TA9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAK | CAQ | sing | 1.48Å | 1.40Å | |
| CAK | CAL | sing | 1.40Å | 1.40Å | Aromatic |
| CAK | CAJ | doub | 1.40Å | 1.39Å | Aromatic |
| CAQ | OBB | doub | 1.21Å | 1.24Å | |
| CAQ | CAN | sing | 1.48Å | 1.39Å | |
| CAN | CAS | sing | 1.39Å | 1.39Å | Aromatic |
| CAN | CAM | doub | 1.40Å | 1.40Å | Aromatic |
| CAS | CAH | doub | 1.39Å | 1.38Å | Aromatic |
| CAH | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | CAR | doub | 1.39Å | 1.39Å | Aromatic |
| CAR | CAM | sing | 1.39Å | 1.39Å | Aromatic |
| CAM | CAL | sing | 1.49Å | 1.39Å | Aromatic |
| CAL | CAO | doub | 1.39Å | 1.39Å | Aromatic |
| CAO | CAT | sing | 1.39Å | 1.39Å | Aromatic |
| CAT | CAP | doub | 1.38Å | 1.39Å | Aromatic |
| CAP | CAJ | sing | 1.40Å | 1.39Å | Aromatic |
| CAJ | CAI | sing | 1.48Å | 1.53Å | |
| CAI | OAZ | doub | 1.22Å | 1.23Å | |
| CAI | NAV | sing | 1.35Å | 1.34Å | |
| NAV | CAD | sing | 1.47Å | 1.47Å | |
| CAD | CAA | sing | 1.53Å | 1.54Å | |
| CAA | NAW | sing | 1.47Å | 1.48Å | |
| CAA | CAB | sing | 1.53Å | 1.54Å | |
| NAW | CAE | sing | 1.47Å | 1.47Å | |
| CAE | CAU | sing | 1.53Å | 1.53Å | |
| CAE | CAG | sing | 1.53Å | 1.55Å | |
| CAG | OAX | sing | 1.43Å | 1.45Å | |
| CAG | CAF | sing | 1.53Å | 1.50Å | |
| CAF | OAY | sing | 1.43Å | 1.44Å | |
| CAF | CAB | sing | 1.53Å | 1.50Å | |
| CAB | OBA | sing | 1.43Å | 1.46Å | |
| CAS | HAS | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAT | HAT | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| NAV | HAV | sing | 0.97Å | 1.00Å | |
| CAD | HAD1 | sing | 1.09Å | 1.10Å | |
| CAD | HAD2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| NAW | HAW | sing | 1.01Å | 1.00Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAE | HAE | sing | 1.09Å | 1.10Å | |
| CAU | HAU1 | sing | 1.09Å | 1.10Å | |
| CAU | HAU2 | sing | 1.09Å | 1.10Å | |
| CAU | HAU3 | sing | 1.09Å | 1.10Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| OAX | HAX | sing | 0.97Å | 0.95Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| OAY | HAY | sing | 0.97Å | 0.95Å | |
| OBA | HBA | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAQ | CAK | CAL | 107.0° | 107.9° |
| CAQ | CAK | CAJ | 134.3° | 132.3° |
| CAK | CAQ | OBB | 126.5° | 126.5° |
| CAK | CAQ | CAN | 108.7° | 107.1° |
| CAL | CAK | CAJ | 118.7° | 119.8° |
| CAK | CAL | CAM | 108.6° | 108.6° |
| CAK | CAL | CAO | 121.0° | 119.6° |
| CAK | CAJ | CAP | 120.1° | 119.6° |
| CAK | CAJ | CAI | 123.0° | 120.2° |
| OBB | CAQ | CAN | 124.5° | 126.4° |
| CAQ | CAN | CAS | 132.5° | 132.4° |
| CAQ | CAN | CAM | 107.3° | 107.8° |
| CAS | CAN | CAM | 120.1° | 119.9° |
| CAN | CAS | CAH | 118.0° | 119.9° |
| CAN | CAS | HAS | 121.0° | 120.1° |
| CAN | CAM | CAR | 121.2° | 119.5° |
| CAN | CAM | CAL | 108.3° | 108.7° |
| CAS | CAH | CAC | 122.4° | 120.2° |
| CAH | CAS | HAS | 121.0° | 120.0° |
| CAS | CAH | HAH | 118.8° | 119.9° |
| CAH | CAC | CAR | 119.3° | 120.4° |
| CAC | CAH | HAH | 118.8° | 119.9° |
| CAH | CAC | HAC | 120.3° | 119.8° |
| CAC | CAR | CAM | 118.9° | 120.0° |
| CAR | CAC | HAC | 120.4° | 119.8° |
| CAC | CAR | HAR | 120.6° | 120.0° |
| CAR | CAM | CAL | 130.5° | 131.8° |
| CAM | CAR | HAR | 120.6° | 120.0° |
| CAM | CAL | CAO | 130.3° | 131.8° |
| CAL | CAO | CAT | 119.8° | 120.3° |
| CAL | CAO | HAO | 120.1° | 119.8° |
| CAO | CAT | CAP | 119.5° | 120.5° |
| CAT | CAO | HAO | 120.1° | 119.8° |
| CAO | CAT | HAT | 120.3° | 119.7° |
| CAT | CAP | CAJ | 120.8° | 120.1° |
| CAP | CAT | HAT | 120.2° | 119.7° |
| CAT | CAP | HAP | 119.6° | 119.9° |
| CAP | CAJ | CAI | 116.9° | 120.2° |
| CAJ | CAP | HAP | 119.6° | 119.9° |
| CAJ | CAI | OAZ | 118.8° | 120.0° |
| CAJ | CAI | NAV | 116.0° | 120.0° |
| OAZ | CAI | NAV | 124.8° | 120.0° |
| CAI | NAV | CAD | 122.8° | 120.0° |
| CAI | NAV | HAV | 118.6° | 120.0° |
| NAV | CAD | CAA | 110.6° | 109.5° |
| CAD | NAV | HAV | 118.6° | 120.0° |
| NAV | CAD | HAD1 | 109.1° | 109.4° |
| NAV | CAD | HAD2 | 108.8° | 109.4° |
| CAD | CAA | NAW | 113.9° | 109.5° |
| CAD | CAA | CAB | 108.6° | 109.4° |
| CAA | CAD | HAD1 | 109.1° | 109.5° |
| CAA | CAD | HAD2 | 108.9° | 109.5° |
| CAD | CAA | HAA | 106.7° | 109.5° |
| NAW | CAA | CAB | 108.6° | 109.5° |
| CAA | NAW | CAE | 109.7° | 111.2° |
| NAW | CAA | HAA | 106.8° | 109.5° |
| CAA | NAW | HAW | 109.4° | 111.0° |
| CAA | CAB | CAF | 107.8° | 109.3° |
| CAA | CAB | OBA | 113.0° | 109.5° |
| CAB | CAA | HAA | 112.2° | 109.4° |
| CAA | CAB | HAB | 108.9° | 109.5° |
| NAW | CAE | CAU | 108.9° | 109.5° |
| NAW | CAE | CAG | 111.0° | 109.5° |
| CAE | NAW | HAW | 109.4° | 111.0° |
| NAW | CAE | HAE | 110.6° | 109.5° |
| CAU | CAE | CAG | 114.2° | 109.4° |
| CAU | CAE | HAE | 107.2° | 109.5° |
| CAE | CAU | HAU1 | 109.5° | 109.5° |
| CAE | CAU | HAU2 | 109.5° | 109.5° |
| CAE | CAU | HAU3 | 109.4° | 109.4° |
| CAE | CAG | OAX | 110.8° | 109.5° |
| CAE | CAG | CAF | 111.5° | 109.3° |
| CAG | CAE | HAE | 104.8° | 109.5° |
| CAE | CAG | HAG | 107.5° | 109.5° |
| OAX | CAG | CAF | 110.7° | 109.5° |
| OAX | CAG | HAG | 108.5° | 109.6° |
| CAG | OAX | HAX | 109.5° | 114.0° |
| CAG | CAF | OAY | 112.3° | 109.5° |
| CAG | CAF | CAB | 108.8° | 109.2° |
| CAF | CAG | HAG | 107.7° | 109.5° |
| CAG | CAF | HAF | 109.1° | 109.6° |
| OAY | CAF | CAB | 112.4° | 109.5° |
| OAY | CAF | HAF | 105.2° | 109.5° |
| CAF | OAY | HAY | 109.5° | 114.0° |
| CAF | CAB | OBA | 111.5° | 109.5° |
| CAF | CAB | HAB | 110.5° | 109.5° |
| CAB | CAF | HAF | 108.9° | 109.6° |
| OBA | CAB | HAB | 105.0° | 109.5° |
| CAB | OBA | HBA | 109.5° | 114.0° |
| HAD1 | CAD | HAD2 | 110.3° | 109.5° |
| HAU1 | CAU | HAU2 | 109.4° | 109.5° |
| HAU1 | CAU | HAU3 | 109.5° | 109.5° |
| HAU2 | CAU | HAU3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAQ | CAK | CAL | CAJ | 177.9° | 179.8° |
| CAK | CAQ | OBB | CAN | 173.8° | 180.0° |
| CAK | CAQ | CAN | CAS | 179.5° | 179.9° |
| CAK | CAQ | CAN | CAM | 0.0° | 0.0° |
| CAQ | CAK | CAL | CAM | 0.9° | 0.0° |
| CAQ | CAK | CAL | CAO | 178.0° | 180.0° |
| CAQ | CAK | CAJ | CAP | 177.4° | 179.9° |
| CAQ | CAK | CAJ | CAI | 2.9° | 0.0° |
| CAL | CAK | CAQ | OBB | 174.0° | 180.0° |
| CAL | CAK | CAQ | CAN | 0.5° | 0.0° |
| CAK | CAL | CAM | CAN | 0.9° | 0.1° |
| CAK | CAL | CAM | CAR | 179.2° | 179.9° |
| CAK | CAL | CAM | CAO | 178.8° | 180.0° |
| CAK | CAL | CAO | CAT | 0.0° | 0.0° |
| CAL | CAK | CAJ | CAP | 0.2° | 0.4° |
| CAL | CAK | CAJ | CAI | 179.9° | 179.7° |
| CAK | CAL | CAO | HAO | 180.0° | 179.9° |
| CAJ | CAK | CAQ | OBB | 3.4° | 0.3° |
| CAJ | CAK | CAQ | CAN | 178.0° | 179.7° |
| CAJ | CAK | CAL | CAM | 178.8° | 179.8° |
| CAJ | CAK | CAL | CAO | 0.1° | 0.2° |
| CAK | CAJ | CAP | CAT | 0.3° | 0.4° |
| CAK | CAJ | CAP | CAI | 179.7° | 179.9° |
| CAK | CAJ | CAI | OAZ | 143.9° | 0.0° |
| CAK | CAJ | CAI | NAV | 43.3° | 180.0° |
| CAK | CAJ | CAP | HAP | 179.7° | 179.8° |
| OBB | CAQ | CAN | CAS | 5.8° | 0.1° |
| OBB | CAQ | CAN | CAM | 174.7° | 180.0° |
| CAQ | CAN | CAS | CAM | 179.5° | 179.9° |
| CAQ | CAN | CAS | CAH | 179.8° | 180.0° |
| CAQ | CAN | CAM | CAR | 179.6° | 179.9° |
| CAQ | CAN | CAM | CAL | 0.6° | 0.1° |
| CAQ | CAN | CAS | HAS | 0.2° | 0.1° |
| CAN | CAS | CAH | HAS | 180.0° | 180.0° |
| CAN | CAS | CAH | CAC | 0.6° | 0.1° |
| CAS | CAN | CAM | CAR | 0.0° | 0.0° |
| CAS | CAN | CAM | CAL | 179.8° | 180.0° |
| CAN | CAS | CAH | HAH | 179.4° | 180.0° |
| CAM | CAN | CAS | CAH | 0.3° | 0.1° |
| CAN | CAM | CAR | CAC | 0.1° | 0.0° |
| CAN | CAM | CAR | CAL | 179.8° | 180.0° |
| CAN | CAM | CAL | CAO | 177.9° | 180.0° |
| CAM | CAN | CAS | HAS | 179.7° | 180.0° |
| CAN | CAM | CAR | HAR | 179.9° | 180.0° |
| CAS | CAH | CAC | HAH | 180.0° | 179.9° |
| CAS | CAH | CAC | CAR | 0.5° | 0.0° |
| CAS | CAH | CAC | HAC | 179.4° | 180.0° |
| CAH | CAC | CAR | HAC | 180.0° | 180.0° |
| CAH | CAC | CAR | CAM | 0.2° | 0.0° |
| CAC | CAH | CAS | HAS | 179.4° | 180.0° |
| CAH | CAC | CAR | HAR | 179.8° | 180.0° |
| CAC | CAR | CAM | HAR | 180.0° | 180.0° |
| CAC | CAR | CAM | CAL | 179.7° | 180.0° |
| CAR | CAC | CAH | HAH | 179.4° | 180.0° |
| CAR | CAM | CAL | CAO | 2.0° | 0.0° |
| CAM | CAR | CAC | HAC | 179.8° | 180.0° |
| CAM | CAL | CAO | CAT | 178.6° | 180.0° |
| CAL | CAM | CAR | HAR | 0.2° | 0.0° |
| CAM | CAL | CAO | HAO | 1.4° | 0.0° |
| CAL | CAO | CAT | HAO | 180.0° | 179.9° |
| CAL | CAO | CAT | CAP | 0.1° | 0.0° |
| CAL | CAO | CAT | HAT | 179.9° | 180.0° |
| CAO | CAT | CAP | HAT | 180.0° | 180.0° |
| CAO | CAT | CAP | CAJ | 0.2° | 0.2° |
| CAO | CAT | CAP | HAP | 179.8° | 180.0° |
| CAT | CAP | CAJ | HAP | 180.0° | 179.8° |
| CAT | CAP | CAJ | CAI | 179.9° | 179.8° |
| CAP | CAT | CAO | HAO | 179.9° | 179.9° |
| CAP | CAJ | CAI | OAZ | 36.4° | 179.9° |
| CAP | CAJ | CAI | NAV | 136.4° | 0.2° |
| CAJ | CAP | CAT | HAT | 179.8° | 179.8° |
| CAJ | CAI | OAZ | NAV | 172.2° | 180.0° |
| CAJ | CAI | NAV | CAD | 177.5° | 180.0° |
| CAI | CAJ | CAP | HAP | 0.1° | 0.0° |
| CAJ | CAI | NAV | HAV | 2.5° | 0.1° |
| OAZ | CAI | NAV | CAD | 5.2° | 0.0° |
| OAZ | CAI | NAV | HAV | 174.9° | 179.9° |
| CAI | NAV | CAD | HAV | 180.0° | 179.9° |
| CAI | NAV | CAD | CAA | 85.2° | 180.0° |
| CAI | NAV | CAD | HAD1 | 154.8° | 60.0° |
| CAI | NAV | CAD | HAD2 | 34.3° | 60.0° |
| NAV | CAD | CAA | HAD1 | 120.0° | 119.9° |
| NAV | CAD | CAA | HAD2 | 119.5° | 120.0° |
| NAV | CAD | CAA | NAW | 65.8° | 55.0° |
| NAV | CAD | CAA | CAB | 173.1° | 175.1° |
| NAV | CAD | HAD1 | HAD2 | 119.5° | 119.9° |
| NAV | CAD | CAA | HAA | 51.8° | 65.0° |
| CAD | CAA | NAW | CAB | 121.2° | 120.0° |
| CAD | CAA | NAW | HAA | 117.6° | 120.0° |
| CAD | CAA | CAB | HAA | 117.8° | 120.0° |
| CAD | CAA | NAW | CAE | 175.1° | 178.2° |
| CAD | CAA | CAB | CAF | 169.8° | 179.2° |
| CAD | CAA | CAB | OBA | 46.1° | 60.8° |
| CAA | CAD | NAV | HAV | 94.8° | 0.0° |
| CAA | CAD | HAD1 | HAD2 | 119.5° | 120.1° |
| CAD | CAA | NAW | HAW | 55.1° | 54.2° |
| CAD | CAA | CAB | HAB | 70.3° | 59.3° |
| NAW | CAA | CAB | HAA | 117.8° | 120.0° |
| CAA | NAW | CAE | HAW | 120.0° | 124.0° |
| CAA | NAW | CAE | CAU | 176.3° | 178.2° |
| CAA | NAW | CAE | CAG | 57.1° | 61.8° |
| NAW | CAA | CAB | CAF | 65.8° | 59.2° |
| NAW | CAA | CAB | OBA | 170.5° | 179.1° |
| NAW | CAA | CAD | HAD1 | 54.2° | 64.9° |
| NAW | CAA | CAD | HAD2 | 174.7° | 175.0° |
| NAW | CAA | CAB | HAB | 54.1° | 60.7° |
| CAA | NAW | CAE | HAE | 58.9° | 58.2° |
| CAB | CAA | NAW | CAE | 63.8° | 61.8° |
| CAA | CAB | CAF | CAG | 61.1° | 57.7° |
| CAA | CAB | CAF | OAY | 173.9° | 177.6° |
| CAA | CAB | CAF | OBA | 124.6° | 120.0° |
| CAA | CAB | CAF | HAB | 119.0° | 119.9° |
| CAA | CAB | OBA | HAB | 118.6° | 120.1° |
| CAB | CAA | CAD | HAD1 | 66.9° | 55.1° |
| CAB | CAA | CAD | HAD2 | 53.5° | 65.0° |
| CAB | CAA | NAW | HAW | 176.3° | 174.2° |
| CAA | CAB | CAF | HAF | 57.7° | 62.3° |
| CAA | CAB | OBA | HBA | 28.2° | 180.0° |
| NAW | CAE | CAU | CAG | 124.7° | 120.0° |
| NAW | CAE | CAU | HAE | 119.6° | 120.0° |
| NAW | CAE | CAG | HAE | 119.5° | 120.0° |
| NAW | CAE | CAG | OAX | 70.3° | 60.7° |
| NAW | CAE | CAG | CAF | 53.5° | 59.2° |
| CAE | NAW | CAA | HAA | 57.5° | 58.2° |
| NAW | CAE | CAU | HAU1 | 94.9° | 59.9° |
| NAW | CAE | CAU | HAU2 | 145.1° | 180.0° |
| NAW | CAE | CAU | HAU3 | 25.1° | 60.0° |
| NAW | CAE | CAG | HAG | 171.3° | 179.1° |
| CAU | CAE | CAG | HAE | 117.0° | 120.0° |
| CAU | CAE | CAG | OAX | 53.3° | 59.3° |
| CAU | CAE | CAG | CAF | 177.1° | 179.2° |
| CAU | CAE | NAW | HAW | 56.3° | 54.2° |
| CAE | CAU | HAU1 | HAU2 | 120.0° | 120.1° |
| CAE | CAU | HAU1 | HAU3 | 120.0° | 119.9° |
| CAE | CAU | HAU2 | HAU3 | 120.0° | 120.0° |
| CAU | CAE | CAG | HAG | 65.1° | 60.9° |
| CAE | CAG | OAX | CAF | 124.3° | 119.8° |
| CAE | CAG | OAX | HAG | 117.8° | 120.1° |
| CAE | CAG | CAF | HAG | 117.7° | 119.9° |
| CAE | CAG | CAF | OAY | 179.6° | 177.6° |
| CAE | CAG | CAF | CAB | 55.4° | 57.7° |
| CAG | CAE | NAW | HAW | 177.1° | 174.2° |
| CAG | CAE | CAU | HAU1 | 29.8° | 60.1° |
| CAG | CAE | CAU | HAU2 | 90.2° | 59.9° |
| CAG | CAE | CAU | HAU3 | 149.8° | 180.0° |
| CAE | CAG | OAX | HAX | 157.6° | 180.0° |
| CAE | CAG | CAF | HAF | 63.4° | 62.3° |
| OAX | CAG | CAF | HAG | 118.4° | 120.1° |
| OAX | CAG | CAF | OAY | 56.5° | 57.6° |
| OAX | CAG | CAF | CAB | 68.5° | 62.3° |
| OAX | CAG | CAE | HAE | 170.2° | 179.3° |
| OAX | CAG | CAF | HAF | 172.8° | 177.7° |
| CAG | CAF | OAY | CAB | 123.0° | 119.7° |
| CAG | CAF | OAY | HAF | 118.5° | 120.1° |
| CAG | CAF | CAB | HAF | 118.8° | 120.0° |
| CAG | CAF | CAB | OBA | 174.3° | 177.6° |
| CAG | CAF | CAB | HAB | 57.9° | 62.3° |
| CAF | CAG | CAE | HAE | 66.0° | 60.8° |
| CAF | CAG | OAX | HAX | 33.3° | 60.2° |
| CAG | CAF | OAY | HAY | 143.6° | 59.9° |
| OAY | CAF | CAB | HAF | 116.2° | 120.1° |
| OAY | CAF | CAB | OBA | 49.3° | 62.5° |
| OAY | CAF | CAB | HAB | 67.1° | 57.6° |
| OAY | CAF | CAG | HAG | 61.8° | 62.5° |
| CAF | CAB | OBA | HAB | 119.7° | 120.1° |
| CAF | CAB | CAA | HAA | 52.0° | 60.8° |
| CAB | CAF | CAG | HAG | 173.1° | 177.6° |
| CAB | CAF | OAY | HAY | 93.3° | 179.7° |
| CAF | CAB | OBA | HBA | 93.4° | 60.1° |
| OBA | CAB | CAA | HAA | 71.7° | 59.1° |
| OBA | CAB | CAF | HAF | 66.9° | 57.6° |
| HAS | CAS | CAH | HAH | 0.6° | 0.0° |
| HAH | CAH | CAC | HAC | 0.6° | 0.1° |
| HAC | CAC | CAR | HAR | 0.2° | 0.1° |
| HAO | CAO | CAT | HAT | 0.1° | 0.0° |
| HAT | CAT | CAP | HAP | 0.2° | 0.0° |
| HAV | NAV | CAD | HAD1 | 25.2° | 120.0° |
| HAV | NAV | CAD | HAD2 | 145.7° | 120.1° |
| HAD1 | CAD | CAA | HAA | 171.8° | 175.1° |
| HAD2 | CAD | CAA | HAA | 67.7° | 55.0° |
| HAA | CAA | NAW | HAW | 62.5° | 65.8° |
| HAA | CAA | CAB | HAB | 172.0° | 179.2° |
| HAW | NAW | CAE | HAE | 61.2° | 65.8° |
| HAB | CAB | CAF | HAF | 176.7° | 177.7° |
| HAB | CAB | OBA | HBA | 146.9° | 59.9° |
| HAE | CAE | CAU | HAU1 | 145.5° | 179.9° |
| HAE | CAE | CAU | HAU2 | 25.5° | 60.0° |
| HAE | CAE | CAU | HAU3 | 94.5° | 60.0° |
| HAE | CAE | CAG | HAG | 51.9° | 59.1° |
| HAU1 | CAU | HAU2 | HAU3 | 120.0° | 120.0° |
| HAG | CAG | OAX | HAX | 84.6° | 59.9° |
| HAG | CAG | CAF | HAF | 54.4° | 57.6° |
| HAF | CAF | OAY | HAY | 25.1° | 60.2° |
