HA3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAB | sing | 1.39Å | 1.39Å | Aromatic |
| CAA | CAF | doub | 1.40Å | 1.40Å | Aromatic |
| CAB | CAC | doub | 1.40Å | 1.40Å | Aromatic |
| CAC | CAD | sing | 1.40Å | 1.40Å | Aromatic |
| CAD | CAE | doub | 1.39Å | 1.39Å | Aromatic |
| CAE | CAF | sing | 1.41Å | 1.41Å | Aromatic |
| CAF | CAG | sing | 1.40Å | 1.40Å | Aromatic |
| CAG | CAH | doub | 1.34Å | 1.34Å | Aromatic |
| CAG | NAL | sing | 1.40Å | 1.40Å | Aromatic |
| CAH | NAI | sing | 1.34Å | 1.34Å | Aromatic |
| NAI | CAJ | doub | 1.33Å | 1.33Å | Aromatic |
| CAJ | CAK | sing | 1.56Å | 1.56Å | |
| CAJ | NAL | sing | 1.42Å | 1.42Å | Aromatic |
| CAK | NAO | sing | 1.48Å | 1.48Å | |
| NAL | CAM | sing | 1.46Å | 1.46Å | |
| CAM | CAN | sing | 1.50Å | 1.50Å | |
| CAN | NAO | sing | 1.47Å | 1.47Å | |
| NAO | CAP | sing | 1.33Å | 1.33Å | |
| CAP | OAQ | doub | 1.24Å | 1.24Å | |
| CAP | CAR | sing | 1.49Å | 1.49Å | |
| CAR | SAS | sing | 1.67Å | 1.67Å | Aromatic |
| CAR | CAT | doub | 1.33Å | 1.33Å | Aromatic |
| SAS | CAV | sing | 1.68Å | 1.68Å | Aromatic |
| CAT | CAU | sing | 1.35Å | 1.35Å | Aromatic |
| CAU | CAV | doub | 1.34Å | 1.34Å | Aromatic |
| CAV | CAW | sing | 1.52Å | 1.52Å | |
| CAW | OAY | doub | 1.23Å | 1.23Å | |
| CAW | NAX | sing | 1.34Å | 1.34Å | |
| NAX | OAZ | sing | 1.36Å | 1.36Å | |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAK | HAK1 | sing | 1.10Å | 1.10Å | |
| CAK | HAK2 | sing | 1.10Å | 1.10Å | |
| CAM | HAM1 | sing | 1.10Å | 1.10Å | |
| CAM | HAM2 | sing | 1.10Å | 1.10Å | |
| CAN | HAN1 | sing | 1.10Å | 1.10Å | |
| CAN | HAN2 | sing | 1.10Å | 1.10Å | |
| CAT | HAT | sing | 1.08Å | 1.08Å | |
| CAU | HAU | sing | 1.08Å | 1.08Å | |
| NAX | HAX | sing | 1.00Å | 1.00Å | |
| OAZ | HAZ | sing | 0.95Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAA | CAF | 120.8° | 120.8° |
| CAA | CAB | CAC | 120.4° | 120.4° |
| CAB | CAA | HAA | 119.6° | 119.6° |
| CAA | CAB | HAB | 119.8° | 119.8° |
| CAA | CAF | CAE | 118.5° | 118.5° |
| CAA | CAF | CAG | 119.3° | 119.3° |
| CAF | CAA | HAA | 119.6° | 119.6° |
| CAB | CAC | CAD | 119.4° | 119.4° |
| CAC | CAB | HAB | 119.8° | 119.8° |
| CAB | CAC | HAC | 120.3° | 120.3° |
| CAC | CAD | CAE | 120.1° | 120.1° |
| CAD | CAC | HAC | 120.3° | 120.3° |
| CAC | CAD | HAD | 120.0° | 120.0° |
| CAD | CAE | CAF | 120.9° | 120.9° |
| CAE | CAD | HAD | 120.0° | 120.0° |
| CAD | CAE | HAE | 119.6° | 119.6° |
| CAE | CAF | CAG | 122.2° | 122.2° |
| CAF | CAE | HAE | 119.6° | 119.6° |
| CAF | CAG | CAH | 129.8° | 129.8° |
| CAF | CAG | NAL | 123.4° | 123.4° |
| CAH | CAG | NAL | 106.7° | 106.7° |
| CAG | CAH | NAI | 109.8° | 109.8° |
| CAG | CAH | HAH | 125.1° | 125.1° |
| CAG | NAL | CAJ | 106.9° | 106.9° |
| CAG | NAL | CAM | 130.5° | 130.5° |
| CAH | NAI | CAJ | 110.6° | 110.6° |
| NAI | CAH | HAH | 125.1° | 125.1° |
| NAI | CAJ | CAK | 130.1° | 130.1° |
| NAI | CAJ | NAL | 106.0° | 106.0° |
| CAK | CAJ | NAL | 123.9° | 123.9° |
| CAJ | CAK | NAO | 104.5° | 104.5° |
| CAJ | CAK | HAK1 | 111.2° | 111.2° |
| CAJ | CAK | HAK2 | 112.2° | 112.2° |
| CAJ | NAL | CAM | 122.6° | 122.6° |
| CAK | NAO | CAN | 117.5° | 117.5° |
| CAK | NAO | CAP | 126.9° | 126.9° |
| NAO | CAK | HAK1 | 111.2° | 111.2° |
| NAO | CAK | HAK2 | 112.2° | 112.2° |
| NAL | CAM | CAN | 107.6° | 107.6° |
| NAL | CAM | HAM1 | 110.1° | 110.1° |
| NAL | CAM | HAM2 | 110.5° | 110.5° |
| CAM | CAN | NAO | 109.0° | 109.0° |
| CAN | CAM | HAM1 | 110.1° | 110.1° |
| CAN | CAM | HAM2 | 110.5° | 110.5° |
| CAM | CAN | HAN1 | 109.7° | 109.7° |
| CAM | CAN | HAN2 | 109.8° | 109.8° |
| CAN | NAO | CAP | 115.5° | 115.5° |
| NAO | CAN | HAN1 | 109.6° | 109.6° |
| NAO | CAN | HAN2 | 109.7° | 109.7° |
| NAO | CAP | OAQ | 118.2° | 118.2° |
| NAO | CAP | CAR | 125.8° | 125.8° |
| OAQ | CAP | CAR | 115.6° | 115.6° |
| CAP | CAR | SAS | 122.6° | 122.6° |
| CAP | CAR | CAT | 125.8° | 125.8° |
| SAS | CAR | CAT | 110.8° | 110.8° |
| CAR | SAS | CAV | 91.9° | 91.9° |
| CAR | CAT | CAU | 113.5° | 113.5° |
| CAR | CAT | HAT | 123.3° | 123.3° |
| SAS | CAV | CAU | 110.5° | 110.5° |
| SAS | CAV | CAW | 123.4° | 123.4° |
| CAT | CAU | CAV | 113.2° | 113.2° |
| CAU | CAT | HAT | 123.2° | 123.2° |
| CAT | CAU | HAU | 123.4° | 123.4° |
| CAU | CAV | CAW | 126.1° | 126.1° |
| CAV | CAU | HAU | 123.4° | 123.4° |
| CAV | CAW | OAY | 119.2° | 119.2° |
| CAV | CAW | NAX | 115.9° | 115.9° |
| OAY | CAW | NAX | 124.9° | 124.9° |
| CAW | NAX | OAZ | 119.0° | 119.0° |
| CAW | NAX | HAX | 120.5° | 120.5° |
| OAZ | NAX | HAX | 120.5° | 120.5° |
| NAX | OAZ | HAZ | 109.5° | 109.5° |
| HAK1 | CAK | HAK2 | 105.7° | 105.7° |
| HAM1 | CAM | HAM2 | 108.1° | 108.1° |
| HAN1 | CAN | HAN2 | 109.1° | 109.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAA | CAF | HAA | 180.0° | 180.0° |
| CAA | CAB | CAC | HAB | 180.0° | 180.0° |
| CAA | CAB | CAC | CAD | 0.6° | 0.6° |
| CAB | CAA | CAF | CAE | 0.2° | 0.2° |
| CAB | CAA | CAF | CAG | 178.6° | 178.6° |
| CAA | CAB | CAC | HAC | 179.5° | 179.5° |
| CAF | CAA | CAB | CAC | 0.3° | 0.3° |
| CAA | CAF | CAE | CAD | 0.5° | 0.5° |
| CAA | CAF | CAE | CAG | 178.4° | 178.4° |
| CAA | CAF | CAG | CAH | 24.8° | 24.8° |
| CAA | CAF | CAG | NAL | 152.4° | 152.4° |
| CAF | CAA | CAB | HAB | 179.6° | 179.7° |
| CAA | CAF | CAE | HAE | 179.5° | 179.5° |
| CAB | CAC | CAD | HAC | 180.0° | 180.0° |
| CAB | CAC | CAD | CAE | 0.3° | 0.3° |
| CAC | CAB | CAA | HAA | 179.7° | 179.7° |
| CAB | CAC | CAD | HAD | 179.8° | 179.8° |
| CAC | CAD | CAE | HAD | 180.0° | 180.0° |
| CAC | CAD | CAE | CAF | 0.3° | 0.3° |
| CAD | CAC | CAB | HAB | 179.4° | 179.5° |
| CAC | CAD | CAE | HAE | 179.7° | 179.7° |
| CAD | CAE | CAF | HAE | 180.0° | 180.0° |
| CAD | CAE | CAF | CAG | 178.9° | 178.9° |
| CAE | CAD | CAC | HAC | 179.8° | 179.8° |
| CAE | CAF | CAG | CAH | 156.8° | 156.8° |
| CAE | CAF | CAG | NAL | 25.9° | 25.9° |
| CAE | CAF | CAA | HAA | 179.8° | 179.8° |
| CAF | CAE | CAD | HAD | 179.7° | 179.7° |
| CAF | CAG | CAH | NAL | 177.6° | 177.6° |
| CAF | CAG | CAH | NAI | 178.3° | 178.3° |
| CAF | CAG | NAL | CAJ | 178.4° | 178.4° |
| CAF | CAG | NAL | CAM | 1.8° | 1.8° |
| CAG | CAF | CAA | HAA | 1.4° | 1.4° |
| CAG | CAF | CAE | HAE | 1.1° | 1.1° |
| CAF | CAG | CAH | HAH | 1.6° | 1.6° |
| CAG | CAH | NAI | HAH | 180.0° | 180.0° |
| CAG | CAH | NAI | CAJ | 0.5° | 0.5° |
| CAH | CAG | NAL | CAJ | 0.6° | 0.6° |
| CAH | CAG | NAL | CAM | 179.6° | 179.6° |
| NAL | CAG | CAH | NAI | 0.7° | 0.7° |
| CAG | NAL | CAJ | NAI | 0.3° | 0.3° |
| CAG | NAL | CAJ | CAK | 179.7° | 179.7° |
| CAG | NAL | CAJ | CAM | 179.8° | 179.8° |
| CAG | NAL | CAM | CAN | 156.2° | 156.2° |
| NAL | CAG | CAH | HAH | 179.2° | 179.2° |
| CAG | NAL | CAM | HAM1 | 83.8° | 83.8° |
| CAG | NAL | CAM | HAM2 | 35.4° | 35.4° |
| CAH | NAI | CAJ | CAK | 179.8° | 179.8° |
| CAH | NAI | CAJ | NAL | 0.1° | 0.1° |
| NAI | CAJ | CAK | NAL | 179.9° | 179.9° |
| NAI | CAJ | CAK | NAO | 173.1° | 173.1° |
| NAI | CAJ | NAL | CAM | 179.9° | 179.9° |
| CAJ | NAI | CAH | HAH | 179.4° | 179.4° |
| NAI | CAJ | CAK | HAK1 | 66.8° | 66.8° |
| NAI | CAJ | CAK | HAK2 | 51.3° | 51.3° |
| CAJ | CAK | NAO | HAK1 | 120.0° | 120.0° |
| CAJ | CAK | NAO | HAK2 | 121.8° | 121.9° |
| CAK | CAJ | NAL | CAM | 0.1° | 0.1° |
| CAJ | CAK | NAO | CAN | 42.1° | 42.1° |
| CAJ | CAK | NAO | CAP | 132.4° | 132.4° |
| CAJ | CAK | HAK1 | HAK2 | 122.0° | 122.0° |
| NAL | CAJ | CAK | NAO | 6.9° | 6.9° |
| CAJ | NAL | CAM | CAN | 24.1° | 24.1° |
| NAL | CAJ | CAK | HAK1 | 113.1° | 113.1° |
| NAL | CAJ | CAK | HAK2 | 128.8° | 128.8° |
| CAJ | NAL | CAM | HAM1 | 95.9° | 95.9° |
| CAJ | NAL | CAM | HAM2 | 144.8° | 144.8° |
| CAK | NAO | CAN | CAM | 71.4° | 71.4° |
| CAK | NAO | CAN | CAP | 175.1° | 175.1° |
| CAK | NAO | CAP | OAQ | 177.4° | 177.4° |
| CAK | NAO | CAP | CAR | 9.6° | 9.6° |
| NAO | CAK | HAK1 | HAK2 | 122.0° | 122.0° |
| CAK | NAO | CAN | HAN1 | 168.6° | 168.6° |
| CAK | NAO | CAN | HAN2 | 48.8° | 48.8° |
| NAL | CAM | CAN | HAM1 | 120.0° | 120.0° |
| NAL | CAM | CAN | HAM2 | 120.7° | 120.7° |
| NAL | CAM | CAN | NAO | 55.3° | 55.3° |
| NAL | CAM | HAM1 | HAM2 | 120.7° | 120.7° |
| NAL | CAM | CAN | HAN1 | 175.3° | 175.3° |
| NAL | CAM | CAN | HAN2 | 64.9° | 64.9° |
| CAM | CAN | NAO | HAN1 | 120.0° | 120.0° |
| CAM | CAN | NAO | HAN2 | 120.2° | 120.2° |
| CAM | CAN | NAO | CAP | 103.7° | 103.7° |
| CAN | CAM | HAM1 | HAM2 | 120.8° | 120.8° |
| CAM | CAN | HAN1 | HAN2 | 120.2° | 120.2° |
| CAN | NAO | CAP | OAQ | 2.8° | 2.8° |
| CAN | NAO | CAP | CAR | 175.9° | 175.9° |
| CAN | NAO | CAK | HAK1 | 77.9° | 77.9° |
| CAN | NAO | CAK | HAK2 | 163.9° | 164.0° |
| NAO | CAN | CAM | HAM1 | 64.7° | 64.7° |
| NAO | CAN | CAM | HAM2 | 176.0° | 176.0° |
| NAO | CAN | HAN1 | HAN2 | 120.2° | 120.2° |
| NAO | CAP | OAQ | CAR | 173.8° | 173.8° |
| NAO | CAP | CAR | SAS | 155.1° | 155.1° |
| NAO | CAP | CAR | CAT | 36.3° | 36.3° |
| CAP | NAO | CAK | HAK1 | 107.6° | 107.6° |
| CAP | NAO | CAK | HAK2 | 10.6° | 10.5° |
| CAP | NAO | CAN | HAN1 | 16.3° | 16.3° |
| CAP | NAO | CAN | HAN2 | 136.1° | 136.1° |
| OAQ | CAP | CAR | SAS | 31.7° | 31.7° |
| OAQ | CAP | CAR | CAT | 136.9° | 136.9° |
| CAP | CAR | SAS | CAT | 170.1° | 170.1° |
| CAP | CAR | SAS | CAV | 173.8° | 173.8° |
| CAP | CAR | CAT | CAU | 173.7° | 173.7° |
| CAP | CAR | CAT | HAT | 6.3° | 6.3° |
| SAS | CAR | CAT | CAU | 3.9° | 3.9° |
| CAR | SAS | CAV | CAU | 2.5° | 2.5° |
| CAR | SAS | CAV | CAW | 178.5° | 178.5° |
| SAS | CAR | CAT | HAT | 176.1° | 176.1° |
| CAT | CAR | SAS | CAV | 3.7° | 3.7° |
| CAR | CAT | CAU | HAT | 180.0° | 180.0° |
| CAR | CAT | CAU | CAV | 2.1° | 2.1° |
| CAR | CAT | CAU | HAU | 178.0° | 178.0° |
| SAS | CAV | CAU | CAT | 0.8° | 0.8° |
| SAS | CAV | CAU | CAW | 178.9° | 178.9° |
| SAS | CAV | CAW | OAY | 13.0° | 13.0° |
| SAS | CAV | CAW | NAX | 168.2° | 168.2° |
| SAS | CAV | CAU | HAU | 179.2° | 179.2° |
| CAT | CAU | CAV | HAU | 180.0° | 180.0° |
| CAT | CAU | CAV | CAW | 179.7° | 179.7° |
| CAU | CAV | CAW | OAY | 165.8° | 165.8° |
| CAU | CAV | CAW | NAX | 13.0° | 13.0° |
| CAV | CAU | CAT | HAT | 177.9° | 177.9° |
| CAV | CAW | OAY | NAX | 178.7° | 178.7° |
| CAV | CAW | NAX | OAZ | 180.0° | 180.0° |
| CAW | CAV | CAU | HAU | 0.3° | 0.3° |
| CAV | CAW | NAX | HAX | 0.0° | 0.0° |
| OAY | CAW | NAX | OAZ | 1.3° | 1.3° |
| OAY | CAW | NAX | HAX | 178.7° | 178.7° |
| CAW | NAX | OAZ | HAX | 180.0° | 180.0° |
| CAW | NAX | OAZ | HAZ | 4.9° | 4.9° |
| HAA | CAA | CAB | HAB | 0.4° | 0.3° |
| HAB | CAB | CAC | HAC | 0.6° | 0.5° |
| HAC | CAC | CAD | HAD | 0.2° | 0.2° |
| HAD | CAD | CAE | HAE | 0.3° | 0.3° |
| HAM1 | CAM | CAN | HAN1 | 55.3° | 55.3° |
| HAM1 | CAM | CAN | HAN2 | 175.1° | 175.1° |
| HAM2 | CAM | CAN | HAN1 | 64.0° | 64.0° |
| HAM2 | CAM | CAN | HAN2 | 55.8° | 55.8° |
| HAT | CAT | CAU | HAU | 2.1° | 2.1° |
| HAX | NAX | OAZ | HAZ | 175.1° | 175.1° |
