8T8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR | CAS | sing | 1.89Å | 1.90Å | |
| CAS | CAF | doub | 1.38Å | 1.38Å | Aromatic |
| CAS | CAE | sing | 1.38Å | 1.38Å | Aromatic |
| CAF | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAI | doub | 1.37Å | 1.38Å | Aromatic |
| CAJ | CAY | sing | 1.40Å | 1.41Å | Aromatic |
| CAM | CAL | sing | 1.53Å | 1.53Å | |
| CAM | CAV | sing | 1.51Å | 1.47Å | |
| CAI | CAU | sing | 1.39Å | 1.41Å | Aromatic |
| CAH | CAT | doub | 1.38Å | 1.40Å | Aromatic |
| CAY | CAV | sing | 1.46Å | 1.44Å | Aromatic |
| CAY | CAX | doub | 1.41Å | 1.43Å | Aromatic |
| CAL | CAN | sing | 1.53Å | 1.55Å | |
| CAG | CAT | sing | 1.38Å | 1.39Å | Aromatic |
| CAV | CAW | doub | 1.35Å | 1.37Å | Aromatic |
| CAT | CAO | sing | 1.51Å | 1.51Å | |
| CAU | OAR | sing | 1.36Å | 1.39Å | |
| CAU | CAK | doub | 1.38Å | 1.38Å | Aromatic |
| FAA | CBA | sing | 1.40Å | 1.33Å | |
| OAR | CBA | sing | 1.43Å | 1.38Å | |
| CAN | CAZ | sing | 1.53Å | 1.56Å | |
| CAX | CAK | sing | 1.39Å | 1.41Å | Aromatic |
| CAX | NAQ | sing | 1.38Å | 1.40Å | Aromatic |
| CAW | CAZ | sing | 1.51Å | 1.53Å | |
| CAW | NAQ | sing | 1.37Å | 1.38Å | Aromatic |
| CBA | FAB | sing | 1.40Å | 1.33Å | |
| CBA | FAC | sing | 1.40Å | 1.33Å | |
| CAO | NAP | sing | 1.47Å | 1.48Å | |
| CAZ | NAP | sing | 1.47Å | 1.46Å | |
| CAK | H1 | sing | 1.08Å | 1.08Å | |
| CAI | H2 | sing | 1.08Å | 1.08Å | |
| CAJ | H3 | sing | 1.08Å | 1.08Å | |
| NAQ | H4 | sing | 0.97Å | 1.00Å | |
| CAM | H5 | sing | 1.09Å | 1.10Å | |
| CAM | H6 | sing | 1.09Å | 1.10Å | |
| CAL | H7 | sing | 1.09Å | 1.10Å | |
| CAL | H8 | sing | 1.09Å | 1.10Å | |
| CAN | H9 | sing | 1.09Å | 1.10Å | |
| CAN | H10 | sing | 1.09Å | 1.10Å | |
| CAZ | H11 | sing | 1.09Å | 1.10Å | |
| NAP | H12 | sing | 1.01Å | 1.00Å | |
| CAO | H14 | sing | 1.09Å | 1.10Å | |
| CAO | H15 | sing | 1.09Å | 1.10Å | |
| CAG | H16 | sing | 1.08Å | 1.08Å | |
| CAE | H17 | sing | 1.08Å | 1.08Å | |
| CAF | H18 | sing | 1.08Å | 1.08Å | |
| CAH | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR | CAS | CAF | 119.7° | 120.0° |
| BR | CAS | CAE | 118.3° | 120.0° |
| CAF | CAS | CAE | 122.0° | 120.0° |
| CAS | CAF | CAH | 118.3° | 120.0° |
| CAS | CAF | H18 | 120.8° | 120.0° |
| CAS | CAE | CAG | 118.8° | 120.0° |
| CAS | CAE | H17 | 120.6° | 120.0° |
| CAF | CAH | CAT | 121.6° | 120.0° |
| CAH | CAF | H18 | 120.8° | 120.0° |
| CAF | CAH | H19 | 119.2° | 120.0° |
| CAE | CAG | CAT | 121.3° | 120.0° |
| CAE | CAG | H16 | 119.3° | 120.0° |
| CAG | CAE | H17 | 120.6° | 119.9° |
| CAI | CAJ | CAY | 121.3° | 119.9° |
| CAJ | CAI | CAU | 119.8° | 120.5° |
| CAJ | CAI | H2 | 120.1° | 119.7° |
| CAI | CAJ | H3 | 119.3° | 120.0° |
| CAJ | CAY | CAV | 136.6° | 134.3° |
| CAJ | CAY | CAX | 117.2° | 119.9° |
| CAY | CAJ | H3 | 119.3° | 120.0° |
| CAL | CAM | CAV | 107.2° | 108.5° |
| CAM | CAL | CAN | 111.8° | 109.4° |
| CAL | CAM | H5 | 110.1° | 109.6° |
| CAL | CAM | H6 | 110.0° | 109.7° |
| CAM | CAL | H7 | 108.8° | 109.5° |
| CAM | CAL | H8 | 108.9° | 109.5° |
| CAM | CAV | CAY | 132.5° | 127.9° |
| CAM | CAV | CAW | 120.0° | 124.7° |
| CAV | CAM | H5 | 110.1° | 109.6° |
| CAV | CAM | H6 | 110.1° | 109.7° |
| CAI | CAU | OAR | 118.8° | 119.8° |
| CAI | CAU | CAK | 121.6° | 120.5° |
| CAU | CAI | H2 | 120.1° | 119.8° |
| CAH | CAT | CAG | 117.9° | 120.0° |
| CAH | CAT | CAO | 120.8° | 120.0° |
| CAT | CAH | H19 | 119.2° | 120.0° |
| CAV | CAY | CAX | 106.2° | 105.8° |
| CAY | CAV | CAW | 107.5° | 107.4° |
| CAY | CAX | CAK | 122.4° | 119.4° |
| CAY | CAX | NAQ | 107.6° | 107.2° |
| CAL | CAN | CAZ | 115.5° | 109.3° |
| CAN | CAL | H7 | 108.9° | 109.5° |
| CAN | CAL | H8 | 108.9° | 109.5° |
| CAL | CAN | H9 | 108.0° | 109.4° |
| CAL | CAN | H10 | 107.9° | 109.5° |
| CAG | CAT | CAO | 121.3° | 120.0° |
| CAT | CAG | H16 | 119.4° | 120.0° |
| CAV | CAW | CAZ | 123.9° | 123.7° |
| CAV | CAW | NAQ | 110.3° | 109.5° |
| CAT | CAO | NAP | 113.7° | 109.5° |
| CAT | CAO | H14 | 108.4° | 109.5° |
| CAT | CAO | H15 | 108.4° | 109.5° |
| OAR | CAU | CAK | 119.6° | 119.8° |
| CAU | OAR | CBA | 121.1° | 117.0° |
| CAU | CAK | CAX | 117.6° | 119.8° |
| CAU | CAK | H1 | 121.2° | 120.1° |
| FAA | CBA | OAR | 110.2° | 109.5° |
| FAA | CBA | FAB | 107.3° | 109.4° |
| FAA | CBA | FAC | 107.8° | 109.5° |
| OAR | CBA | FAB | 108.2° | 109.4° |
| OAR | CBA | FAC | 115.2° | 109.5° |
| CAN | CAZ | CAW | 111.6° | 108.5° |
| CAN | CAZ | NAP | 107.7° | 109.3° |
| CAZ | CAN | H9 | 108.0° | 109.6° |
| CAZ | CAN | H10 | 107.9° | 109.4° |
| CAN | CAZ | H11 | 105.3° | 110.0° |
| CAK | CAX | NAQ | 130.0° | 133.4° |
| CAX | CAK | H1 | 121.2° | 120.1° |
| CAX | NAQ | CAW | 108.4° | 109.9° |
| CAX | NAQ | H4 | 125.8° | 125.0° |
| CAZ | CAW | NAQ | 125.7° | 126.8° |
| CAW | CAZ | NAP | 119.4° | 109.7° |
| CAW | CAZ | H11 | 105.6° | 109.7° |
| CAW | NAQ | H4 | 125.8° | 125.0° |
| FAB | CBA | FAC | 107.7° | 109.5° |
| CAO | NAP | CAZ | 114.5° | 111.0° |
| CAO | NAP | H12 | 108.2° | 111.0° |
| NAP | CAO | H14 | 108.4° | 109.5° |
| NAP | CAO | H15 | 108.4° | 109.5° |
| NAP | CAZ | H11 | 106.3° | 109.8° |
| CAZ | NAP | H12 | 108.2° | 111.0° |
| H5 | CAM | H6 | 109.5° | 109.8° |
| H7 | CAL | H8 | 109.5° | 109.5° |
| H9 | CAN | H10 | 109.5° | 109.5° |
| H14 | CAO | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR | CAS | CAF | CAE | 180.0° | 179.7° |
| BR | CAS | CAF | CAH | 179.9° | 180.0° |
| BR | CAS | CAE | CAG | 180.0° | 179.7° |
| BR | CAS | CAE | H17 | 0.1° | 0.3° |
| BR | CAS | CAF | H18 | 0.1° | 0.2° |
| CAS | CAF | CAH | H18 | 180.0° | 179.8° |
| CAF | CAS | CAE | CAG | 0.0° | 0.0° |
| CAS | CAF | CAH | CAT | 0.2° | 0.5° |
| CAF | CAS | CAE | H17 | 180.0° | 180.0° |
| CAS | CAF | CAH | H19 | 179.8° | 179.9° |
| CAE | CAS | CAF | CAH | 0.1° | 0.3° |
| CAS | CAE | CAG | H17 | 180.0° | 180.0° |
| CAS | CAE | CAG | CAT | 0.1° | 0.0° |
| CAS | CAE | CAG | H16 | 179.9° | 180.0° |
| CAE | CAS | CAF | H18 | 179.9° | 180.0° |
| CAF | CAH | CAT | H19 | 180.0° | 179.6° |
| CAF | CAH | CAT | CAG | 0.2° | 0.5° |
| CAF | CAH | CAT | CAO | 179.9° | 179.7° |
| CAE | CAG | CAT | CAH | 0.2° | 0.3° |
| CAE | CAG | CAT | H16 | 180.0° | 180.0° |
| CAE | CAG | CAT | CAO | 179.9° | 180.0° |
| CAI | CAJ | CAY | H3 | 180.0° | 180.0° |
| CAJ | CAI | CAU | H2 | 180.0° | 180.0° |
| CAI | CAJ | CAY | CAV | 179.6° | 179.9° |
| CAI | CAJ | CAY | CAX | 0.0° | 0.2° |
| CAJ | CAI | CAU | OAR | 179.5° | 179.9° |
| CAJ | CAI | CAU | CAK | 0.3° | 0.3° |
| CAJ | CAY | CAV | CAM | 0.9° | 0.1° |
| CAY | CAJ | CAI | CAU | 0.1° | 0.0° |
| CAJ | CAY | CAV | CAX | 179.7° | 179.7° |
| CAJ | CAY | CAV | CAW | 179.8° | 179.9° |
| CAJ | CAY | CAX | CAK | 0.1° | 0.2° |
| CAJ | CAY | CAX | NAQ | 179.8° | 180.0° |
| CAY | CAJ | CAI | H2 | 179.9° | 180.0° |
| CAL | CAM | CAV | H5 | 119.7° | 119.7° |
| CAL | CAM | CAV | H6 | 119.6° | 119.7° |
| CAL | CAM | CAV | CAY | 137.2° | 163.6° |
| CAM | CAL | CAN | H7 | 120.3° | 120.0° |
| CAM | CAL | CAN | H8 | 120.4° | 120.0° |
| CAL | CAM | CAV | CAW | 41.5° | 16.1° |
| CAM | CAL | CAN | CAZ | 41.3° | 70.1° |
| CAL | CAM | H5 | H6 | 121.0° | 120.5° |
| CAM | CAL | H7 | H8 | 118.9° | 120.1° |
| CAM | CAL | CAN | H9 | 79.6° | 50.0° |
| CAM | CAL | CAN | H10 | 162.1° | 170.0° |
| CAM | CAV | CAY | CAW | 178.8° | 179.8° |
| CAM | CAV | CAY | CAX | 179.4° | 179.9° |
| CAV | CAM | CAL | CAN | 61.6° | 49.4° |
| CAM | CAV | CAW | CAZ | 1.3° | 0.1° |
| CAM | CAV | CAW | NAQ | 179.5° | 179.9° |
| CAV | CAM | H5 | H6 | 121.1° | 120.5° |
| CAV | CAM | CAL | H7 | 178.0° | 169.4° |
| CAV | CAM | CAL | H8 | 58.7° | 70.5° |
| CAI | CAU | OAR | CAK | 179.2° | 179.7° |
| CAI | CAU | OAR | CBA | 100.2° | 0.2° |
| CAI | CAU | CAK | CAX | 0.4° | 0.3° |
| CAI | CAU | CAK | H1 | 179.6° | 179.7° |
| CAU | CAI | CAJ | H3 | 179.8° | 180.0° |
| CAH | CAT | CAG | CAO | 179.7° | 179.8° |
| CAH | CAT | CAO | NAP | 128.7° | 90.3° |
| CAH | CAT | CAO | H14 | 8.0° | 149.8° |
| CAH | CAT | CAO | H15 | 110.7° | 29.7° |
| CAH | CAT | CAG | H16 | 179.8° | 179.8° |
| CAT | CAH | CAF | H18 | 179.8° | 179.7° |
| CAV | CAY | CAX | CAK | 179.7° | 180.0° |
| CAV | CAY | CAX | NAQ | 0.4° | 0.3° |
| CAY | CAV | CAW | CAZ | 179.7° | 179.9° |
| CAY | CAV | CAW | NAQ | 0.5° | 0.3° |
| CAV | CAY | CAJ | H3 | 0.4° | 0.1° |
| CAY | CAV | CAM | H5 | 17.6° | 76.7° |
| CAY | CAV | CAM | H6 | 103.1° | 43.9° |
| CAX | CAY | CAV | CAW | 0.6° | 0.4° |
| CAY | CAX | CAK | CAU | 0.2° | 0.1° |
| CAY | CAX | CAK | NAQ | 179.9° | 179.7° |
| CAY | CAX | NAQ | CAW | 0.1° | 0.1° |
| CAY | CAX | CAK | H1 | 179.8° | 180.0° |
| CAX | CAY | CAJ | H3 | 180.0° | 179.8° |
| CAY | CAX | NAQ | H4 | 179.8° | 179.9° |
| CAL | CAN | CAZ | H9 | 120.9° | 120.0° |
| CAL | CAN | CAZ | H10 | 120.8° | 119.9° |
| CAL | CAN | CAZ | CAW | 0.4° | 50.5° |
| CAL | CAN | CAZ | NAP | 132.5° | 170.0° |
| CAN | CAL | CAM | H5 | 178.7° | 70.2° |
| CAN | CAL | CAM | H6 | 58.0° | 169.2° |
| CAN | CAL | H7 | H8 | 118.9° | 120.1° |
| CAL | CAN | H9 | H10 | 117.3° | 120.0° |
| CAL | CAN | CAZ | H11 | 114.4° | 69.4° |
| CAG | CAT | CAO | NAP | 51.0° | 90.0° |
| CAG | CAT | CAO | H14 | 171.7° | 30.0° |
| CAG | CAT | CAO | H15 | 69.6° | 150.0° |
| CAT | CAG | CAE | H17 | 179.9° | 180.0° |
| CAG | CAT | CAH | H19 | 179.7° | 179.9° |
| CAV | CAW | CAZ | CAN | 23.5° | 17.1° |
| CAV | CAW | NAQ | CAX | 0.2° | 0.2° |
| CAV | CAW | CAZ | NAQ | 179.1° | 179.7° |
| CAV | CAW | CAZ | NAP | 103.3° | 136.4° |
| CAV | CAW | NAQ | H4 | 179.8° | 179.9° |
| CAW | CAV | CAM | H5 | 161.1° | 103.5° |
| CAW | CAV | CAM | H6 | 78.1° | 135.9° |
| CAV | CAW | CAZ | H11 | 137.3° | 103.0° |
| CAT | CAO | NAP | H14 | 120.6° | 120.0° |
| CAT | CAO | NAP | H15 | 120.6° | 120.0° |
| CAT | CAO | NAP | CAZ | 116.4° | 180.0° |
| CAT | CAO | NAP | H12 | 122.9° | 56.0° |
| CAT | CAO | H14 | H15 | 118.1° | 120.0° |
| CAO | CAT | CAG | H16 | 0.1° | 0.0° |
| CAO | CAT | CAH | H19 | 0.0° | 0.2° |
| CAU | OAR | CBA | FAA | 88.3° | 59.9° |
| OAR | CAU | CAK | CAX | 179.5° | 180.0° |
| CAU | OAR | CBA | FAB | 154.6° | 60.0° |
| CAU | OAR | CBA | FAC | 34.0° | 180.0° |
| OAR | CAU | CAK | H1 | 0.5° | 0.1° |
| OAR | CAU | CAI | H2 | 0.5° | 0.0° |
| CAK | CAU | OAR | CBA | 80.6° | 179.9° |
| CAU | CAK | CAX | H1 | 180.0° | 180.0° |
| CAU | CAK | CAX | NAQ | 179.6° | 179.6° |
| CAK | CAU | CAI | H2 | 179.7° | 179.7° |
| FAA | CBA | OAR | FAB | 117.1° | 119.9° |
| FAA | CBA | OAR | FAC | 122.3° | 120.1° |
| FAA | CBA | FAB | FAC | 115.9° | 120.0° |
| OAR | CBA | FAB | FAC | 125.2° | 120.0° |
| CAN | CAZ | CAW | NAP | 126.7° | 119.3° |
| CAN | CAZ | CAW | H11 | 113.9° | 120.1° |
| CAN | CAZ | CAW | NAQ | 157.5° | 162.6° |
| CAN | CAZ | NAP | CAO | 137.5° | 86.2° |
| CAN | CAZ | NAP | H11 | 112.4° | 120.7° |
| CAZ | CAN | CAL | H7 | 161.6° | 170.0° |
| CAZ | CAN | CAL | H8 | 79.1° | 49.9° |
| CAZ | CAN | H9 | H10 | 117.3° | 120.1° |
| CAN | CAZ | NAP | H12 | 101.8° | 37.8° |
| CAK | CAX | NAQ | CAW | 180.0° | 179.8° |
| CAK | CAX | NAQ | H4 | 0.1° | 0.2° |
| CAX | NAQ | CAW | CAZ | 179.4° | 179.9° |
| CAX | NAQ | CAW | H4 | 180.0° | 180.0° |
| NAQ | CAX | CAK | H1 | 0.4° | 0.3° |
| CAW | CAZ | NAP | CAO | 9.0° | 155.0° |
| CAW | CAZ | NAP | H11 | 119.0° | 120.5° |
| CAZ | CAW | NAQ | H4 | 0.7° | 0.1° |
| CAW | CAZ | CAN | H9 | 121.3° | 69.5° |
| CAW | CAZ | CAN | H10 | 120.4° | 170.4° |
| CAW | CAZ | NAP | H12 | 129.7° | 81.0° |
| NAQ | CAW | CAZ | NAP | 75.8° | 43.3° |
| NAQ | CAW | CAZ | H11 | 43.6° | 77.3° |
| CAO | NAP | CAZ | H12 | 120.7° | 124.0° |
| CAO | NAP | CAZ | H11 | 110.1° | 34.4° |
| NAP | CAO | H14 | H15 | 118.0° | 120.0° |
| NAP | CAZ | CAN | H9 | 11.6° | 50.0° |
| NAP | CAZ | CAN | H10 | 106.7° | 70.1° |
| CAZ | NAP | CAO | H14 | 4.3° | 60.0° |
| CAZ | NAP | CAO | H15 | 123.0° | 60.0° |
| H2 | CAI | CAJ | H3 | 0.1° | 0.0° |
| H5 | CAM | CAL | H7 | 58.4° | 49.7° |
| H5 | CAM | CAL | H8 | 60.9° | 169.8° |
| H6 | CAM | CAL | H7 | 62.4° | 70.9° |
| H6 | CAM | CAL | H8 | 178.4° | 49.2° |
| H7 | CAL | CAN | H9 | 40.7° | 70.0° |
| H7 | CAL | CAN | H10 | 77.6° | 50.1° |
| H8 | CAL | CAN | H9 | 160.0° | 170.0° |
| H8 | CAL | CAN | H10 | 41.7° | 70.0° |
| H9 | CAN | CAZ | H11 | 124.7° | 170.6° |
| H10 | CAN | CAZ | H11 | 6.4° | 50.5° |
| H11 | CAZ | NAP | H12 | 10.7° | 158.4° |
| H12 | NAP | CAO | H14 | 116.5° | 64.0° |
| H12 | NAP | CAO | H15 | 2.2° | 176.0° |
| H16 | CAG | CAE | H17 | 0.1° | 0.0° |
| H18 | CAF | CAH | H19 | 0.2° | 0.2° |
