7W9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CBA | CBB | doub | 1.36Å | 1.39Å | Aromatic |
| CBA | CAY | sing | 1.41Å | 1.40Å | Aromatic |
| CBB | CBC | sing | 1.39Å | 1.40Å | Aromatic |
| CAX | CAY | doub | 1.40Å | 1.38Å | Aromatic |
| CAX | CAW | sing | 1.36Å | 1.38Å | Aromatic |
| CAY | CAZ | sing | 1.42Å | 1.43Å | Aromatic |
| CBC | CBD | doub | 1.36Å | 1.41Å | Aromatic |
| CAW | CAV | doub | 1.39Å | 1.39Å | Aromatic |
| CAC | CAB | doub | 1.39Å | 1.38Å | Aromatic |
| CAC | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAZ | CBD | sing | 1.40Å | 1.41Å | Aromatic |
| CAZ | CAU | doub | 1.41Å | 1.44Å | Aromatic |
| CAB | CAA | sing | 1.38Å | 1.41Å | Aromatic |
| OAM | CAL | doub | 1.21Å | 1.25Å | |
| CAD | CAE | doub | 1.39Å | 1.35Å | Aromatic |
| CAV | CAU | sing | 1.36Å | 1.40Å | Aromatic |
| CAK | CAL | sing | 1.51Å | 1.55Å | |
| CAK | OAJ | sing | 1.43Å | 1.45Å | |
| CAU | CAT | sing | 1.51Å | 1.46Å | |
| CAL | OAN | sing | 1.34Å | 1.25Å | |
| CAA | OAJ | sing | 1.36Å | 1.38Å | |
| CAA | CAF | doub | 1.39Å | 1.37Å | Aromatic |
| CAE | CAF | sing | 1.40Å | 1.36Å | Aromatic |
| CAE | NAG | sing | 1.38Å | 1.34Å | Aromatic |
| CAF | CAI | sing | 1.48Å | 1.36Å | Aromatic |
| CAT | NAG | sing | 1.46Å | 1.53Å | |
| NAG | CAH | sing | 1.35Å | 1.34Å | Aromatic |
| CAI | CAH | doub | 1.38Å | 1.33Å | Aromatic |
| CAI | CAO | sing | 1.46Å | 1.36Å | |
| CAH | CBE | sing | 1.51Å | 1.54Å | |
| CAO | OAQ | doub | 1.21Å | 1.23Å | |
| CAO | CAP | sing | 1.49Å | 1.54Å | |
| CAP | OAS | doub | 1.21Å | 1.23Å | |
| CAP | NAR | sing | 1.35Å | 1.32Å | |
| OAN | H1 | sing | 0.97Å | 0.95Å | |
| CAK | H2 | sing | 1.09Å | 1.10Å | |
| CAK | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.08Å | 1.08Å | |
| CAC | H5 | sing | 1.08Å | 1.08Å | |
| CAD | H6 | sing | 1.08Å | 1.08Å | |
| NAR | H7 | sing | 0.97Å | 1.00Å | |
| NAR | H8 | sing | 0.97Å | 1.00Å | |
| CBE | H9 | sing | 1.09Å | 1.10Å | |
| CBE | H10 | sing | 1.09Å | 1.10Å | |
| CBE | H11 | sing | 1.09Å | 1.10Å | |
| CAT | H12 | sing | 1.09Å | 1.10Å | |
| CAT | H13 | sing | 1.09Å | 1.10Å | |
| CBD | H14 | sing | 1.08Å | 1.08Å | |
| CBC | H15 | sing | 1.08Å | 1.08Å | |
| CBB | H16 | sing | 1.08Å | 1.08Å | |
| CBA | H17 | sing | 1.08Å | 1.08Å | |
| CAX | H18 | sing | 1.08Å | 1.08Å | |
| CAW | H19 | sing | 1.08Å | 1.08Å | |
| CAV | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CBB | CBA | CAY | 120.1° | 119.7° |
| CBA | CBB | CBC | 118.8° | 120.9° |
| CBA | CBB | H16 | 120.6° | 119.5° |
| CBB | CBA | H17 | 120.0° | 120.2° |
| CBA | CAY | CAX | 116.6° | 121.3° |
| CBA | CAY | CAZ | 122.8° | 119.3° |
| CAY | CBA | H17 | 119.9° | 120.1° |
| CBB | CBC | CBD | 121.0° | 121.0° |
| CBB | CBC | H15 | 119.5° | 119.5° |
| CBC | CBB | H16 | 120.6° | 119.5° |
| CAY | CAX | CAW | 119.5° | 119.7° |
| CAX | CAY | CAZ | 120.6° | 119.4° |
| CAY | CAX | H18 | 120.3° | 120.2° |
| CAX | CAW | CAV | 121.1° | 121.0° |
| CAW | CAX | H18 | 120.3° | 120.2° |
| CAX | CAW | H19 | 119.4° | 119.5° |
| CAY | CAZ | CBD | 115.3° | 119.4° |
| CAY | CAZ | CAU | 120.3° | 119.3° |
| CBC | CBD | CAZ | 122.1° | 119.7° |
| CBC | CBD | H14 | 119.0° | 120.2° |
| CBD | CBC | H15 | 119.6° | 119.5° |
| CAW | CAV | CAU | 122.2° | 121.0° |
| CAV | CAW | H19 | 119.4° | 119.5° |
| CAW | CAV | H20 | 118.9° | 119.5° |
| CAB | CAC | CAD | 118.1° | 120.7° |
| CAC | CAB | CAA | 119.1° | 120.2° |
| CAC | CAB | H4 | 120.4° | 119.9° |
| CAB | CAC | H5 | 121.0° | 119.7° |
| CAC | CAD | CAE | 121.7° | 120.0° |
| CAD | CAC | H5 | 121.0° | 119.6° |
| CAC | CAD | H6 | 119.1° | 120.0° |
| CBD | CAZ | CAU | 124.4° | 121.3° |
| CAZ | CBD | H14 | 118.9° | 120.2° |
| CAZ | CAU | CAV | 116.3° | 119.7° |
| CAZ | CAU | CAT | 127.0° | 120.1° |
| CAB | CAA | OAJ | 121.3° | 120.2° |
| CAB | CAA | CAF | 121.1° | 119.6° |
| CAA | CAB | H4 | 120.5° | 119.9° |
| OAM | CAL | CAK | 118.1° | 120.0° |
| OAM | CAL | OAN | 124.9° | 120.0° |
| CAD | CAE | CAF | 121.4° | 119.4° |
| CAD | CAE | NAG | 128.6° | 132.9° |
| CAE | CAD | H6 | 119.1° | 120.0° |
| CAV | CAU | CAT | 116.6° | 120.2° |
| CAU | CAV | H20 | 118.9° | 119.5° |
| CAL | CAK | OAJ | 110.4° | 109.5° |
| CAK | CAL | OAN | 116.9° | 120.0° |
| CAL | CAK | H2 | 109.2° | 109.5° |
| CAL | CAK | H3 | 109.2° | 109.5° |
| CAK | OAJ | CAA | 123.3° | 117.0° |
| OAJ | CAK | H2 | 109.2° | 109.4° |
| OAJ | CAK | H3 | 109.2° | 109.5° |
| CAU | CAT | NAG | 110.7° | 109.5° |
| CAU | CAT | H12 | 109.2° | 109.5° |
| CAU | CAT | H13 | 109.2° | 109.5° |
| CAL | OAN | H1 | 109.5° | 116.9° |
| OAJ | CAA | CAF | 117.6° | 120.2° |
| CAA | CAF | CAE | 118.6° | 120.1° |
| CAA | CAF | CAI | 135.3° | 134.0° |
| CAF | CAE | NAG | 110.0° | 107.7° |
| CAE | CAF | CAI | 106.1° | 105.9° |
| CAE | NAG | CAT | 123.4° | 124.7° |
| CAE | NAG | CAH | 106.1° | 110.7° |
| CAF | CAI | CAH | 107.7° | 106.2° |
| CAF | CAI | CAO | 127.4° | 126.9° |
| CAT | NAG | CAH | 130.5° | 124.6° |
| NAG | CAT | H12 | 109.1° | 109.5° |
| NAG | CAT | H13 | 109.2° | 109.5° |
| NAG | CAH | CAI | 110.1° | 109.5° |
| NAG | CAH | CBE | 124.7° | 125.2° |
| CAH | CAI | CAO | 124.9° | 126.9° |
| CAI | CAH | CBE | 125.2° | 125.2° |
| CAI | CAO | OAQ | 123.9° | 120.0° |
| CAI | CAO | CAP | 118.5° | 120.0° |
| CAH | CBE | H9 | 109.5° | 109.5° |
| CAH | CBE | H10 | 109.5° | 109.5° |
| CAH | CBE | H11 | 109.4° | 109.5° |
| OAQ | CAO | CAP | 117.5° | 120.0° |
| CAO | CAP | OAS | 122.5° | 120.0° |
| CAO | CAP | NAR | 114.9° | 120.0° |
| OAS | CAP | NAR | 122.6° | 120.0° |
| CAP | NAR | H7 | 120.0° | 120.0° |
| CAP | NAR | H8 | 120.0° | 120.0° |
| H2 | CAK | H3 | 109.5° | 109.4° |
| H7 | NAR | H8 | 120.0° | 120.0° |
| H9 | CBE | H10 | 109.5° | 109.4° |
| H9 | CBE | H11 | 109.5° | 109.5° |
| H10 | CBE | H11 | 109.5° | 109.5° |
| H12 | CAT | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CBB | CBA | CAY | H17 | 180.0° | 180.0° |
| CBA | CBB | CBC | H16 | 180.0° | 180.0° |
| CBB | CBA | CAY | CAX | 179.7° | 180.0° |
| CBB | CBA | CAY | CAZ | 0.1° | 0.0° |
| CBA | CBB | CBC | CBD | 0.1° | 0.0° |
| CBA | CBB | CBC | H15 | 179.9° | 180.0° |
| CAY | CBA | CBB | CBC | 0.0° | 0.0° |
| CBA | CAY | CAX | CAZ | 179.8° | 180.0° |
| CBA | CAY | CAX | CAW | 179.9° | 180.0° |
| CBA | CAY | CAZ | CBD | 0.1° | 0.0° |
| CBA | CAY | CAZ | CAU | 179.4° | 180.0° |
| CAY | CBA | CBB | H16 | 180.0° | 180.0° |
| CBA | CAY | CAX | H18 | 0.1° | 0.0° |
| CBB | CBC | CBD | H15 | 180.0° | 179.9° |
| CBB | CBC | CBD | CAZ | 0.1° | 0.0° |
| CBB | CBC | CBD | H14 | 179.9° | 179.9° |
| CBC | CBB | CBA | H17 | 180.0° | 180.0° |
| CAY | CAX | CAW | H18 | 180.0° | 180.0° |
| CAY | CAX | CAW | CAV | 0.0° | 0.2° |
| CAX | CAY | CAZ | CBD | 179.7° | 180.0° |
| CAX | CAY | CAZ | CAU | 0.4° | 0.0° |
| CAX | CAY | CBA | H17 | 0.3° | 0.0° |
| CAY | CAX | CAW | H19 | 180.0° | 180.0° |
| CAW | CAX | CAY | CAZ | 0.0° | 0.0° |
| CAX | CAW | CAV | H19 | 180.0° | 179.7° |
| CAX | CAW | CAV | CAU | 0.5° | 0.6° |
| CAX | CAW | CAV | H20 | 179.5° | 180.0° |
| CAY | CAZ | CBD | CBC | 0.0° | 0.0° |
| CAY | CAZ | CBD | CAU | 179.2° | 180.0° |
| CAY | CAZ | CAU | CAV | 0.9° | 0.3° |
| CAY | CAZ | CAU | CAT | 179.3° | 180.0° |
| CAY | CAZ | CBD | H14 | 180.0° | 180.0° |
| CAZ | CAY | CBA | H17 | 179.9° | 180.0° |
| CAZ | CAY | CAX | H18 | 179.9° | 180.0° |
| CBC | CBD | CAZ | H14 | 180.0° | 180.0° |
| CBC | CBD | CAZ | CAU | 179.2° | 180.0° |
| CBD | CBC | CBB | H16 | 179.9° | 179.9° |
| CAW | CAV | CAU | CAZ | 1.0° | 0.6° |
| CAW | CAV | CAU | H20 | 180.0° | 179.5° |
| CAW | CAV | CAU | CAT | 179.5° | 179.7° |
| CAV | CAW | CAX | H18 | 180.0° | 179.7° |
| CAB | CAC | CAD | H5 | 180.0° | 180.0° |
| CAC | CAB | CAA | H4 | 180.0° | 180.0° |
| CAB | CAC | CAD | CAE | 0.5° | 0.0° |
| CAC | CAB | CAA | OAJ | 179.9° | 180.0° |
| CAC | CAB | CAA | CAF | 0.4° | 0.2° |
| CAB | CAC | CAD | H6 | 179.6° | 180.0° |
| CAD | CAC | CAB | CAA | 0.6° | 0.0° |
| CAC | CAD | CAE | H6 | 180.0° | 180.0° |
| CAC | CAD | CAE | CAF | 0.1° | 0.2° |
| CAC | CAD | CAE | NAG | 179.3° | 180.0° |
| CAD | CAC | CAB | H4 | 179.4° | 180.0° |
| CBD | CAZ | CAU | CAV | 179.9° | 179.7° |
| CBD | CAZ | CAU | CAT | 1.6° | 0.0° |
| CAZ | CBD | CBC | H15 | 179.9° | 180.0° |
| CAZ | CAU | CAV | CAT | 178.6° | 179.7° |
| CAZ | CAU | CAT | NAG | 134.2° | 174.2° |
| CAZ | CAU | CAT | H12 | 14.0° | 65.8° |
| CAZ | CAU | CAT | H13 | 105.6° | 54.2° |
| CAU | CAZ | CBD | H14 | 0.8° | 0.1° |
| CAZ | CAU | CAV | H20 | 179.1° | 180.0° |
| CAB | CAA | OAJ | CAK | 19.0° | 0.3° |
| CAB | CAA | OAJ | CAF | 179.4° | 179.7° |
| CAB | CAA | CAF | CAE | 0.0° | 0.5° |
| CAB | CAA | CAF | CAI | 179.1° | 179.8° |
| CAA | CAB | CAC | H5 | 179.4° | 180.0° |
| OAM | CAL | CAK | OAN | 177.9° | 179.7° |
| OAM | CAL | CAK | OAJ | 147.6° | 0.0° |
| OAM | CAL | OAN | H1 | 0.0° | 0.0° |
| OAM | CAL | CAK | H2 | 27.4° | 120.0° |
| OAM | CAL | CAK | H3 | 92.3° | 120.0° |
| CAD | CAE | CAF | CAA | 0.2° | 0.5° |
| CAD | CAE | CAF | NAG | 179.5° | 179.8° |
| CAD | CAE | CAF | CAI | 179.5° | 179.7° |
| CAD | CAE | NAG | CAT | 0.3° | 0.0° |
| CAD | CAE | NAG | CAH | 179.7° | 179.4° |
| CAE | CAD | CAC | H5 | 179.5° | 180.0° |
| CAV | CAU | CAT | NAG | 47.4° | 5.5° |
| CAV | CAU | CAT | H12 | 167.6° | 114.5° |
| CAV | CAU | CAT | H13 | 72.7° | 125.5° |
| CAU | CAV | CAW | H19 | 179.4° | 179.7° |
| CAL | CAK | OAJ | H2 | 120.1° | 120.0° |
| CAL | CAK | OAJ | H3 | 120.1° | 120.0° |
| CAL | CAK | OAJ | CAA | 94.1° | 180.0° |
| CAK | CAL | OAN | H1 | 177.8° | 179.7° |
| CAL | CAK | H2 | H3 | 119.6° | 120.0° |
| OAJ | CAK | CAL | OAN | 34.5° | 179.8° |
| CAK | OAJ | CAA | CAF | 161.6° | 180.0° |
| OAJ | CAK | H2 | H3 | 119.6° | 120.0° |
| CAU | CAT | NAG | CAE | 76.1° | 85.3° |
| CAU | CAT | NAG | H12 | 120.2° | 120.0° |
| CAU | CAT | NAG | H13 | 120.2° | 120.0° |
| CAU | CAT | NAG | CAH | 104.7° | 94.0° |
| CAU | CAT | H12 | H13 | 119.5° | 120.0° |
| CAT | CAU | CAV | H20 | 0.5° | 0.2° |
| OAN | CAL | CAK | H2 | 154.6° | 60.3° |
| OAN | CAL | CAK | H3 | 85.6° | 59.7° |
| OAJ | CAA | CAF | CAE | 179.5° | 179.8° |
| OAJ | CAA | CAF | CAI | 0.3° | 0.0° |
| CAA | OAJ | CAK | H2 | 26.0° | 60.0° |
| CAA | OAJ | CAK | H3 | 145.8° | 60.0° |
| OAJ | CAA | CAB | H4 | 0.2° | 0.0° |
| CAA | CAF | CAE | CAI | 179.4° | 179.8° |
| CAA | CAF | CAE | NAG | 179.6° | 179.7° |
| CAA | CAF | CAI | CAH | 179.9° | 180.0° |
| CAA | CAF | CAI | CAO | 0.2° | 0.0° |
| CAF | CAA | CAB | H4 | 179.6° | 179.8° |
| CAF | CAE | NAG | CAT | 179.7° | 179.8° |
| CAF | CAE | NAG | CAH | 0.9° | 0.4° |
| CAE | CAF | CAI | CAH | 0.7° | 0.2° |
| CAE | CAF | CAI | CAO | 179.4° | 179.8° |
| CAF | CAE | CAD | H6 | 180.0° | 179.8° |
| NAG | CAE | CAF | CAI | 1.0° | 0.1° |
| CAE | NAG | CAT | CAH | 179.3° | 179.3° |
| CAE | NAG | CAH | CAI | 0.5° | 0.6° |
| CAE | NAG | CAH | CBE | 179.8° | 179.9° |
| NAG | CAE | CAD | H6 | 0.7° | 0.0° |
| CAE | NAG | CAT | H12 | 44.1° | 154.7° |
| CAE | NAG | CAT | H13 | 163.7° | 34.7° |
| CAF | CAI | CAH | NAG | 0.1° | 0.5° |
| CAF | CAI | CAH | CAO | 179.9° | 180.0° |
| CAF | CAI | CAH | CBE | 179.6° | 180.0° |
| CAF | CAI | CAO | OAQ | 124.4° | 94.8° |
| CAF | CAI | CAO | CAP | 56.6° | 85.3° |
| CAT | NAG | CAH | CAI | 179.8° | 179.9° |
| CAT | NAG | CAH | CBE | 0.4° | 0.6° |
| NAG | CAT | H12 | H13 | 119.4° | 120.0° |
| NAG | CAH | CAI | CBE | 179.7° | 179.5° |
| NAG | CAH | CAI | CAO | 180.0° | 179.5° |
| NAG | CAH | CBE | H9 | 89.8° | 84.3° |
| NAG | CAH | CBE | H10 | 150.2° | 35.6° |
| NAG | CAH | CBE | H11 | 30.1° | 155.6° |
| CAH | NAG | CAT | H12 | 135.2° | 26.0° |
| CAH | NAG | CAT | H13 | 15.5° | 146.0° |
| CAH | CAI | CAO | OAQ | 55.5° | 85.3° |
| CAH | CAI | CAO | CAP | 123.5° | 94.7° |
| CAI | CAH | CBE | H9 | 89.9° | 95.1° |
| CAI | CAH | CBE | H10 | 30.1° | 145.0° |
| CAI | CAH | CBE | H11 | 150.2° | 25.0° |
| CAO | CAI | CAH | CBE | 0.3° | 0.0° |
| CAI | CAO | OAQ | CAP | 179.0° | 180.0° |
| CAI | CAO | CAP | OAS | 0.2° | 5.1° |
| CAI | CAO | CAP | NAR | 176.3° | 174.8° |
| CAH | CBE | H9 | H10 | 120.0° | 120.0° |
| CAH | CBE | H9 | H11 | 120.0° | 120.0° |
| CAH | CBE | H10 | H11 | 120.0° | 120.0° |
| OAQ | CAO | CAP | OAS | 178.9° | 174.8° |
| OAQ | CAO | CAP | NAR | 4.6° | 5.3° |
| CAO | CAP | OAS | NAR | 176.2° | 179.9° |
| CAO | CAP | NAR | H7 | 176.5° | 0.0° |
| CAO | CAP | NAR | H8 | 3.5° | 180.0° |
| OAS | CAP | NAR | H7 | 0.0° | 179.9° |
| OAS | CAP | NAR | H8 | 180.0° | 0.0° |
| CAP | NAR | H7 | H8 | 180.0° | 180.0° |
| H4 | CAB | CAC | H5 | 0.6° | 0.0° |
| H5 | CAC | CAD | H6 | 0.4° | 0.0° |
| H9 | CBE | H10 | H11 | 120.0° | 120.0° |
| H14 | CBD | CBC | H15 | 0.1° | 0.0° |
| H15 | CBC | CBB | H16 | 0.1° | 0.0° |
| H16 | CBB | CBA | H17 | 0.0° | 0.0° |
| H18 | CAX | CAW | H19 | 0.0° | 0.0° |
| H19 | CAW | CAV | H20 | 0.5° | 0.2° |
