A1ET8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAH | CAB | sing | 1.35Å | 1.37Å | |
| CAB | CAC | doub | 1.39Å | 1.37Å | Aromatic |
| CAB | CAA | sing | 1.39Å | 1.33Å | Aromatic |
| OAX | CAO | sing | 1.43Å | 1.44Å | |
| CAC | CAD | sing | 1.38Å | 1.42Å | Aromatic |
| CAA | CAF | doub | 1.38Å | 1.41Å | Aromatic |
| CAO | CAM | sing | 1.51Å | 1.42Å | |
| CAO | CAP | sing | 1.53Å | 1.55Å | |
| CAM | CAL | doub | 1.33Å | 1.43Å | |
| CAD | CAL | sing | 1.47Å | 1.43Å | |
| CAD | CAE | doub | 1.42Å | 1.39Å | Aromatic |
| CAP | CAQ | sing | 1.53Å | 1.46Å | |
| CAF | CAE | sing | 1.40Å | 1.36Å | Aromatic |
| CAF | OAG | sing | 1.36Å | 1.37Å | |
| CAE | CAI | sing | 1.46Å | 1.46Å | |
| CAQ | CAR | sing | 1.53Å | 1.49Å | |
| CAI | OAJ | sing | 1.34Å | 1.31Å | |
| CAI | OAK | doub | 1.22Å | 1.25Å | |
| CAR | OAW | sing | 1.43Å | 1.49Å | |
| CAR | CAV | sing | 1.53Å | 1.56Å | |
| OAJ | CAN | sing | 1.45Å | 1.40Å | |
| CAV | CAU | sing | 1.53Å | 1.52Å | |
| CAN | CAS | sing | 1.53Å | 1.48Å | |
| CAN | CAT | sing | 1.53Å | 1.53Å | |
| CAU | CAS | sing | 1.53Å | 1.54Å | |
| CAP | H1 | sing | 1.09Å | 1.10Å | |
| CAP | H2 | sing | 1.09Å | 1.10Å | |
| CAQ | H3 | sing | 1.09Å | 1.10Å | |
| CAQ | H4 | sing | 1.09Å | 1.10Å | |
| CAR | H5 | sing | 1.09Å | 1.10Å | |
| OAW | H6 | sing | 0.97Å | 0.95Å | |
| CAV | H7 | sing | 1.09Å | 1.10Å | |
| CAV | H8 | sing | 1.09Å | 1.10Å | |
| CAU | H9 | sing | 1.09Å | 1.10Å | |
| CAU | H10 | sing | 1.09Å | 1.10Å | |
| CAS | H11 | sing | 1.09Å | 1.10Å | |
| CAS | H12 | sing | 1.09Å | 1.10Å | |
| CAN | H13 | sing | 1.10Å | 1.10Å | |
| CAT | H14 | sing | 1.09Å | 1.10Å | |
| CAT | H15 | sing | 1.09Å | 1.10Å | |
| CAT | H16 | sing | 1.09Å | 1.10Å | |
| OAG | H17 | sing | 0.97Å | 0.95Å | |
| CAA | H18 | sing | 1.08Å | 1.08Å | |
| OAH | H19 | sing | 0.97Å | 0.95Å | |
| CAC | H20 | sing | 1.08Å | 1.08Å | |
| CAL | H21 | sing | 1.07Å | 1.08Å | |
| CAM | H22 | sing | 1.08Å | 1.08Å | |
| CAO | H23 | sing | 1.09Å | 1.10Å | |
| OAX | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAH | CAB | CAC | 123.1° | 119.8° |
| OAH | CAB | CAA | 119.0° | 119.8° |
| CAB | OAH | H19 | 109.5° | 114.0° |
| CAC | CAB | CAA | 117.9° | 120.3° |
| CAB | CAC | CAD | 123.1° | 120.2° |
| CAB | CAC | H20 | 118.5° | 119.6° |
| CAB | CAA | CAF | 120.0° | 120.2° |
| CAB | CAA | H18 | 120.0° | 120.0° |
| OAX | CAO | CAM | 104.6° | 109.9° |
| OAX | CAO | CAP | 99.2° | 109.9° |
| OAX | CAO | H23 | 112.0° | 109.3° |
| CAO | OAX | H24 | 109.5° | 114.0° |
| CAC | CAD | CAL | 117.2° | 122.3° |
| CAC | CAD | CAE | 118.5° | 119.6° |
| CAD | CAC | H20 | 118.5° | 120.2° |
| CAA | CAF | CAE | 123.8° | 120.1° |
| CAA | CAF | OAG | 119.0° | 119.7° |
| CAF | CAA | H18 | 120.0° | 119.8° |
| CAM | CAO | CAP | 117.5° | 109.5° |
| CAO | CAM | CAL | 122.8° | 119.9° |
| CAO | CAM | H22 | 118.6° | 120.1° |
| CAM | CAO | H23 | 112.3° | 109.2° |
| CAO | CAP | CAQ | 116.5° | 110.2° |
| CAO | CAP | H1 | 107.7° | 109.3° |
| CAO | CAP | H2 | 107.7° | 109.4° |
| CAP | CAO | H23 | 110.3° | 109.1° |
| CAM | CAL | CAD | 115.4° | 119.3° |
| CAM | CAL | H21 | 122.3° | 117.7° |
| CAL | CAM | H22 | 118.6° | 120.0° |
| CAL | CAD | CAE | 124.4° | 118.0° |
| CAD | CAL | H21 | 122.3° | 122.9° |
| CAD | CAE | CAF | 116.8° | 119.3° |
| CAD | CAE | CAI | 122.1° | 119.0° |
| CAP | CAQ | CAR | 107.4° | 109.5° |
| CAQ | CAP | H1 | 107.7° | 109.4° |
| CAQ | CAP | H2 | 107.7° | 109.4° |
| CAP | CAQ | H3 | 110.0° | 109.6° |
| CAP | CAQ | H4 | 110.0° | 109.9° |
| CAE | CAF | OAG | 117.2° | 120.2° |
| CAF | CAE | CAI | 121.0° | 121.7° |
| CAF | OAG | H17 | 109.5° | 114.0° |
| CAE | CAI | OAJ | 115.8° | 122.8° |
| CAE | CAI | OAK | 121.8° | 118.3° |
| CAQ | CAR | OAW | 112.1° | 109.4° |
| CAQ | CAR | CAV | 110.9° | 109.6° |
| CAR | CAQ | H3 | 110.0° | 109.2° |
| CAR | CAQ | H4 | 110.0° | 109.1° |
| CAQ | CAR | H5 | 108.2° | 109.5° |
| OAJ | CAI | OAK | 122.3° | 118.8° |
| CAI | OAJ | CAN | 121.1° | 117.9° |
| OAW | CAR | CAV | 109.9° | 109.4° |
| OAW | CAR | H5 | 108.2° | 109.3° |
| CAR | OAW | H6 | 109.5° | 114.0° |
| CAR | CAV | CAU | 115.7° | 109.6° |
| CAV | CAR | H5 | 107.4° | 109.7° |
| CAR | CAV | H7 | 107.9° | 109.7° |
| CAR | CAV | H8 | 107.9° | 109.5° |
| OAJ | CAN | CAS | 112.5° | 110.7° |
| OAJ | CAN | CAT | 111.1° | 109.7° |
| OAJ | CAN | H13 | 108.6° | 108.5° |
| CAV | CAU | CAS | 111.3° | 109.2° |
| CAU | CAV | H7 | 107.9° | 109.4° |
| CAU | CAV | H8 | 107.9° | 109.3° |
| CAV | CAU | H9 | 109.0° | 109.5° |
| CAV | CAU | H10 | 109.0° | 108.8° |
| CAS | CAN | CAT | 110.0° | 110.2° |
| CAN | CAS | CAU | 108.6° | 111.1° |
| CAN | CAS | H11 | 109.7° | 109.4° |
| CAN | CAS | H12 | 109.7° | 109.8° |
| CAS | CAN | H13 | 107.5° | 109.0° |
| CAT | CAN | H13 | 106.9° | 108.7° |
| CAN | CAT | H14 | 109.5° | 109.5° |
| CAN | CAT | H15 | 109.5° | 109.5° |
| CAN | CAT | H16 | 109.5° | 109.5° |
| CAS | CAU | H9 | 109.0° | 109.8° |
| CAS | CAU | H10 | 109.0° | 109.9° |
| CAU | CAS | H11 | 109.7° | 109.3° |
| CAU | CAS | H12 | 109.7° | 109.0° |
| H1 | CAP | H2 | 109.5° | 109.1° |
| H3 | CAQ | H4 | 109.5° | 109.5° |
| H7 | CAV | H8 | 109.5° | 109.5° |
| H9 | CAU | H10 | 109.5° | 109.7° |
| H11 | CAS | H12 | 109.5° | 108.2° |
| H14 | CAT | H15 | 109.5° | 109.5° |
| H14 | CAT | H16 | 109.4° | 109.5° |
| H15 | CAT | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAH | CAB | CAC | CAA | 179.5° | 179.9° |
| OAH | CAB | CAC | CAD | 179.7° | 179.5° |
| OAH | CAB | CAA | CAF | 179.9° | 179.0° |
| OAH | CAB | CAA | H18 | 0.0° | 1.6° |
| OAH | CAB | CAC | H20 | 0.3° | 0.2° |
| CAB | CAC | CAD | H20 | 180.0° | 179.3° |
| CAC | CAB | CAA | CAF | 0.5° | 1.1° |
| CAB | CAC | CAD | CAL | 178.6° | 176.6° |
| CAB | CAC | CAD | CAE | 0.2° | 2.2° |
| CAC | CAB | CAA | H18 | 179.5° | 178.3° |
| CAC | CAB | OAH | H19 | 180.0° | 90.0° |
| CAA | CAB | CAC | CAD | 0.2° | 0.6° |
| CAB | CAA | CAF | H18 | 180.0° | 179.4° |
| CAB | CAA | CAF | CAE | 0.9° | 1.2° |
| CAB | CAA | CAF | OAG | 178.2° | 179.6° |
| CAA | CAB | OAH | H19 | 0.5° | 89.9° |
| CAA | CAB | CAC | H20 | 179.8° | 180.0° |
| OAX | CAO | CAM | CAP | 108.7° | 120.8° |
| OAX | CAO | CAM | H23 | 121.7° | 119.9° |
| OAX | CAO | CAP | H23 | 117.7° | 119.8° |
| OAX | CAO | CAM | CAL | 127.5° | 42.1° |
| OAX | CAO | CAP | CAQ | 162.9° | 33.4° |
| OAX | CAO | CAP | H1 | 76.0° | 86.9° |
| OAX | CAO | CAP | H2 | 41.9° | 153.7° |
| OAX | CAO | CAM | H22 | 52.5° | 140.4° |
| CAC | CAD | CAL | CAM | 59.2° | 30.5° |
| CAC | CAD | CAL | CAE | 178.7° | 178.8° |
| CAC | CAD | CAE | CAF | 0.6° | 4.5° |
| CAC | CAD | CAE | CAI | 176.9° | 177.3° |
| CAC | CAD | CAL | H21 | 120.7° | 151.9° |
| CAA | CAF | CAE | CAD | 0.9° | 4.0° |
| CAA | CAF | CAE | OAG | 177.3° | 179.2° |
| CAA | CAF | CAE | CAI | 177.3° | 177.9° |
| CAA | CAF | OAG | H17 | 179.8° | 89.2° |
| CAM | CAO | CAP | H23 | 130.5° | 119.4° |
| CAO | CAM | CAL | H22 | 180.0° | 177.4° |
| CAO | CAM | CAL | CAD | 171.1° | 174.6° |
| CAM | CAO | CAP | CAQ | 51.1° | 87.4° |
| CAM | CAO | CAP | H1 | 172.1° | 152.3° |
| CAM | CAO | CAP | H2 | 69.9° | 32.9° |
| CAO | CAM | CAL | H21 | 8.9° | 3.1° |
| CAM | CAO | OAX | H24 | 180.0° | 60.0° |
| CAP | CAO | CAM | CAL | 123.7° | 78.6° |
| CAO | CAP | CAQ | H1 | 121.0° | 120.2° |
| CAO | CAP | CAQ | H2 | 121.0° | 120.3° |
| CAO | CAP | CAQ | CAR | 82.6° | 159.7° |
| CAO | CAP | H1 | H2 | 116.8° | 119.6° |
| CAO | CAP | CAQ | H3 | 157.7° | 80.5° |
| CAO | CAP | CAQ | H4 | 37.1° | 39.9° |
| CAP | CAO | CAM | H22 | 56.2° | 98.8° |
| CAP | CAO | OAX | H24 | 58.3° | 179.4° |
| CAM | CAL | CAD | H21 | 180.0° | 177.6° |
| CAM | CAL | CAD | CAE | 122.0° | 148.3° |
| CAL | CAM | CAO | H23 | 5.8° | 162.0° |
| CAL | CAD | CAE | CAF | 178.2° | 174.4° |
| CAL | CAD | CAE | CAI | 1.9° | 3.8° |
| CAL | CAD | CAC | H20 | 1.4° | 4.1° |
| CAD | CAL | CAM | H22 | 8.9° | 2.8° |
| CAD | CAE | CAF | CAI | 176.3° | 178.1° |
| CAD | CAE | CAF | OAG | 178.3° | 176.8° |
| CAD | CAE | CAI | OAJ | 6.5° | 135.4° |
| CAD | CAE | CAI | OAK | 177.3° | 48.0° |
| CAE | CAD | CAC | H20 | 179.7° | 177.1° |
| CAE | CAD | CAL | H21 | 58.0° | 29.2° |
| CAP | CAQ | CAR | H3 | 119.7° | 120.0° |
| CAP | CAQ | CAR | H4 | 119.7° | 120.3° |
| CAP | CAQ | CAR | OAW | 68.5° | 68.2° |
| CAP | CAQ | CAR | CAV | 168.4° | 171.9° |
| CAQ | CAP | H1 | H2 | 116.8° | 119.7° |
| CAP | CAQ | H3 | H4 | 121.0° | 120.6° |
| CAP | CAQ | CAR | H5 | 50.8° | 51.5° |
| CAQ | CAP | CAO | H23 | 79.4° | 153.2° |
| CAF | CAE | CAI | OAJ | 169.7° | 42.7° |
| CAF | CAE | CAI | OAK | 6.5° | 133.9° |
| CAE | CAF | OAG | H17 | 2.4° | 90.0° |
| CAE | CAF | CAA | H18 | 179.1° | 179.4° |
| OAG | CAF | CAE | CAI | 5.4° | 1.3° |
| OAG | CAF | CAA | H18 | 1.8° | 0.2° |
| CAE | CAI | OAJ | OAK | 176.2° | 176.6° |
| CAE | CAI | OAJ | CAN | 169.3° | 168.1° |
| CAQ | CAR | OAW | CAV | 123.7° | 120.0° |
| CAQ | CAR | OAW | H5 | 119.3° | 119.9° |
| CAQ | CAR | CAV | H5 | 118.0° | 120.3° |
| CAQ | CAR | CAV | CAU | 62.0° | 97.8° |
| CAR | CAQ | CAP | H1 | 38.4° | 80.1° |
| CAR | CAQ | CAP | H2 | 156.4° | 39.4° |
| CAR | CAQ | H3 | H4 | 121.0° | 119.4° |
| CAQ | CAR | OAW | H6 | 180.0° | 60.0° |
| CAQ | CAR | CAV | H7 | 177.1° | 142.1° |
| CAQ | CAR | CAV | H8 | 58.9° | 22.0° |
| CAI | OAJ | CAN | CAS | 154.9° | 64.6° |
| CAI | OAJ | CAN | CAT | 81.3° | 173.6° |
| CAI | OAJ | CAN | H13 | 35.9° | 54.9° |
| OAK | CAI | OAJ | CAN | 6.9° | 8.5° |
| OAW | CAR | CAV | H5 | 117.5° | 119.9° |
| OAW | CAR | CAV | CAU | 173.5° | 142.3° |
| OAW | CAR | CAQ | H3 | 51.2° | 51.8° |
| OAW | CAR | CAQ | H4 | 171.9° | 171.4° |
| OAW | CAR | CAV | H7 | 52.6° | 22.3° |
| OAW | CAR | CAV | H8 | 65.6° | 97.9° |
| CAR | CAV | CAU | H7 | 120.9° | 120.2° |
| CAR | CAV | CAU | H8 | 120.9° | 120.0° |
| CAR | CAV | CAU | CAS | 78.4° | 120.9° |
| CAV | CAR | CAQ | H3 | 72.0° | 68.1° |
| CAV | CAR | CAQ | H4 | 48.7° | 51.6° |
| CAV | CAR | OAW | H6 | 56.3° | 180.0° |
| CAR | CAV | H7 | H8 | 117.1° | 120.1° |
| CAR | CAV | CAU | H9 | 161.3° | 0.7° |
| CAR | CAV | CAU | H10 | 41.8° | 119.2° |
| OAJ | CAN | CAS | CAT | 124.4° | 121.5° |
| OAJ | CAN | CAS | H13 | 119.6° | 119.3° |
| OAJ | CAN | CAT | H13 | 118.3° | 118.5° |
| OAJ | CAN | CAS | CAU | 67.9° | 60.0° |
| OAJ | CAN | CAS | H11 | 172.3° | 179.3° |
| OAJ | CAN | CAS | H12 | 52.0° | 60.7° |
| OAJ | CAN | CAT | H14 | 180.0° | 177.9° |
| OAJ | CAN | CAT | H15 | 60.0° | 57.8° |
| OAJ | CAN | CAT | H16 | 60.0° | 62.1° |
| CAV | CAU | CAS | CAN | 164.1° | 167.4° |
| CAV | CAU | CAS | H9 | 120.3° | 120.0° |
| CAV | CAU | CAS | H10 | 120.3° | 119.2° |
| CAU | CAV | CAR | H5 | 56.0° | 22.4° |
| CAU | CAV | H7 | H8 | 117.2° | 119.7° |
| CAV | CAU | H9 | H10 | 119.2° | 119.3° |
| CAV | CAU | CAS | H11 | 76.0° | 71.8° |
| CAV | CAU | CAS | H12 | 44.3° | 46.3° |
| CAS | CAN | CAT | H13 | 116.5° | 119.4° |
| CAN | CAS | CAU | H11 | 119.9° | 120.8° |
| CAN | CAS | CAU | H12 | 119.9° | 121.1° |
| CAN | CAS | CAU | H9 | 75.6° | 47.3° |
| CAN | CAS | CAU | H10 | 43.9° | 73.4° |
| CAN | CAS | H11 | H12 | 120.4° | 119.6° |
| CAS | CAN | CAT | H14 | 54.7° | 60.0° |
| CAS | CAN | CAT | H15 | 174.8° | 179.9° |
| CAS | CAN | CAT | H16 | 65.2° | 60.0° |
| CAT | CAN | CAS | CAU | 167.7° | 61.6° |
| CAT | CAN | CAS | H11 | 47.9° | 59.2° |
| CAT | CAN | CAS | H12 | 72.4° | 177.8° |
| CAN | CAT | H14 | H15 | 120.0° | 120.0° |
| CAN | CAT | H14 | H16 | 120.0° | 120.0° |
| CAN | CAT | H15 | H16 | 120.0° | 119.9° |
| CAS | CAU | CAV | H7 | 42.5° | 118.9° |
| CAS | CAU | CAV | H8 | 160.7° | 0.9° |
| CAS | CAU | H9 | H10 | 119.1° | 120.8° |
| CAU | CAS | H11 | H12 | 120.4° | 118.6° |
| CAU | CAS | CAN | H13 | 51.7° | 179.2° |
| H1 | CAP | CAQ | H3 | 81.3° | 39.7° |
| H1 | CAP | CAQ | H4 | 158.1° | 160.1° |
| H1 | CAP | CAO | H23 | 41.6° | 32.9° |
| H2 | CAP | CAQ | H3 | 36.7° | 159.2° |
| H2 | CAP | CAQ | H4 | 83.9° | 80.4° |
| H2 | CAP | CAO | H23 | 159.6° | 86.5° |
| H3 | CAQ | CAR | H5 | 170.5° | 171.6° |
| H4 | CAQ | CAR | H5 | 68.9° | 68.8° |
| H5 | CAR | OAW | H6 | 60.7° | 59.9° |
| H5 | CAR | CAV | H7 | 64.9° | 97.6° |
| H5 | CAR | CAV | H8 | 176.9° | 142.3° |
| H7 | CAV | CAU | H9 | 77.8° | 120.9° |
| H7 | CAV | CAU | H10 | 162.7° | 1.0° |
| H8 | CAV | CAU | H9 | 40.4° | 119.3° |
| H8 | CAV | CAU | H10 | 79.1° | 120.9° |
| H9 | CAU | CAS | H11 | 44.3° | 168.1° |
| H9 | CAU | CAS | H12 | 164.5° | 73.7° |
| H10 | CAU | CAS | H11 | 163.8° | 47.4° |
| H10 | CAU | CAS | H12 | 76.0° | 165.6° |
| H11 | CAS | CAN | H13 | 68.2° | 60.0° |
| H12 | CAS | CAN | H13 | 171.6° | 58.6° |
| H13 | CAN | CAT | H14 | 61.7° | 59.3° |
| H13 | CAN | CAT | H15 | 58.3° | 60.7° |
| H13 | CAN | CAT | H16 | 178.3° | 179.4° |
| H14 | CAT | H15 | H16 | 120.0° | 120.0° |
| H21 | CAL | CAM | H22 | 171.1° | 179.5° |
| H22 | CAM | CAO | H23 | 174.2° | 20.6° |
| H23 | CAO | OAX | H24 | 58.1° | 59.7° |
