ET7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAZ | CBA | doub | 1.38Å | 1.40Å | Aromatic |
| CAZ | CAV | sing | 1.40Å | 1.40Å | Aromatic |
| OBC | CAA | doub | 1.22Å | 1.23Å | |
| CBA | CBB | sing | 1.39Å | 1.39Å | Aromatic |
| CAA | CAV | sing | 1.46Å | 1.40Å | |
| CAA | NAB | sing | 1.31Å | 1.35Å | |
| CAV | CAW | doub | 1.40Å | 1.38Å | Aromatic |
| CBB | CAY | doub | 1.38Å | 1.40Å | Aromatic |
| CAT | NAB | sing | 1.46Å | 1.49Å | |
| CAT | CAU | sing | 1.53Å | 1.54Å | |
| NAB | CAC | sing | 1.39Å | 1.35Å | |
| CAW | CAY | sing | 1.39Å | 1.40Å | Aromatic |
| CAW | SAX | sing | 1.76Å | 1.76Å | |
| CAC | CAF | doub | 1.39Å | 1.40Å | Aromatic |
| CAC | CAD | sing | 1.39Å | 1.39Å | Aromatic |
| CAF | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| SAX | CAD | sing | 1.76Å | 1.72Å | |
| CAD | CAE | doub | 1.39Å | 1.40Å | Aromatic |
| CAG | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | CAH | sing | 1.39Å | 1.41Å | Aromatic |
| CAH | NAI | sing | 1.40Å | 1.36Å | |
| NAI | CAJ | sing | 1.35Å | 1.36Å | |
| CAJ | OAK | doub | 1.21Å | 1.23Å | |
| CAJ | CAL | sing | 1.51Å | 1.54Å | |
| CAN | CAO | doub | 1.38Å | 1.40Å | Aromatic |
| CAN | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | CAM | sing | 1.51Å | 1.40Å | |
| CAM | CAP | doub | 1.38Å | 1.40Å | Aromatic |
| CAR | F1 | sing | 1.35Å | 1.31Å | |
| CAR | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| CAP | CAQ | sing | 1.38Å | 1.40Å | Aromatic |
| CAU | H1 | sing | 1.09Å | 1.10Å | |
| CAU | H2 | sing | 1.09Å | 1.10Å | |
| CAU | H3 | sing | 1.09Å | 1.10Å | |
| CAT | H4 | sing | 1.09Å | 1.10Å | |
| CAT | H5 | sing | 1.09Å | 1.10Å | |
| CAZ | H6 | sing | 1.08Å | 1.08Å | |
| CBA | H7 | sing | 1.08Å | 1.08Å | |
| CBB | H8 | sing | 1.08Å | 1.08Å | |
| CAY | H9 | sing | 1.08Å | 1.08Å | |
| CAE | H10 | sing | 1.08Å | 1.08Å | |
| CAF | H11 | sing | 1.08Å | 1.08Å | |
| CAG | H12 | sing | 1.08Å | 1.08Å | |
| NAI | H13 | sing | 0.97Å | 1.00Å | |
| CAL | H14 | sing | 1.09Å | 1.10Å | |
| CAL | H15 | sing | 1.09Å | 1.10Å | |
| CAN | H16 | sing | 1.08Å | 1.08Å | |
| CAO | H17 | sing | 1.08Å | 1.08Å | |
| CAQ | H18 | sing | 1.08Å | 1.08Å | |
| CAP | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CBA | CAZ | CAV | 119.3° | 120.2° |
| CAZ | CBA | CBB | 120.8° | 120.4° |
| CBA | CAZ | H6 | 120.3° | 119.9° |
| CAZ | CBA | H7 | 119.6° | 119.7° |
| CAZ | CAV | CAA | 115.8° | 119.2° |
| CAZ | CAV | CAW | 120.1° | 118.9° |
| CAV | CAZ | H6 | 120.4° | 119.9° |
| OBC | CAA | CAV | 117.9° | 115.6° |
| OBC | CAA | NAB | 116.7° | 115.7° |
| CBA | CBB | CAY | 119.5° | 120.1° |
| CBB | CBA | H7 | 119.6° | 119.8° |
| CBA | CBB | H8 | 120.3° | 119.9° |
| CAV | CAA | NAB | 125.3° | 128.7° |
| CAA | CAV | CAW | 124.1° | 121.8° |
| CAA | NAB | CAT | 116.5° | 114.8° |
| CAA | NAB | CAC | 126.2° | 130.3° |
| CAV | CAW | CAY | 120.6° | 120.1° |
| CAV | CAW | SAX | 124.1° | 120.1° |
| CBB | CAY | CAW | 119.7° | 120.1° |
| CAY | CBB | H8 | 120.3° | 119.9° |
| CBB | CAY | H9 | 120.1° | 119.9° |
| NAB | CAT | CAU | 109.3° | 109.5° |
| CAT | NAB | CAC | 117.1° | 114.9° |
| NAB | CAT | H4 | 109.5° | 109.5° |
| NAB | CAT | H5 | 109.5° | 109.5° |
| CAT | CAU | H1 | 109.5° | 109.5° |
| CAT | CAU | H2 | 109.5° | 109.4° |
| CAT | CAU | H3 | 109.5° | 109.5° |
| CAU | CAT | H4 | 109.5° | 109.4° |
| CAU | CAT | H5 | 109.5° | 109.4° |
| NAB | CAC | CAF | 115.5° | 118.3° |
| NAB | CAC | CAD | 125.4° | 122.7° |
| CAY | CAW | SAX | 115.3° | 119.8° |
| CAW | CAY | H9 | 120.1° | 120.0° |
| CAW | SAX | CAD | 97.0° | 102.9° |
| CAF | CAC | CAD | 119.1° | 118.9° |
| CAC | CAF | CAG | 120.0° | 120.6° |
| CAC | CAF | H11 | 120.0° | 119.8° |
| CAC | CAD | SAX | 124.1° | 120.4° |
| CAC | CAD | CAE | 121.4° | 120.4° |
| CAF | CAG | CAH | 121.5° | 120.4° |
| CAG | CAF | H11 | 120.0° | 119.7° |
| CAF | CAG | H12 | 119.3° | 119.9° |
| SAX | CAD | CAE | 114.4° | 119.2° |
| CAD | CAE | CAH | 119.7° | 120.2° |
| CAD | CAE | H10 | 120.1° | 119.9° |
| CAG | CAH | CAE | 118.3° | 119.6° |
| CAG | CAH | NAI | 117.0° | 120.3° |
| CAH | CAG | H12 | 119.2° | 119.6° |
| CAE | CAH | NAI | 124.7° | 120.2° |
| CAH | CAE | H10 | 120.2° | 119.9° |
| CAH | NAI | CAJ | 123.2° | 120.0° |
| CAH | NAI | H13 | 118.4° | 120.0° |
| NAI | CAJ | OAK | 125.7° | 120.0° |
| NAI | CAJ | CAL | 115.1° | 120.0° |
| CAJ | NAI | H13 | 118.4° | 120.0° |
| OAK | CAJ | CAL | 119.2° | 120.0° |
| CAJ | CAL | CAM | 110.3° | 109.5° |
| CAJ | CAL | H14 | 109.3° | 109.5° |
| CAJ | CAL | H15 | 109.3° | 109.5° |
| CAO | CAN | CAM | 120.6° | 120.0° |
| CAN | CAO | CAR | 119.7° | 120.0° |
| CAO | CAN | H16 | 119.7° | 120.0° |
| CAN | CAO | H17 | 120.2° | 120.0° |
| CAN | CAM | CAL | 120.1° | 119.9° |
| CAN | CAM | CAP | 119.4° | 120.1° |
| CAM | CAN | H16 | 119.7° | 120.0° |
| CAO | CAR | F1 | 119.1° | 120.0° |
| CAO | CAR | CAQ | 120.4° | 120.0° |
| CAR | CAO | H17 | 120.2° | 120.0° |
| CAL | CAM | CAP | 120.5° | 120.0° |
| CAM | CAL | H14 | 109.3° | 109.5° |
| CAM | CAL | H15 | 109.3° | 109.5° |
| CAM | CAP | CAQ | 120.1° | 120.1° |
| CAM | CAP | H19 | 119.9° | 120.0° |
| F1 | CAR | CAQ | 120.5° | 120.0° |
| CAR | CAQ | CAP | 119.8° | 119.9° |
| CAR | CAQ | H18 | 120.1° | 120.1° |
| CAP | CAQ | H18 | 120.1° | 120.0° |
| CAQ | CAP | H19 | 120.0° | 119.9° |
| H1 | CAU | H2 | 109.5° | 109.5° |
| H1 | CAU | H3 | 109.5° | 109.5° |
| H2 | CAU | H3 | 109.5° | 109.4° |
| H4 | CAT | H5 | 109.5° | 109.5° |
| H14 | CAL | H15 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CBA | CAZ | CAV | H6 | 180.0° | 179.9° |
| CAZ | CBA | CBB | H7 | 180.0° | 180.0° |
| CBA | CAZ | CAV | CAA | 179.5° | 179.6° |
| CBA | CAZ | CAV | CAW | 0.1° | 0.4° |
| CAZ | CBA | CBB | CAY | 0.0° | 0.2° |
| CAZ | CBA | CBB | H8 | 180.0° | 179.7° |
| CAZ | CAV | CAA | OBC | 49.0° | 43.2° |
| CAV | CAZ | CBA | CBB | 0.3° | 0.0° |
| CAZ | CAV | CAA | CAW | 179.3° | 179.9° |
| CAZ | CAV | CAA | NAB | 134.5° | 136.9° |
| CAZ | CAV | CAW | CAY | 0.9° | 0.6° |
| CAZ | CAV | CAW | SAX | 179.3° | 179.2° |
| CAV | CAZ | CBA | H7 | 179.6° | 180.0° |
| OBC | CAA | CAV | NAB | 176.5° | 179.9° |
| OBC | CAA | CAV | CAW | 130.3° | 136.9° |
| OBC | CAA | NAB | CAT | 0.3° | 1.2° |
| OBC | CAA | NAB | CAC | 175.6° | 179.1° |
| CBA | CBB | CAY | H8 | 180.0° | 179.9° |
| CBA | CBB | CAY | CAW | 0.7° | 0.1° |
| CBB | CBA | CAZ | H6 | 179.7° | 179.9° |
| CBA | CBB | CAY | H9 | 179.2° | 179.9° |
| CAV | CAA | NAB | CAT | 176.3° | 178.7° |
| CAV | CAA | NAB | CAC | 0.9° | 1.0° |
| CAA | CAV | CAW | CAY | 179.8° | 179.3° |
| CAA | CAV | CAW | SAX | 1.5° | 0.9° |
| CAA | CAV | CAZ | H6 | 0.5° | 0.4° |
| NAB | CAA | CAV | CAW | 46.2° | 43.0° |
| CAA | NAB | CAT | CAC | 175.8° | 179.8° |
| CAA | NAB | CAT | CAU | 97.1° | 89.8° |
| CAA | NAB | CAC | CAF | 135.1° | 135.2° |
| CAA | NAB | CAC | CAD | 46.0° | 44.6° |
| CAA | NAB | CAT | H4 | 22.8° | 150.3° |
| CAA | NAB | CAT | H5 | 142.9° | 30.2° |
| CAV | CAW | CAY | CBB | 1.2° | 0.4° |
| CAV | CAW | CAY | SAX | 178.5° | 179.8° |
| CAV | CAW | SAX | CAD | 58.0° | 60.3° |
| CAW | CAV | CAZ | H6 | 179.9° | 179.7° |
| CAV | CAW | CAY | H9 | 178.8° | 179.5° |
| CBB | CAY | CAW | H9 | 180.0° | 180.0° |
| CBB | CAY | CAW | SAX | 179.7° | 179.3° |
| CAY | CBB | CBA | H7 | 180.0° | 179.8° |
| NAB | CAT | CAU | H4 | 120.0° | 120.0° |
| NAB | CAT | CAU | H5 | 120.0° | 120.0° |
| CAT | NAB | CAC | CAF | 49.5° | 45.1° |
| CAT | NAB | CAC | CAD | 129.4° | 135.2° |
| NAB | CAT | CAU | H1 | 180.0° | 180.0° |
| NAB | CAT | CAU | H2 | 60.0° | 60.0° |
| NAB | CAT | CAU | H3 | 60.0° | 60.0° |
| NAB | CAT | H4 | H5 | 120.1° | 120.1° |
| CAU | CAT | NAB | CAC | 78.7° | 90.0° |
| CAT | CAU | H1 | H2 | 120.0° | 120.0° |
| CAT | CAU | H1 | H3 | 120.0° | 120.0° |
| CAT | CAU | H2 | H3 | 120.0° | 119.9° |
| CAU | CAT | H4 | H5 | 120.1° | 119.9° |
| NAB | CAC | CAF | CAD | 179.0° | 179.8° |
| NAB | CAC | CAF | CAG | 179.4° | 180.0° |
| NAB | CAC | CAD | SAX | 1.7° | 0.5° |
| NAB | CAC | CAD | CAE | 180.0° | 179.8° |
| CAC | NAB | CAT | H4 | 161.4° | 30.0° |
| CAC | NAB | CAT | H5 | 41.3° | 150.0° |
| NAB | CAC | CAF | H11 | 0.7° | 0.0° |
| CAY | CAW | SAX | CAD | 120.4° | 119.9° |
| CAW | CAY | CBB | H8 | 179.3° | 180.0° |
| CAW | SAX | CAD | CAC | 58.0° | 61.2° |
| CAW | SAX | CAD | CAE | 120.4° | 119.0° |
| SAX | CAW | CAY | H9 | 0.3° | 0.7° |
| CAC | CAF | CAG | H11 | 180.0° | 179.9° |
| CAF | CAC | CAD | SAX | 179.4° | 179.8° |
| CAF | CAC | CAD | CAE | 1.1° | 0.0° |
| CAC | CAF | CAG | CAH | 0.2° | 0.6° |
| CAC | CAF | CAG | H12 | 179.8° | 180.0° |
| CAD | CAC | CAF | CAG | 0.4° | 0.2° |
| CAC | CAD | SAX | CAE | 178.4° | 179.8° |
| CAC | CAD | CAE | CAH | 1.7° | 0.1° |
| CAC | CAD | CAE | H10 | 178.3° | 179.9° |
| CAD | CAC | CAF | H11 | 179.6° | 179.8° |
| CAF | CAG | CAH | H12 | 180.0° | 179.4° |
| CAF | CAG | CAH | CAE | 0.8° | 0.8° |
| CAF | CAG | CAH | NAI | 179.8° | 179.7° |
| SAX | CAD | CAE | CAH | 179.8° | 179.9° |
| SAX | CAD | CAE | H10 | 0.2° | 0.1° |
| CAD | CAE | CAH | CAG | 1.5° | 0.6° |
| CAD | CAE | CAH | H10 | 180.0° | 180.0° |
| CAD | CAE | CAH | NAI | 179.5° | 180.0° |
| CAG | CAH | CAE | NAI | 179.0° | 179.5° |
| CAG | CAH | NAI | CAJ | 157.0° | 33.7° |
| CAG | CAH | CAE | H10 | 178.5° | 179.5° |
| CAH | CAG | CAF | H11 | 179.8° | 179.4° |
| CAG | CAH | NAI | H13 | 23.0° | 146.3° |
| CAE | CAH | NAI | CAJ | 24.0° | 146.8° |
| CAE | CAH | CAG | H12 | 179.2° | 179.8° |
| CAE | CAH | NAI | H13 | 156.0° | 33.2° |
| CAH | NAI | CAJ | H13 | 180.0° | 180.0° |
| CAH | NAI | CAJ | OAK | 2.1° | 5.3° |
| CAH | NAI | CAJ | CAL | 179.0° | 174.7° |
| NAI | CAH | CAE | H10 | 0.5° | 0.0° |
| NAI | CAH | CAG | H12 | 0.2° | 0.3° |
| NAI | CAJ | OAK | CAL | 178.9° | 180.0° |
| NAI | CAJ | CAL | CAM | 101.9° | 180.0° |
| NAI | CAJ | CAL | H14 | 137.9° | 60.0° |
| NAI | CAJ | CAL | H15 | 18.2° | 60.0° |
| OAK | CAJ | CAL | CAM | 77.1° | 0.0° |
| OAK | CAJ | NAI | H13 | 177.9° | 174.7° |
| OAK | CAJ | CAL | H14 | 43.0° | 120.0° |
| OAK | CAJ | CAL | H15 | 162.8° | 120.0° |
| CAJ | CAL | CAM | CAN | 54.0° | 89.7° |
| CAJ | CAL | CAM | H14 | 120.1° | 120.0° |
| CAJ | CAL | CAM | H15 | 120.1° | 120.0° |
| CAJ | CAL | CAM | CAP | 126.2° | 90.0° |
| CAL | CAJ | NAI | H13 | 1.0° | 5.3° |
| CAJ | CAL | H14 | H15 | 119.6° | 120.0° |
| CAO | CAN | CAM | H16 | 180.0° | 180.0° |
| CAN | CAO | CAR | H17 | 180.0° | 180.0° |
| CAO | CAN | CAM | CAL | 179.9° | 180.0° |
| CAO | CAN | CAM | CAP | 0.1° | 0.3° |
| CAN | CAO | CAR | F1 | 179.9° | 180.0° |
| CAN | CAO | CAR | CAQ | 0.1° | 0.0° |
| CAM | CAN | CAO | CAR | 0.0° | 0.0° |
| CAN | CAM | CAL | CAP | 179.8° | 179.7° |
| CAN | CAM | CAP | CAQ | 0.0° | 0.6° |
| CAN | CAM | CAL | H14 | 174.1° | 150.3° |
| CAN | CAM | CAL | H15 | 66.2° | 30.3° |
| CAM | CAN | CAO | H17 | 179.9° | 179.9° |
| CAN | CAM | CAP | H19 | 180.0° | 179.7° |
| CAO | CAR | F1 | CAQ | 179.8° | 180.0° |
| CAO | CAR | CAQ | CAP | 0.2° | 0.3° |
| CAR | CAO | CAN | H16 | 179.9° | 180.0° |
| CAO | CAR | CAQ | H18 | 179.8° | 180.0° |
| CAL | CAM | CAP | CAQ | 179.8° | 179.8° |
| CAM | CAL | H14 | H15 | 119.6° | 120.0° |
| CAL | CAM | CAN | H16 | 0.1° | 0.1° |
| CAL | CAM | CAP | H19 | 0.2° | 0.0° |
| CAM | CAP | CAQ | CAR | 0.1° | 0.5° |
| CAM | CAP | CAQ | H19 | 180.0° | 179.7° |
| CAP | CAM | CAL | H14 | 6.1° | 30.0° |
| CAP | CAM | CAL | H15 | 113.7° | 150.0° |
| CAP | CAM | CAN | H16 | 179.9° | 179.7° |
| CAM | CAP | CAQ | H18 | 179.8° | 179.7° |
| F1 | CAR | CAQ | CAP | 180.0° | 179.7° |
| F1 | CAR | CAO | H17 | 0.1° | 0.1° |
| F1 | CAR | CAQ | H18 | 0.0° | 0.0° |
| CAR | CAQ | CAP | H18 | 180.0° | 179.8° |
| CAQ | CAR | CAO | H17 | 179.9° | 179.9° |
| CAR | CAQ | CAP | H19 | 179.9° | 179.7° |
| H1 | CAU | H2 | H3 | 120.0° | 120.0° |
| H1 | CAU | CAT | H4 | 60.0° | 60.0° |
| H1 | CAU | CAT | H5 | 60.1° | 60.0° |
| H2 | CAU | CAT | H4 | 180.0° | 60.0° |
| H2 | CAU | CAT | H5 | 60.0° | 180.0° |
| H3 | CAU | CAT | H4 | 60.0° | 180.0° |
| H3 | CAU | CAT | H5 | 180.0° | 60.1° |
| H6 | CAZ | CBA | H7 | 0.3° | 0.1° |
| H7 | CBA | CBB | H8 | 0.0° | 0.3° |
| H8 | CBB | CAY | H9 | 0.8° | 0.0° |
| H11 | CAF | CAG | H12 | 0.2° | 0.1° |
| H16 | CAN | CAO | H17 | 0.1° | 0.1° |
| H18 | CAQ | CAP | H19 | 0.2° | 0.0° |
