7W0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAY | CAZ | doub | 1.38Å | 1.38Å | Aromatic |
| CAY | CAX | sing | 1.38Å | 1.38Å | Aromatic |
| CAZ | CBA | sing | 1.39Å | 1.40Å | Aromatic |
| CAX | CAW | doub | 1.38Å | 1.39Å | Aromatic |
| CBC | CBD | doub | 1.38Å | 1.40Å | Aromatic |
| CBC | CBB | sing | 1.39Å | 1.40Å | Aromatic |
| CBD | CBE | sing | 1.38Å | 1.40Å | Aromatic |
| CAC | CAB | doub | 1.39Å | 1.38Å | Aromatic |
| CAC | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CBA | CBB | sing | 1.48Å | 1.40Å | |
| CBA | CAV | doub | 1.39Å | 1.44Å | Aromatic |
| CBB | CBG | doub | 1.39Å | 1.40Å | Aromatic |
| CBE | CBF | doub | 1.38Å | 1.40Å | Aromatic |
| CAB | CAA | sing | 1.38Å | 1.41Å | Aromatic |
| CAW | CAV | sing | 1.38Å | 1.41Å | Aromatic |
| CAD | CAE | doub | 1.39Å | 1.35Å | Aromatic |
| OAP | CAN | doub | 1.21Å | 1.27Å | |
| CBG | CBF | sing | 1.38Å | 1.40Å | Aromatic |
| CAM | CAN | sing | 1.51Å | 1.55Å | |
| CAM | OAK | sing | 1.43Å | 1.45Å | |
| CAV | CAU | sing | 1.51Å | 1.45Å | |
| CAN | OAO | sing | 1.34Å | 1.26Å | |
| CAA | OAK | sing | 1.36Å | 1.38Å | |
| CAA | CAF | doub | 1.40Å | 1.37Å | Aromatic |
| CAE | CAF | sing | 1.40Å | 1.36Å | Aromatic |
| CAE | NAG | sing | 1.38Å | 1.35Å | Aromatic |
| CAF | CAI | sing | 1.48Å | 1.37Å | Aromatic |
| CAU | NAG | sing | 1.47Å | 1.53Å | |
| NAG | CAH | sing | 1.35Å | 1.35Å | Aromatic |
| CAI | CAH | doub | 1.38Å | 1.33Å | Aromatic |
| CAI | CAL | sing | 1.46Å | 1.36Å | |
| CAH | CAJ | sing | 1.51Å | 1.54Å | |
| CAL | OAS | doub | 1.22Å | 1.24Å | |
| CAL | CAQ | sing | 1.49Å | 1.54Å | |
| OAT | CAQ | doub | 1.21Å | 1.23Å | |
| CAQ | NAR | sing | 1.35Å | 1.32Å | |
| OAO | H1 | sing | 0.97Å | 0.95Å | |
| CAM | H2 | sing | 1.09Å | 1.10Å | |
| CAM | 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 | |
| CAJ | H9 | sing | 1.09Å | 1.10Å | |
| CAJ | H10 | sing | 1.09Å | 1.10Å | |
| CAJ | H11 | sing | 1.09Å | 1.10Å | |
| CAU | H12 | sing | 1.09Å | 1.10Å | |
| CAU | H13 | sing | 1.09Å | 1.10Å | |
| CAW | H14 | sing | 1.08Å | 1.08Å | |
| CAX | H15 | sing | 1.08Å | 1.08Å | |
| CAY | H16 | sing | 1.08Å | 1.08Å | |
| CAZ | H17 | sing | 1.08Å | 1.08Å | |
| CBC | H18 | sing | 1.08Å | 1.08Å | |
| CBD | H19 | sing | 1.08Å | 1.08Å | |
| CBE | H20 | sing | 1.08Å | 1.08Å | |
| CBF | H21 | sing | 1.08Å | 1.08Å | |
| CBG | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAZ | CAY | CAX | 119.6° | 120.1° |
| CAY | CAZ | CBA | 121.5° | 119.8° |
| CAZ | CAY | H16 | 120.2° | 119.9° |
| CAY | CAZ | H17 | 119.3° | 120.1° |
| CAY | CAX | CAW | 120.3° | 120.2° |
| CAY | CAX | H15 | 119.8° | 119.9° |
| CAX | CAY | H16 | 120.2° | 120.0° |
| CAZ | CBA | CBB | 112.3° | 120.1° |
| CAZ | CBA | CAV | 119.9° | 119.8° |
| CBA | CAZ | H17 | 119.3° | 120.0° |
| CAX | CAW | CAV | 122.2° | 120.1° |
| CAX | CAW | H14 | 118.9° | 119.9° |
| CAW | CAX | H15 | 119.9° | 119.9° |
| CBD | CBC | CBB | 120.6° | 119.9° |
| CBC | CBD | CBE | 120.1° | 120.1° |
| CBD | CBC | H18 | 119.7° | 120.0° |
| CBC | CBD | H19 | 119.9° | 120.0° |
| CBC | CBB | CBA | 120.1° | 120.2° |
| CBC | CBB | CBG | 119.2° | 119.7° |
| CBB | CBC | H18 | 119.7° | 120.0° |
| CBD | CBE | CBF | 119.6° | 120.3° |
| CBE | CBD | H19 | 119.9° | 119.9° |
| CBD | CBE | H20 | 120.2° | 119.8° |
| CAB | CAC | CAD | 117.4° | 120.7° |
| CAC | CAB | CAA | 119.1° | 120.2° |
| CAC | CAB | H4 | 120.4° | 119.9° |
| CAB | CAC | H5 | 121.3° | 119.7° |
| CAC | CAD | CAE | 122.3° | 120.1° |
| CAD | CAC | H5 | 121.3° | 119.6° |
| CAC | CAD | H6 | 118.8° | 120.0° |
| CBB | CBA | CAV | 127.8° | 120.1° |
| CBA | CBB | CBG | 120.5° | 120.1° |
| CBA | CAV | CAW | 116.6° | 119.9° |
| CBA | CAV | CAU | 124.5° | 120.1° |
| CBB | CBG | CBF | 120.2° | 119.9° |
| CBB | CBG | H22 | 119.9° | 120.0° |
| CBE | CBF | CBG | 120.3° | 120.1° |
| CBF | CBE | H20 | 120.2° | 119.9° |
| CBE | CBF | H21 | 119.9° | 119.9° |
| CAB | CAA | OAK | 119.9° | 120.2° |
| CAB | CAA | CAF | 121.5° | 119.6° |
| CAA | CAB | H4 | 120.4° | 119.9° |
| CAW | CAV | CAU | 118.9° | 120.1° |
| CAV | CAW | H14 | 118.9° | 119.9° |
| CAD | CAE | CAF | 121.2° | 119.3° |
| CAD | CAE | NAG | 129.0° | 133.0° |
| CAE | CAD | H6 | 118.8° | 119.9° |
| OAP | CAN | CAM | 116.4° | 120.0° |
| OAP | CAN | OAO | 126.4° | 120.0° |
| CBG | CBF | H21 | 119.8° | 120.0° |
| CBF | CBG | H22 | 119.9° | 120.1° |
| CAN | CAM | OAK | 111.3° | 109.5° |
| CAM | CAN | OAO | 117.2° | 120.0° |
| CAN | CAM | H2 | 109.0° | 109.5° |
| CAN | CAM | H3 | 109.0° | 109.4° |
| CAM | OAK | CAA | 122.0° | 117.0° |
| OAK | CAM | H2 | 109.0° | 109.5° |
| OAK | CAM | H3 | 109.0° | 109.5° |
| CAV | CAU | NAG | 112.2° | 109.5° |
| CAV | CAU | H12 | 108.8° | 109.5° |
| CAV | CAU | H13 | 108.8° | 109.5° |
| CAN | OAO | H1 | 109.5° | 117.0° |
| OAK | CAA | CAF | 118.5° | 120.2° |
| CAA | CAF | CAE | 118.3° | 120.1° |
| CAA | CAF | CAI | 135.9° | 134.0° |
| CAF | CAE | NAG | 109.8° | 107.7° |
| CAE | CAF | CAI | 105.8° | 105.9° |
| CAE | NAG | CAU | 124.6° | 124.6° |
| CAE | NAG | CAH | 106.3° | 110.8° |
| CAF | CAI | CAH | 108.3° | 106.2° |
| CAF | CAI | CAL | 127.8° | 126.9° |
| CAU | NAG | CAH | 129.1° | 124.6° |
| NAG | CAU | H12 | 108.8° | 109.5° |
| NAG | CAU | H13 | 108.8° | 109.4° |
| NAG | CAH | CAI | 109.8° | 109.5° |
| NAG | CAH | CAJ | 125.1° | 125.2° |
| CAH | CAI | CAL | 123.9° | 126.9° |
| CAI | CAH | CAJ | 125.1° | 125.2° |
| CAI | CAL | OAS | 123.1° | 120.0° |
| CAI | CAL | CAQ | 118.2° | 120.0° |
| CAH | CAJ | H9 | 109.5° | 109.5° |
| CAH | CAJ | H10 | 109.5° | 109.5° |
| CAH | CAJ | H11 | 109.5° | 109.5° |
| OAS | CAL | CAQ | 118.7° | 120.0° |
| CAL | CAQ | OAT | 122.6° | 120.0° |
| CAL | CAQ | NAR | 114.6° | 120.0° |
| OAT | CAQ | NAR | 122.7° | 120.0° |
| CAQ | NAR | H7 | 120.0° | 120.0° |
| CAQ | NAR | H8 | 120.0° | 120.1° |
| H2 | CAM | H3 | 109.4° | 109.4° |
| H7 | NAR | H8 | 120.0° | 120.0° |
| H9 | CAJ | H10 | 109.5° | 109.5° |
| H9 | CAJ | H11 | 109.4° | 109.5° |
| H10 | CAJ | H11 | 109.4° | 109.4° |
| H12 | CAU | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAZ | CAY | CAX | H16 | 180.0° | 179.8° |
| CAY | CAZ | CBA | H17 | 180.0° | 179.8° |
| CAZ | CAY | CAX | CAW | 0.4° | 0.0° |
| CAY | CAZ | CBA | CBB | 179.3° | 180.0° |
| CAY | CAZ | CBA | CAV | 0.9° | 0.5° |
| CAZ | CAY | CAX | H15 | 179.6° | 180.0° |
| CAX | CAY | CAZ | CBA | 0.4° | 0.2° |
| CAY | CAX | CAW | H15 | 180.0° | 180.0° |
| CAY | CAX | CAW | CAV | 0.9° | 0.0° |
| CAY | CAX | CAW | H14 | 179.1° | 180.0° |
| CAX | CAY | CAZ | H17 | 179.6° | 180.0° |
| CAZ | CBA | CBB | CBC | 97.1° | 124.0° |
| CAZ | CBA | CBB | CAV | 178.3° | 179.5° |
| CAZ | CBA | CBB | CBG | 79.3° | 56.3° |
| CAZ | CBA | CAV | CAW | 1.4° | 0.5° |
| CAZ | CBA | CAV | CAU | 179.8° | 179.8° |
| CBA | CAZ | CAY | H16 | 179.6° | 180.0° |
| CAX | CAW | CAV | CBA | 1.4° | 0.3° |
| CAX | CAW | CAV | H14 | 180.0° | 180.0° |
| CAX | CAW | CAV | CAU | 179.9° | 179.9° |
| CAW | CAX | CAY | H16 | 179.6° | 179.8° |
| CBD | CBC | CBB | H18 | 180.0° | 179.9° |
| CBC | CBD | CBE | H19 | 180.0° | 179.9° |
| CBD | CBC | CBB | CBA | 178.4° | 180.0° |
| CBD | CBC | CBB | CBG | 2.0° | 0.3° |
| CBC | CBD | CBE | CBF | 0.3° | 0.1° |
| CBC | CBD | CBE | H20 | 179.7° | 179.9° |
| CBB | CBC | CBD | CBE | 1.1° | 0.1° |
| CBC | CBB | CBA | CBG | 176.4° | 179.7° |
| CBC | CBB | CBA | CAV | 81.2° | 56.5° |
| CBC | CBB | CBG | CBF | 2.0° | 0.6° |
| CBB | CBC | CBD | H19 | 178.9° | 180.0° |
| CBC | CBB | CBG | H22 | 177.9° | 179.8° |
| CBD | CBE | CBF | H20 | 180.0° | 180.0° |
| CBD | CBE | CBF | CBG | 0.4° | 0.3° |
| CBE | CBD | CBC | H18 | 178.9° | 180.0° |
| CBD | CBE | CBF | H21 | 179.6° | 180.0° |
| CAB | CAC | CAD | H5 | 180.0° | 180.0° |
| CAC | CAB | CAA | H4 | 180.0° | 180.0° |
| CAB | CAC | CAD | CAE | 0.8° | 0.0° |
| CAC | CAB | CAA | OAK | 179.8° | 179.9° |
| CAC | CAB | CAA | CAF | 1.0° | 0.2° |
| CAB | CAC | CAD | H6 | 179.2° | 180.0° |
| CAD | CAC | CAB | CAA | 1.2° | 0.0° |
| CAC | CAD | CAE | H6 | 180.0° | 180.0° |
| CAC | CAD | CAE | CAF | 0.1° | 0.3° |
| CAC | CAD | CAE | NAG | 179.0° | 180.0° |
| CAD | CAC | CAB | H4 | 178.8° | 180.0° |
| CBB | CBA | CAV | CAW | 179.5° | 179.9° |
| CBA | CBB | CBG | CBF | 178.5° | 179.7° |
| CBB | CBA | CAV | CAU | 2.0° | 0.3° |
| CBB | CBA | CAZ | H17 | 0.7° | 0.2° |
| CBA | CBB | CBC | H18 | 1.6° | 0.1° |
| CBA | CBB | CBG | H22 | 1.5° | 0.1° |
| CAV | CBA | CBB | CBG | 102.4° | 123.2° |
| CBA | CAV | CAW | CAU | 178.6° | 179.7° |
| CBA | CAV | CAU | NAG | 143.8° | 174.4° |
| CBA | CAV | CAU | H12 | 23.4° | 65.6° |
| CBA | CAV | CAU | H13 | 95.8° | 54.5° |
| CBA | CAV | CAW | H14 | 178.6° | 179.7° |
| CAV | CBA | CAZ | H17 | 179.1° | 179.7° |
| CBB | CBG | CBF | CBE | 1.3° | 0.6° |
| CBB | CBG | CBF | H22 | 180.0° | 179.6° |
| CBG | CBB | CBC | H18 | 178.0° | 179.8° |
| CBB | CBG | CBF | H21 | 178.8° | 179.7° |
| CBE | CBF | CBG | H21 | 180.0° | 179.7° |
| CBF | CBE | CBD | H19 | 179.7° | 180.0° |
| CBE | CBF | CBG | H22 | 178.7° | 179.8° |
| CAB | CAA | OAK | CAM | 39.0° | 0.3° |
| CAB | CAA | OAK | CAF | 178.8° | 179.7° |
| CAB | CAA | CAF | CAE | 0.3° | 0.5° |
| CAB | CAA | CAF | CAI | 178.5° | 179.7° |
| CAA | CAB | CAC | H5 | 178.8° | 180.0° |
| CAW | CAV | CAU | NAG | 37.7° | 5.9° |
| CAW | CAV | CAU | H12 | 158.2° | 114.1° |
| CAW | CAV | CAU | H13 | 82.7° | 125.9° |
| CAV | CAW | CAX | H15 | 179.1° | 179.9° |
| CAD | CAE | CAF | CAA | 0.1° | 0.5° |
| CAD | CAE | CAF | NAG | 179.3° | 179.8° |
| CAD | CAE | CAF | CAI | 179.3° | 179.7° |
| CAD | CAE | NAG | CAU | 1.2° | 0.0° |
| CAD | CAE | NAG | CAH | 179.6° | 179.3° |
| CAE | CAD | CAC | H5 | 179.2° | 180.0° |
| OAP | CAN | CAM | OAO | 179.6° | 179.9° |
| OAP | CAN | CAM | OAK | 153.8° | 0.1° |
| OAP | CAN | OAO | H1 | 0.0° | 0.1° |
| OAP | CAN | CAM | H2 | 86.0° | 120.0° |
| OAP | CAN | CAM | H3 | 33.5° | 120.1° |
| CBG | CBF | CBE | H20 | 179.6° | 179.7° |
| CAN | CAM | OAK | H2 | 120.3° | 120.1° |
| CAN | CAM | OAK | H3 | 120.3° | 120.0° |
| CAN | CAM | OAK | CAA | 111.0° | 180.0° |
| CAM | CAN | OAO | H1 | 179.6° | 180.0° |
| CAN | CAM | H2 | H3 | 119.2° | 119.9° |
| OAK | CAM | CAN | OAO | 25.9° | 180.0° |
| CAM | OAK | CAA | CAF | 142.2° | 180.0° |
| OAK | CAM | H2 | H3 | 119.2° | 120.0° |
| CAV | CAU | NAG | CAE | 79.0° | 85.0° |
| CAV | CAU | NAG | H12 | 120.4° | 120.0° |
| CAV | CAU | NAG | H13 | 120.4° | 120.0° |
| CAV | CAU | NAG | CAH | 103.0° | 94.2° |
| CAV | CAU | H12 | H13 | 118.7° | 120.0° |
| CAU | CAV | CAW | H14 | 0.1° | 0.0° |
| OAO | CAN | CAM | H2 | 94.4° | 59.9° |
| OAO | CAN | CAM | H3 | 146.1° | 60.0° |
| OAK | CAA | CAF | CAE | 179.1° | 179.8° |
| OAK | CAA | CAF | CAI | 0.3° | 0.0° |
| CAA | OAK | CAM | H2 | 9.3° | 59.9° |
| CAA | OAK | CAM | H3 | 128.7° | 60.1° |
| OAK | CAA | CAB | H4 | 0.3° | 0.0° |
| CAA | CAF | CAE | CAI | 179.2° | 179.8° |
| CAA | CAF | CAE | NAG | 179.4° | 179.7° |
| CAA | CAF | CAI | CAH | 179.9° | 180.0° |
| CAA | CAF | CAI | CAL | 0.9° | 0.0° |
| CAF | CAA | CAB | H4 | 179.0° | 179.7° |
| CAF | CAE | NAG | CAU | 179.6° | 179.8° |
| CAF | CAE | NAG | CAH | 1.2° | 0.4° |
| CAE | CAF | CAI | CAH | 1.1° | 0.2° |
| CAE | CAF | CAI | CAL | 179.9° | 179.8° |
| CAF | CAE | CAD | H6 | 179.9° | 179.8° |
| NAG | CAE | CAF | CAI | 1.4° | 0.1° |
| CAE | NAG | CAU | CAH | 178.0° | 179.2° |
| CAE | NAG | CAH | CAI | 0.5° | 0.6° |
| CAE | NAG | CAH | CAJ | 179.7° | 179.9° |
| NAG | CAE | CAD | H6 | 1.0° | 0.0° |
| CAE | NAG | CAU | H12 | 41.4° | 154.9° |
| CAE | NAG | CAU | H13 | 160.6° | 35.0° |
| CAF | CAI | CAH | NAG | 0.4° | 0.5° |
| CAF | CAI | CAH | CAL | 179.1° | 180.0° |
| CAF | CAI | CAH | CAJ | 179.5° | 180.0° |
| CAF | CAI | CAL | OAS | 126.0° | 94.9° |
| CAF | CAI | CAL | CAQ | 55.0° | 85.1° |
| CAU | NAG | CAH | CAI | 178.8° | 179.9° |
| CAU | NAG | CAH | CAJ | 1.4° | 0.6° |
| NAG | CAU | H12 | H13 | 118.7° | 119.9° |
| NAG | CAH | CAI | CAJ | 179.9° | 179.5° |
| NAG | CAH | CAI | CAL | 179.4° | 179.5° |
| NAG | CAH | CAJ | H9 | 89.9° | 84.4° |
| NAG | CAH | CAJ | H10 | 150.1° | 35.6° |
| NAG | CAH | CAJ | H11 | 30.1° | 155.6° |
| CAH | NAG | CAU | H12 | 136.6° | 25.9° |
| CAH | NAG | CAU | H13 | 17.4° | 145.8° |
| CAH | CAI | CAL | OAS | 52.8° | 85.1° |
| CAH | CAI | CAL | CAQ | 126.2° | 94.9° |
| CAI | CAH | CAJ | H9 | 89.9° | 95.0° |
| CAI | CAH | CAJ | H10 | 30.1° | 144.9° |
| CAI | CAH | CAJ | H11 | 150.1° | 25.0° |
| CAL | CAI | CAH | CAJ | 0.4° | 0.0° |
| CAI | CAL | OAS | CAQ | 179.0° | 180.0° |
| CAI | CAL | CAQ | OAT | 1.1° | 5.0° |
| CAI | CAL | CAQ | NAR | 175.3° | 174.9° |
| CAH | CAJ | H9 | H10 | 120.0° | 120.1° |
| CAH | CAJ | H9 | H11 | 120.0° | 120.0° |
| CAH | CAJ | H10 | H11 | 120.0° | 120.0° |
| OAS | CAL | CAQ | OAT | 178.0° | 174.9° |
| OAS | CAL | CAQ | NAR | 5.7° | 5.1° |
| CAL | CAQ | OAT | NAR | 176.1° | 180.0° |
| CAL | CAQ | NAR | H7 | 176.4° | 0.0° |
| CAL | CAQ | NAR | H8 | 3.7° | 180.0° |
| OAT | CAQ | NAR | H7 | 0.0° | 180.0° |
| OAT | CAQ | NAR | H8 | 180.0° | 0.0° |
| CAQ | NAR | H7 | H8 | 180.0° | 180.0° |
| H4 | CAB | CAC | H5 | 1.2° | 0.0° |
| H5 | CAC | CAD | H6 | 0.8° | 0.0° |
| H9 | CAJ | H10 | H11 | 119.9° | 120.0° |
| H14 | CAW | CAX | H15 | 0.9° | 0.1° |
| H15 | CAX | CAY | H16 | 0.4° | 0.2° |
| H16 | CAY | CAZ | H17 | 0.4° | 0.2° |
| H18 | CBC | CBD | H19 | 1.1° | 0.1° |
| H19 | CBD | CBE | H20 | 0.3° | 0.0° |
| H20 | CBE | CBF | H21 | 0.4° | 0.0° |
| H21 | CBF | CBG | H22 | 1.3° | 0.1° |
