7W3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAY | CAX | doub | 1.38Å | 1.38Å | Aromatic |
| CAY | CAZ | sing | 1.38Å | 1.38Å | Aromatic |
| CAX | CAW | sing | 1.38Å | 1.41Å | Aromatic |
| FBD | CBB | sing | 1.40Å | 1.44Å | |
| CAZ | CBA | doub | 1.38Å | 1.39Å | Aromatic |
| CAB | CAA | doub | 1.39Å | 1.38Å | Aromatic |
| CAB | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| CAW | CBB | sing | 1.51Å | 1.43Å | |
| CAW | CAV | doub | 1.38Å | 1.44Å | Aromatic |
| CAA | CAF | sing | 1.38Å | 1.41Å | Aromatic |
| CBB | FBE | sing | 1.40Å | 1.34Å | |
| CBB | FBC | sing | 1.40Å | 1.41Å | |
| CAM | CAN | sing | 1.51Å | 1.55Å | |
| CAM | OAL | sing | 1.43Å | 1.47Å | |
| OAO | CAN | doub | 1.21Å | 1.27Å | |
| CBA | CAV | sing | 1.38Å | 1.41Å | Aromatic |
| CAC | CAD | doub | 1.39Å | 1.35Å | Aromatic |
| CAN | OAP | sing | 1.34Å | 1.26Å | |
| CAV | CAU | sing | 1.51Å | 1.45Å | |
| CAF | OAL | sing | 1.36Å | 1.38Å | |
| CAF | CAE | doub | 1.40Å | 1.39Å | Aromatic |
| CAD | CAE | sing | 1.40Å | 1.37Å | Aromatic |
| CAD | NAG | sing | 1.38Å | 1.34Å | Aromatic |
| CAE | CAI | sing | 1.48Å | 1.38Å | Aromatic |
| CAU | NAG | sing | 1.46Å | 1.55Å | |
| NAG | CAH | sing | 1.35Å | 1.34Å | Aromatic |
| CAI | CAH | doub | 1.38Å | 1.33Å | Aromatic |
| CAI | CAK | sing | 1.46Å | 1.36Å | |
| CAH | CAJ | sing | 1.51Å | 1.54Å | |
| CAK | OAS | doub | 1.22Å | 1.23Å | |
| CAK | CAQ | sing | 1.49Å | 1.54Å | |
| OAT | CAQ | doub | 1.21Å | 1.22Å | |
| CAQ | NAR | sing | 1.35Å | 1.32Å | |
| OAP | H1 | sing | 0.97Å | 0.95Å | |
| CAM | H2 | sing | 1.09Å | 1.10Å | |
| CAM | H3 | sing | 1.09Å | 1.10Å | |
| CAA | H4 | sing | 1.08Å | 1.08Å | |
| CAB | H5 | sing | 1.08Å | 1.08Å | |
| CAC | 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 | |
| CBA | H14 | sing | 1.08Å | 1.08Å | |
| CAZ | H15 | sing | 1.08Å | 1.08Å | |
| CAY | H16 | sing | 1.08Å | 1.08Å | |
| CAX | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAX | CAY | CAZ | 119.5° | 120.0° |
| CAY | CAX | CAW | 122.0° | 120.0° |
| CAX | CAY | H16 | 120.3° | 120.0° |
| CAY | CAX | H17 | 119.1° | 120.0° |
| CAY | CAZ | CBA | 120.4° | 120.0° |
| CAY | CAZ | H15 | 119.8° | 120.0° |
| CAZ | CAY | H16 | 120.3° | 120.0° |
| CAX | CAW | CBB | 116.0° | 120.0° |
| CAX | CAW | CAV | 118.8° | 120.0° |
| CAW | CAX | H17 | 119.0° | 120.0° |
| FBD | CBB | CAW | 114.0° | 109.4° |
| FBD | CBB | FBE | 104.7° | 109.4° |
| FBD | CBB | FBC | 108.0° | 109.5° |
| CAZ | CBA | CAV | 122.3° | 120.0° |
| CAZ | CBA | H14 | 118.8° | 120.0° |
| CBA | CAZ | H15 | 119.8° | 120.0° |
| CAA | CAB | CAC | 117.6° | 120.7° |
| CAB | CAA | CAF | 119.3° | 120.2° |
| CAB | CAA | H4 | 120.3° | 119.9° |
| CAA | CAB | H5 | 121.2° | 119.6° |
| CAB | CAC | CAD | 122.5° | 120.1° |
| CAC | CAB | H5 | 121.2° | 119.7° |
| CAB | CAC | H6 | 118.7° | 120.0° |
| CBB | CAW | CAV | 125.2° | 120.0° |
| CAW | CBB | FBE | 111.1° | 109.5° |
| CAW | CBB | FBC | 107.6° | 109.5° |
| CAW | CAV | CBA | 117.1° | 120.0° |
| CAW | CAV | CAU | 127.1° | 120.0° |
| CAA | CAF | OAL | 118.3° | 120.2° |
| CAA | CAF | CAE | 121.6° | 119.6° |
| CAF | CAA | H4 | 120.4° | 119.9° |
| FBE | CBB | FBC | 111.5° | 109.5° |
| CAN | CAM | OAL | 107.1° | 109.4° |
| CAM | CAN | OAO | 116.5° | 120.1° |
| CAM | CAN | OAP | 118.6° | 119.9° |
| CAN | CAM | H2 | 110.0° | 109.5° |
| CAN | CAM | H3 | 110.0° | 109.5° |
| CAM | OAL | CAF | 124.2° | 117.0° |
| OAL | CAM | H2 | 110.0° | 109.5° |
| OAL | CAM | H3 | 110.1° | 109.4° |
| OAO | CAN | OAP | 124.9° | 120.0° |
| CBA | CAV | CAU | 115.9° | 120.0° |
| CAV | CBA | H14 | 118.9° | 120.0° |
| CAC | CAD | CAE | 121.2° | 119.3° |
| CAC | CAD | NAG | 128.5° | 132.9° |
| CAD | CAC | H6 | 118.8° | 119.9° |
| CAN | OAP | H1 | 109.5° | 117.0° |
| CAV | CAU | NAG | 112.6° | 109.5° |
| CAV | CAU | H12 | 108.7° | 109.5° |
| CAV | CAU | H13 | 108.7° | 109.5° |
| OAL | CAF | CAE | 120.1° | 120.2° |
| CAF | CAE | CAD | 117.7° | 120.2° |
| CAF | CAE | CAI | 137.3° | 134.0° |
| CAE | CAD | NAG | 110.2° | 107.7° |
| CAD | CAE | CAI | 104.9° | 105.9° |
| CAD | NAG | CAU | 123.1° | 124.6° |
| CAD | NAG | CAH | 106.3° | 110.7° |
| CAE | CAI | CAH | 108.3° | 106.1° |
| CAE | CAI | CAK | 128.6° | 127.0° |
| CAU | NAG | CAH | 130.6° | 124.6° |
| NAG | CAU | H12 | 108.7° | 109.5° |
| NAG | CAU | H13 | 108.7° | 109.5° |
| NAG | CAH | CAI | 110.2° | 109.6° |
| NAG | CAH | CAJ | 125.9° | 125.2° |
| CAH | CAI | CAK | 123.1° | 126.9° |
| CAI | CAH | CAJ | 124.0° | 125.2° |
| CAI | CAK | OAS | 123.9° | 120.0° |
| CAI | CAK | CAQ | 117.8° | 120.0° |
| CAH | CAJ | H9 | 109.5° | 109.5° |
| CAH | CAJ | H10 | 109.5° | 109.5° |
| CAH | CAJ | H11 | 109.5° | 109.5° |
| OAS | CAK | CAQ | 118.3° | 120.0° |
| CAK | CAQ | OAT | 121.8° | 120.0° |
| CAK | CAQ | NAR | 116.0° | 120.0° |
| OAT | CAQ | NAR | 122.2° | 119.9° |
| CAQ | NAR | H7 | 120.0° | 120.0° |
| CAQ | NAR | H8 | 120.0° | 120.1° |
| H2 | CAM | H3 | 109.5° | 109.5° |
| H7 | NAR | H8 | 120.0° | 120.0° |
| H9 | CAJ | H10 | 109.4° | 109.4° |
| H9 | CAJ | H11 | 109.5° | 109.5° |
| H10 | CAJ | H11 | 109.5° | 109.5° |
| H12 | CAU | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAX | CAY | CAZ | H16 | 180.0° | 179.7° |
| CAY | CAX | CAW | H17 | 180.0° | 179.8° |
| CAX | CAY | CAZ | CBA | 0.4° | 0.0° |
| CAY | CAX | CAW | CBB | 179.8° | 180.0° |
| CAY | CAX | CAW | CAV | 0.3° | 0.5° |
| CAX | CAY | CAZ | H15 | 179.6° | 180.0° |
| CAZ | CAY | CAX | CAW | 0.0° | 0.2° |
| CAY | CAZ | CBA | H15 | 180.0° | 180.0° |
| CAY | CAZ | CBA | CAV | 0.6° | 0.1° |
| CAY | CAZ | CBA | H14 | 179.5° | 180.0° |
| CAZ | CAY | CAX | H17 | 180.0° | 180.0° |
| CAX | CAW | CBB | FBD | 9.0° | 115.6° |
| CAX | CAW | CBB | CAV | 180.0° | 179.5° |
| CAX | CAW | CBB | FBE | 127.0° | 4.3° |
| CAX | CAW | CBB | FBC | 110.7° | 124.3° |
| CAX | CAW | CAV | CBA | 0.1° | 0.6° |
| CAX | CAW | CAV | CAU | 179.9° | 179.7° |
| CAW | CAX | CAY | H16 | 180.0° | 179.9° |
| FBD | CBB | CAW | FBE | 118.0° | 120.0° |
| FBD | CBB | CAW | FBC | 119.7° | 120.0° |
| FBD | CBB | CAW | CAV | 171.0° | 63.8° |
| FBD | CBB | FBE | FBC | 116.5° | 120.0° |
| CAZ | CBA | CAV | CAW | 0.3° | 0.4° |
| CAZ | CBA | CAV | H14 | 180.0° | 179.9° |
| CAZ | CBA | CAV | CAU | 179.5° | 179.9° |
| CBA | CAZ | CAY | H16 | 179.6° | 179.7° |
| CAA | CAB | CAC | H5 | 180.0° | 179.9° |
| CAB | CAA | CAF | H4 | 180.0° | 180.0° |
| CAA | CAB | CAC | CAD | 1.2° | 0.0° |
| CAB | CAA | CAF | OAL | 179.6° | 180.0° |
| CAB | CAA | CAF | CAE | 1.2° | 0.3° |
| CAA | CAB | CAC | H6 | 178.8° | 180.0° |
| CAC | CAB | CAA | CAF | 1.5° | 0.0° |
| CAB | CAC | CAD | H6 | 180.0° | 180.0° |
| CAB | CAC | CAD | CAE | 0.4° | 0.2° |
| CAB | CAC | CAD | NAG | 179.2° | 180.0° |
| CAC | CAB | CAA | H4 | 178.5° | 179.9° |
| CAW | CBB | FBE | FBC | 120.0° | 120.1° |
| CBB | CAW | CAV | CBA | 179.9° | 179.9° |
| CBB | CAW | CAV | CAU | 0.1° | 0.2° |
| CBB | CAW | CAX | H17 | 0.2° | 0.2° |
| CAV | CAW | CBB | FBE | 53.0° | 176.2° |
| CAV | CAW | CBB | FBC | 69.3° | 56.2° |
| CAW | CAV | CBA | CAU | 179.9° | 179.7° |
| CAW | CAV | CAU | NAG | 138.6° | 174.6° |
| CAW | CAV | CAU | H12 | 18.1° | 65.4° |
| CAW | CAV | CAU | H13 | 101.0° | 54.6° |
| CAW | CAV | CBA | H14 | 179.7° | 179.8° |
| CAV | CAW | CAX | H17 | 179.7° | 179.7° |
| CAA | CAF | OAL | CAM | 40.8° | 0.3° |
| CAA | CAF | OAL | CAE | 178.4° | 179.7° |
| CAA | CAF | CAE | CAD | 0.4° | 0.5° |
| CAA | CAF | CAE | CAI | 177.9° | 179.8° |
| CAF | CAA | CAB | H5 | 178.4° | 180.0° |
| CAN | CAM | OAL | H2 | 119.6° | 120.0° |
| CAN | CAM | OAL | H3 | 119.6° | 120.0° |
| CAM | CAN | OAO | OAP | 179.5° | 179.8° |
| CAN | CAM | OAL | CAF | 125.1° | 180.0° |
| CAM | CAN | OAP | H1 | 179.5° | 179.8° |
| CAN | CAM | H2 | H3 | 121.1° | 120.1° |
| OAL | CAM | CAN | OAO | 151.4° | 0.0° |
| OAL | CAM | CAN | OAP | 28.1° | 179.7° |
| CAM | OAL | CAF | CAE | 140.8° | 180.0° |
| OAL | CAM | H2 | H3 | 121.1° | 120.0° |
| OAO | CAN | OAP | H1 | 0.0° | 0.0° |
| OAO | CAN | CAM | H2 | 89.0° | 119.9° |
| OAO | CAN | CAM | H3 | 31.7° | 120.0° |
| CBA | CAV | CAU | NAG | 41.3° | 5.7° |
| CBA | CAV | CAU | H12 | 161.8° | 114.3° |
| CBA | CAV | CAU | H13 | 79.2° | 125.7° |
| CAV | CBA | CAZ | H15 | 179.4° | 180.0° |
| CAC | CAD | CAE | CAF | 0.0° | 0.5° |
| CAC | CAD | CAE | NAG | 179.7° | 179.8° |
| CAC | CAD | CAE | CAI | 178.8° | 179.7° |
| CAC | CAD | NAG | CAU | 0.6° | 0.0° |
| CAC | CAD | NAG | CAH | 179.3° | 179.4° |
| CAD | CAC | CAB | H5 | 178.8° | 180.0° |
| OAP | CAN | CAM | H2 | 91.5° | 60.3° |
| OAP | CAN | CAM | H3 | 147.8° | 59.8° |
| CAV | CAU | NAG | CAD | 74.4° | 85.3° |
| CAV | CAU | NAG | H12 | 120.5° | 120.0° |
| CAV | CAU | NAG | H13 | 120.5° | 120.0° |
| CAV | CAU | NAG | CAH | 105.7° | 94.0° |
| CAV | CAU | H12 | H13 | 118.5° | 120.0° |
| CAU | CAV | CBA | H14 | 0.4° | 0.1° |
| OAL | CAF | CAE | CAD | 178.7° | 179.8° |
| OAL | CAF | CAE | CAI | 0.4° | 0.1° |
| CAF | OAL | CAM | H2 | 5.5° | 60.0° |
| CAF | OAL | CAM | H3 | 115.3° | 60.0° |
| OAL | CAF | CAA | H4 | 0.4° | 0.1° |
| CAF | CAE | CAD | CAI | 178.8° | 179.8° |
| CAF | CAE | CAD | NAG | 179.7° | 179.7° |
| CAF | CAE | CAI | CAH | 179.8° | 179.9° |
| CAF | CAE | CAI | CAK | 0.6° | 0.0° |
| CAE | CAF | CAA | H4 | 178.8° | 179.8° |
| CAE | CAD | NAG | CAU | 179.0° | 179.8° |
| CAE | CAD | NAG | CAH | 1.1° | 0.4° |
| CAD | CAE | CAI | CAH | 1.4° | 0.2° |
| CAD | CAE | CAI | CAK | 179.0° | 179.7° |
| CAE | CAD | CAC | H6 | 179.6° | 179.8° |
| NAG | CAD | CAE | CAI | 1.5° | 0.1° |
| CAD | NAG | CAU | CAH | 179.9° | 179.3° |
| CAD | NAG | CAH | CAI | 0.2° | 0.6° |
| CAD | NAG | CAH | CAJ | 179.8° | 179.9° |
| NAG | CAD | CAC | H6 | 0.8° | 0.0° |
| CAD | NAG | CAU | H12 | 46.0° | 154.8° |
| CAD | NAG | CAU | H13 | 165.1° | 34.8° |
| CAE | CAI | CAH | NAG | 0.8° | 0.5° |
| CAE | CAI | CAH | CAK | 179.6° | 180.0° |
| CAE | CAI | CAH | CAJ | 179.3° | 180.0° |
| CAE | CAI | CAK | OAS | 127.9° | 94.7° |
| CAE | CAI | CAK | CAQ | 53.5° | 85.2° |
| CAU | NAG | CAH | CAI | 179.9° | 179.9° |
| CAU | NAG | CAH | CAJ | 0.2° | 0.5° |
| NAG | CAU | H12 | H13 | 118.6° | 120.0° |
| NAG | CAH | CAI | CAJ | 179.9° | 179.6° |
| NAG | CAH | CAI | CAK | 179.6° | 179.5° |
| NAG | CAH | CAJ | H9 | 90.0° | 84.3° |
| NAG | CAH | CAJ | H10 | 150.0° | 35.6° |
| NAG | CAH | CAJ | H11 | 30.0° | 155.6° |
| CAH | NAG | CAU | H12 | 133.8° | 26.0° |
| CAH | NAG | CAU | H13 | 14.8° | 146.0° |
| CAH | CAI | CAK | OAS | 51.7° | 85.3° |
| CAH | CAI | CAK | CAQ | 127.0° | 94.8° |
| CAI | CAH | CAJ | H9 | 90.0° | 95.1° |
| CAI | CAH | CAJ | H10 | 29.9° | 144.9° |
| CAI | CAH | CAJ | H11 | 150.0° | 24.9° |
| CAK | CAI | CAH | CAJ | 0.3° | 0.1° |
| CAI | CAK | OAS | CAQ | 178.6° | 179.9° |
| CAI | CAK | CAQ | OAT | 2.1° | 5.2° |
| CAI | CAK | CAQ | NAR | 174.9° | 174.8° |
| CAH | CAJ | H9 | H10 | 120.0° | 119.9° |
| CAH | CAJ | H9 | H11 | 120.0° | 120.1° |
| CAH | CAJ | H10 | H11 | 120.0° | 120.1° |
| OAS | CAK | CAQ | OAT | 176.6° | 174.8° |
| OAS | CAK | CAQ | NAR | 6.4° | 5.1° |
| CAK | CAQ | OAT | NAR | 176.8° | 179.9° |
| CAK | CAQ | NAR | H7 | 177.0° | 0.1° |
| CAK | CAQ | NAR | H8 | 3.0° | 180.0° |
| OAT | CAQ | NAR | H7 | 0.0° | 180.0° |
| OAT | CAQ | NAR | H8 | 180.0° | 0.1° |
| CAQ | NAR | H7 | H8 | 180.0° | 179.9° |
| H4 | CAA | CAB | H5 | 1.5° | 0.0° |
| H5 | CAB | CAC | H6 | 1.2° | 0.0° |
| H9 | CAJ | H10 | H11 | 120.0° | 120.0° |
| H14 | CBA | CAZ | H15 | 0.5° | 0.1° |
| H15 | CAZ | CAY | H16 | 0.4° | 0.3° |
| H16 | CAY | CAX | H17 | 0.0° | 0.3° |
