAP | CAQ | H21 | 179.9° | 179.7° |
| CAR | CAQ | CAP | H21 | 180.0° | 179.7° |
| CAR | CAQ | CAP | CAN | 179.9° | 179.7° |
| CAQ | CAR | CAS | H19 | 179.9° | 180.0° |
| CAQ | CAP | CAN | NAM | 145.9° | 0.0° |
| CAQ | CAP | CAN | NAO | 32.4° | 179.8° |
| CAP | CAQ | CAR | H20 | 180.0° | 180.0° |
| CAP | CAN | NAM | NAO | 178.5° | 179.8° |
| CAP | CAN | NAM | CAK | 179.5° | 180.0° |
| CAP | CAN | NAO | CAL | 179.3° | 179.9° |
| CAP | CAN | NAM | H14 | 0.5° | 0.0° |
| CAN | CAP | CAQ | H21 | 0.1° | 0.1° |
| CAN | NAM | CAK | H14 | 180.0° | 180.0° |
| CAN | NAM | CAK | CAJ | 179.7° | 180.0° |
| CAN | NAM | CAK | CAL | 0.9° | 0.2° |
| NAM | CAN | NAO | CAL | 0.7° | 0.0° |
| CAK | NAM | CAN | NAO | 1.0° | 0.2° |
| NAM | CAK | CAJ | CAL | 179.4° | 179.8° |
| NAM | CAK | CAJ | CAI | 179.7° | 180.0° |
| NAM | CAK | CAL | NAO | 0.4° | 0.2° |
| NAM | CAK | CAL | CAG | 179.8° | 179.6° |
| NAM | CAK | CAJ | H13 | 0.3° | 0.0° |
| CAN | NAO | CAL | CAK | 0.2° | 0.1° |
| CAN | NAO | CAL | CAG | 179.1° | 179.4° |
| NAO | CAN | NAM | H14 | 179.0° | 179.8° |
| CAK | CAJ | CAI | H13 | 180.0° | 180.0° |
| CAJ | CAK | CAL | NAO | 180.0° | 179.9° |
| CAJ | CAK | CAL | CAG | 0.7° | 0.5° |
| CAK | CAJ | CAI | NAH | 0.3° | 0.0° |
| CAK | CAJ | CAI | H12 | 179.7° | 179.9° |
| CAJ | CAK | NAM | H14 | 0.3° | 0.0° |
| CAL | CAK | CAJ | CAI | 0.3° | 0.2° |
| CAK | CAL | NAO | CAG | 179.3° | 179.3° |
| CAK | CAL | CAG | NAH | 0.4° | 0.6° |
| CAK | CAL | CAG | CAF | 179.9° | 179.8° |
| CAL | CAK | CAJ | H13 | 179.7° | 179.8° |
| CAL | CAK | NAM | H14 | 179.1° | 179.8° |
| CAJ | CAI | NAH | H12 | 180.0° | 179.9° |
| CAJ | CAI | NAH | CAG | 0.6° | 0.0° |
| NAO | CAL | CAG | NAH | 179.6° | 179.8° |
| NAO | CAL | CAG | CAF | 0.7° | 0.5° |
| CAL | CAG | NAH | CAI | 0.2° | 0.3° |
| CAL | CAG | NAH | CAF | 179.7° | 179.7° |
| CAL | CAG | CAF | CAA | 33.0° | 144.7° |
| CAL | CAG | CAF | CAE | 147.5° | 35.3° |
| CAI | NAH | CAG | CAF | 179.5° | 180.0° |
| NAH | CAI | CAJ | H13 | 179.7° | 180.0° |
| NAH | CAG | CAF | CAA | 147.3° | 35.0° |
| NAH | CAG | CAF | CAE | 32.2° | 145.0° |
| CAG | NAH | CAI | H12 | 179.4° | 180.0° |
| CAG | CAF | CAA | CAE | 179.5° | 180.0° |
| CAG | CAF | CAA | CAB | 179.6° | 180.0° |
| CAG | CAF | CAE | CAD | 180.0° | 179.7° |
| CAG | CAF | CAA | H4 | 0.3° | 0.0° |
| CAG | CAF | CAE | H11 | 0.0° | 0.0° |
| CAF | CAA | CAB | H4 | 180.0° | 180.0° |
| CAF | CAA | CAB | OAY | 179.9° | 180.0° |
| CAF | CAA | CAB | CAC | 0.2° | 0.2° |
| CAA | CAF | CAE | CAD | 0.4° | 0.3° |
| CAA | CAF | CAE | H11 | 179.6° | 180.0° |
| CAA | CAB | OAY | CAZ | 58.9° | 0.3° |
| CAB | CAA | CAF | CAE | 0.1° | 0.0° |
| CAA | CAB | OAY | CAC | 179.9° | 179.8° |
| CAA | CAB | CAC | CAD | 0.7° | 0.2° |
| CAA | CAB | CAC | OBA | 179.6° | 179.7° |
| CAZ | OAY | CAB | CAC | 121.0° | 179.9° |
| OAY | CAZ | H1 | H2 | 120.0° | 119.9° |
| OAY | CAZ | H1 | H3 | 120.0° | 120.1° |
| OAY | CAZ | H2 | H3 | 120.0° | 120.0° |
| CAF | CAE | CAD | H11 | 180.0° | 179.7° |
| CAF | CAE | CAD | CAC | 0.8° | 0.3° |
| CAF | CAE | CAD | OBC | 179.5° | 179.7° |
| CAE | CAF | CAA | H4 | 179.9° | 180.0° |
| OAY | CAB | CAC | CAD | 179.4° | 180.0° |
| OAY | CAB | CAC | OBA | 0.5° | 0.0° |
| CAB | OAY | CAZ | H1 | 180.0° | 180.0° |
| CAB | OAY | CAZ | H2 | 60.0° | 60.1° |
| CAB | OAY | CAZ | H3 | 60.0° | 60.0° |
| OAY | CAB | CAA | H4 | 0.2° | 0.0° |
| CAB | CAC | CAD | CAE | 1.0° | 0.0° |
| CAB | CAC | CAD | OBA | 179.0° | 180.0° |
| CAB | CAC | CAD | OBC | 179.7° | 179.9° |
| CAB | CAC | OBA | CBB | 94.5° | 90.0° |
| CAC | CAB | CAA | H4 | 179.7° | 179.8° |
| CAE | CAD | CAC | OBC | 178.7° | 180.0° |
| CAE | CAD | CAC | OBA | 179.9° | 180.0° |
| CAE | CAD | OBC | CBD | 44.2° | 0.0° |
| CAD | CAC | OBA | CBB | 84.4° | 90.0° |
| CAC | CAD | OBC | CBD | 137.1° | 180.0° |
| CAC | CAD | CAE | H11 | 179.2° | 180.0° |
| OBA | CAC | CAD | OBC | 1.4° | 0.0° |
| CAC | OBA | CBB | H5 | 180.0° | 60.0° |
| CAC | OBA | CBB | H6 | 60.0° | 60.0° |
| CAC | OBA | CBB | H7 | 60.0° | 180.0° |
| CAD | OBC | CBD | H8 | 180.0° | 180.0° |
| CAD | OBC | CBD | H9 | 60.0° | 60.0° |
| CAD | OBC | CBD | H10 | 60.0° | 60.0° |
| OBC | CAD | CAE | H11 | 0.6° | 0.0° |
| OBA | CBB | H5 | H6 | 120.0° | 120.1° |
| OBA | CBB | H5 | H7 | 120.0° | 120.0° |
| OBA | CBB | H6 | H7 | 120.0° | 120.0° |
| OBC | CBD | H8 | H9 | 120.0° | 120.0° |
| OBC | CBD | H8 | H10 | 120.0° | 120.0° |
| OBC | CBD | H9 | H10 | 120.0° | 120.0° |
| H1 | CAZ | H2 | H3 | 120.0° | 120.1° |
| H5 | CBB | H6 | H7 | 120.0° | 119.9° |
| H8 | CBD | H9 | H10 | 120.0° | 120.0° |
| H12 | CAI | CAJ | H13 | 0.3° | 0.1° |
| H16 | CAX | CAW | H17 | 0.1° | 0.0° |
| H17 | CAW | NAV | H18 | 0.1° | 0.0° |
| H19 | CAS | CAR | H20 | 0.1° | 0.0° |
| H20 | CAR | CAQ | H21 | 0.0° | 0.3° |
