A9Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAP | doub | 1.22Å | 1.22Å | |
| CAG | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAJ | sing | 1.38Å | 1.38Å | Aromatic |
| CAK | CAX | doub | 1.40Å | 1.33Å | Aromatic |
| CAP | CAR | sing | 1.47Å | 1.33Å | |
| CAP | OAO | sing | 1.34Å | 1.35Å | |
| CAH | CAR | doub | 1.40Å | 1.33Å | Aromatic |
| CAH | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAW | doub | 1.39Å | 1.33Å | Aromatic |
| CAX | CAW | sing | 1.41Å | 1.34Å | Aromatic |
| CAX | NAN | sing | 1.36Å | 1.34Å | Aromatic |
| CAR | CAT | sing | 1.40Å | 1.33Å | Aromatic |
| CAW | NAL | sing | 1.38Å | 1.32Å | Aromatic |
| NAN | CAU | doub | 1.31Å | 1.33Å | Aromatic |
| OAC | CAS | sing | 1.36Å | 1.36Å | |
| CAD | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| OAO | CAY | sing | 1.45Å | 1.43Å | |
| NAL | CAU | sing | 1.37Å | 1.32Å | Aromatic |
| CAU | NAZ | sing | 1.39Å | 1.32Å | |
| CAS | NAZ | sing | 1.36Å | 1.33Å | Aromatic |
| CAS | CAV | doub | 1.36Å | 1.32Å | Aromatic |
| NAZ | NAM | sing | 1.40Å | 1.14Å | Aromatic |
| CAT | CAY | sing | 1.51Å | 1.43Å | |
| CAT | CAI | doub | 1.37Å | 1.34Å | Aromatic |
| CAV | CAY | sing | 1.51Å | 1.42Å | |
| CAV | CAQ | sing | 1.40Å | 1.34Å | Aromatic |
| CAE | CAI | sing | 1.39Å | 1.39Å | Aromatic |
| NAM | CAQ | doub | 1.31Å | 1.32Å | Aromatic |
| CAQ | CAA | sing | 1.51Å | 1.53Å | |
| CAH | H1 | sing | 1.08Å | 1.08Å | |
| CAD | H2 | sing | 1.08Å | 1.08Å | |
| CAE | H3 | sing | 1.08Å | 1.08Å | |
| CAI | H4 | sing | 1.08Å | 1.08Å | |
| CAY | H5 | sing | 1.09Å | 1.10Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| CAA | H9 | sing | 1.09Å | 1.10Å | |
| NAL | H10 | sing | 0.97Å | 1.00Å | |
| CAJ | H11 | sing | 1.08Å | 1.08Å | |
| CAF | H12 | sing | 1.08Å | 1.08Å | |
| CAG | H13 | sing | 1.08Å | 1.08Å | |
| CAK | H14 | sing | 1.08Å | 1.08Å | |
| OAC | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAP | CAR | 121.8° | 124.9° |
| OAB | CAP | OAO | 123.6° | 124.8° |
| CAF | CAG | CAK | 119.3° | 120.5° |
| CAG | CAF | CAJ | 118.2° | 120.5° |
| CAG | CAF | H12 | 120.9° | 119.7° |
| CAF | CAG | H13 | 120.4° | 119.8° |
| CAG | CAK | CAX | 120.1° | 119.8° |
| CAK | CAG | H13 | 120.4° | 119.7° |
| CAG | CAK | H14 | 120.0° | 120.1° |
| CAF | CAJ | CAW | 120.1° | 119.8° |
| CAF | CAJ | H11 | 120.0° | 120.1° |
| CAJ | CAF | H12 | 120.9° | 119.8° |
| CAK | CAX | CAW | 120.4° | 119.4° |
| CAK | CAX | NAN | 130.9° | 133.5° |
| CAX | CAK | H14 | 120.0° | 120.1° |
| CAR | CAP | OAO | 114.2° | 110.3° |
| CAP | CAR | CAH | 132.1° | 132.6° |
| CAP | CAR | CAT | 106.7° | 108.0° |
| CAP | OAO | CAY | 101.9° | 109.0° |
| CAR | CAH | CAD | 121.7° | 119.8° |
| CAH | CAR | CAT | 121.2° | 119.4° |
| CAR | CAH | H1 | 119.1° | 120.1° |
| CAH | CAD | CAE | 117.7° | 120.3° |
| CAD | CAH | H1 | 119.1° | 120.1° |
| CAH | CAD | H2 | 121.2° | 119.9° |
| CAJ | CAW | CAX | 122.0° | 120.0° |
| CAJ | CAW | NAL | 129.9° | 133.9° |
| CAW | CAJ | H11 | 120.0° | 120.1° |
| CAW | CAX | NAN | 108.6° | 107.1° |
| CAX | CAW | NAL | 108.1° | 106.1° |
| CAX | NAN | CAU | 105.5° | 109.6° |
| CAR | CAT | CAY | 108.2° | 106.3° |
| CAR | CAT | CAI | 119.3° | 120.3° |
| CAW | NAL | CAU | 106.8° | 107.2° |
| CAW | NAL | H10 | 126.6° | 126.4° |
| NAN | CAU | NAL | 110.8° | 109.9° |
| NAN | CAU | NAZ | 128.7° | 125.0° |
| OAC | CAS | NAZ | 123.6° | 126.2° |
| OAC | CAS | CAV | 129.2° | 126.3° |
| CAS | OAC | H6 | 109.5° | 114.0° |
| CAD | CAE | CAI | 117.8° | 120.2° |
| CAE | CAD | H2 | 121.1° | 119.8° |
| CAD | CAE | H3 | 121.1° | 119.9° |
| OAO | CAY | CAT | 106.0° | 106.4° |
| OAO | CAY | CAV | 108.0° | 110.0° |
| OAO | CAY | H5 | 108.5° | 110.1° |
| NAL | CAU | NAZ | 120.4° | 125.1° |
| CAU | NAL | H10 | 126.6° | 126.3° |
| CAU | NAZ | CAS | 128.9° | 126.1° |
| CAU | NAZ | NAM | 120.2° | 126.1° |
| NAZ | CAS | CAV | 107.2° | 107.5° |
| CAS | NAZ | NAM | 110.8° | 107.7° |
| CAS | CAV | CAY | 122.0° | 126.0° |
| CAS | CAV | CAQ | 103.5° | 107.9° |
| NAZ | NAM | CAQ | 111.2° | 108.4° |
| CAY | CAT | CAI | 132.5° | 133.3° |
| CAT | CAY | CAV | 116.9° | 110.1° |
| CAT | CAY | H5 | 108.6° | 110.1° |
| CAT | CAI | CAE | 122.2° | 119.9° |
| CAT | CAI | H4 | 118.9° | 120.1° |
| CAY | CAV | CAQ | 134.5° | 126.1° |
| CAV | CAY | H5 | 108.6° | 110.1° |
| CAV | CAQ | NAM | 107.2° | 108.5° |
| CAV | CAQ | CAA | 133.1° | 125.8° |
| CAI | CAE | H3 | 121.1° | 119.9° |
| CAE | CAI | H4 | 118.9° | 120.0° |
| NAM | CAQ | CAA | 119.7° | 125.8° |
| CAQ | CAA | H7 | 109.5° | 109.5° |
| CAQ | CAA | H8 | 109.5° | 109.5° |
| CAQ | CAA | H9 | 109.5° | 109.5° |
| H7 | CAA | H8 | 109.5° | 109.5° |
| H7 | CAA | H9 | 109.4° | 109.4° |
| H8 | CAA | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAP | CAR | OAO | 173.1° | 180.0° |
| OAB | CAP | CAR | CAH | 5.3° | 0.0° |
| OAB | CAP | CAR | CAT | 176.0° | 179.9° |
| OAB | CAP | OAO | CAY | 169.7° | 180.0° |
| CAF | CAG | CAK | H13 | 180.0° | 180.0° |
| CAG | CAF | CAJ | H12 | 180.0° | 179.9° |
| CAF | CAG | CAK | CAX | 0.1° | 0.0° |
| CAG | CAF | CAJ | CAW | 0.1° | 0.0° |
| CAG | CAF | CAJ | H11 | 179.9° | 180.0° |
| CAF | CAG | CAK | H14 | 179.9° | 180.0° |
| CAK | CAG | CAF | CAJ | 0.1° | 0.0° |
| CAG | CAK | CAX | H14 | 180.0° | 179.9° |
| CAG | CAK | CAX | CAW | 0.0° | 0.1° |
| CAG | CAK | CAX | NAN | 179.9° | 179.7° |
| CAK | CAG | CAF | H12 | 179.8° | 180.0° |
| CAF | CAJ | CAW | H11 | 180.0° | 180.0° |
| CAF | CAJ | CAW | CAX | 0.1° | 0.0° |
| CAF | CAJ | CAW | NAL | 179.9° | 180.0° |
| CAJ | CAF | CAG | H13 | 179.9° | 179.9° |
| CAK | CAX | CAW | CAJ | 0.0° | 0.1° |
| CAK | CAX | CAW | NAN | 179.9° | 179.8° |
| CAK | CAX | CAW | NAL | 179.9° | 180.0° |
| CAK | CAX | NAN | CAU | 179.2° | 179.8° |
| CAX | CAK | CAG | H13 | 179.9° | 180.0° |
| CAP | CAR | CAH | CAT | 178.6° | 179.9° |
| CAP | CAR | CAH | CAD | 178.5° | 180.0° |
| CAR | CAP | OAO | CAY | 17.3° | 0.0° |
| CAP | CAR | CAT | CAY | 0.8° | 0.0° |
| CAP | CAR | CAT | CAI | 177.7° | 180.0° |
| CAP | CAR | CAH | H1 | 1.5° | 0.3° |
| OAO | CAP | CAR | CAH | 167.8° | 180.0° |
| OAO | CAP | CAR | CAT | 10.9° | 0.0° |
| CAP | OAO | CAY | CAT | 16.4° | 0.1° |
| CAP | OAO | CAY | CAV | 109.6° | 119.3° |
| CAP | OAO | CAY | H5 | 132.8° | 119.2° |
| CAR | CAH | CAD | H1 | 180.0° | 179.7° |
| CAR | CAH | CAD | CAE | 0.1° | 0.0° |
| CAH | CAR | CAT | CAY | 179.7° | 180.0° |
| CAH | CAR | CAT | CAI | 1.2° | 0.1° |
| CAR | CAH | CAD | H2 | 179.9° | 180.0° |
| CAD | CAH | CAR | CAT | 0.1° | 0.0° |
| CAH | CAD | CAE | H2 | 180.0° | 179.9° |
| CAH | CAD | CAE | CAI | 0.9° | 0.1° |
| CAH | CAD | CAE | H3 | 179.1° | 180.0° |
| CAJ | CAW | CAX | NAL | 179.9° | 179.9° |
| CAJ | CAW | CAX | NAN | 179.9° | 179.7° |
| CAJ | CAW | NAL | CAU | 179.2° | 179.9° |
| CAJ | CAW | NAL | H10 | 0.8° | 0.0° |
| CAW | CAJ | CAF | H12 | 179.9° | 180.0° |
| CAW | CAX | NAN | CAU | 0.9° | 0.4° |
| CAX | CAW | NAL | CAU | 0.7° | 0.0° |
| CAX | CAW | NAL | H10 | 179.3° | 179.9° |
| CAX | CAW | CAJ | H11 | 179.9° | 180.0° |
| CAW | CAX | CAK | H14 | 180.0° | 179.9° |
| NAN | CAX | CAW | NAL | 0.2° | 0.2° |
| CAX | NAN | CAU | NAL | 1.4° | 0.4° |
| CAX | NAN | CAU | NAZ | 177.5° | 179.9° |
| NAN | CAX | CAK | H14 | 0.1° | 0.3° |
| CAR | CAT | CAY | OAO | 11.2° | 0.1° |
| CAR | CAT | CAY | CAI | 178.3° | 179.9° |
| CAR | CAT | CAY | CAV | 109.2° | 119.3° |
| CAR | CAT | CAI | CAE | 2.2° | 0.0° |
| CAT | CAR | CAH | H1 | 180.0° | 179.7° |
| CAR | CAT | CAI | H4 | 177.8° | 180.0° |
| CAR | CAT | CAY | H5 | 127.6° | 119.2° |
| CAW | NAL | CAU | NAN | 1.3° | 0.2° |
| CAW | NAL | CAU | H10 | 180.0° | 180.0° |
| CAW | NAL | CAU | NAZ | 177.8° | 180.0° |
| NAL | CAW | CAJ | H11 | 0.1° | 0.1° |
| NAN | CAU | NAL | NAZ | 176.5° | 179.8° |
| NAN | CAU | NAZ | CAS | 15.0° | 0.3° |
| NAN | CAU | NAZ | NAM | 169.4° | 179.9° |
| NAN | CAU | NAL | H10 | 178.7° | 179.7° |
| OAC | CAS | NAZ | CAU | 3.1° | 0.0° |
| OAC | CAS | NAZ | CAV | 179.9° | 180.0° |
| OAC | CAS | NAZ | NAM | 179.1° | 179.8° |
| OAC | CAS | CAV | CAY | 1.7° | 0.0° |
| OAC | CAS | CAV | CAQ | 179.8° | 179.7° |
| CAD | CAE | CAI | CAT | 2.1° | 0.0° |
| CAD | CAE | CAI | H3 | 180.0° | 179.9° |
| CAE | CAD | CAH | H1 | 179.9° | 179.6° |
| CAD | CAE | CAI | H4 | 177.9° | 179.9° |
| OAO | CAY | CAV | CAS | 22.8° | 42.3° |
| OAO | CAY | CAT | CAV | 120.4° | 119.2° |
| OAO | CAY | CAT | H5 | 116.4° | 119.3° |
| OAO | CAY | CAT | CAI | 167.1° | 180.0° |
| OAO | CAY | CAV | H5 | 117.5° | 121.5° |
| OAO | CAY | CAV | CAQ | 159.8° | 138.1° |
| NAL | CAU | NAZ | CAS | 160.9° | 180.0° |
| NAL | CAU | NAZ | NAM | 14.8° | 0.2° |
| CAU | NAZ | CAS | NAM | 176.0° | 179.8° |
| CAU | NAZ | CAS | CAV | 176.7° | 180.0° |
| CAU | NAZ | NAM | CAQ | 177.9° | 179.8° |
| NAZ | CAU | NAL | H10 | 2.2° | 0.1° |
| NAZ | CAS | CAV | CAY | 178.4° | 180.0° |
| NAZ | CAS | CAV | CAQ | 0.3° | 0.3° |
| CAS | NAZ | NAM | CAQ | 1.5° | 0.0° |
| NAZ | CAS | OAC | H6 | 180.0° | 90.1° |
| CAV | CAS | NAZ | NAM | 0.7° | 0.2° |
| CAS | CAV | CAY | CAT | 142.1° | 74.7° |
| CAS | CAV | CAY | CAQ | 177.4° | 179.6° |
| CAS | CAV | CAQ | NAM | 1.1° | 0.3° |
| CAS | CAV | CAQ | CAA | 179.5° | 179.8° |
| CAS | CAV | CAY | H5 | 94.7° | 163.8° |
| CAV | CAS | OAC | H6 | 0.2° | 90.0° |
| NAZ | NAM | CAQ | CAV | 1.7° | 0.2° |
| NAZ | NAM | CAQ | CAA | 178.8° | 179.9° |
| CAT | CAY | CAV | H5 | 123.2° | 121.5° |
| CAT | CAY | CAV | CAQ | 40.5° | 105.0° |
| CAY | CAT | CAI | CAE | 179.7° | 179.9° |
| CAY | CAT | CAI | H4 | 0.3° | 0.2° |
| CAI | CAT | CAY | CAV | 72.6° | 60.8° |
| CAT | CAI | CAE | H4 | 180.0° | 179.9° |
| CAT | CAI | CAE | H3 | 177.9° | 179.9° |
| CAI | CAT | CAY | H5 | 50.7° | 60.7° |
| CAY | CAV | CAQ | NAM | 178.9° | 180.0° |
| CAY | CAV | CAQ | CAA | 1.8° | 0.1° |
| CAV | CAQ | NAM | CAA | 179.4° | 179.9° |
| CAQ | CAV | CAY | H5 | 82.7° | 16.5° |
| CAV | CAQ | CAA | H7 | 179.3° | 89.9° |
| CAV | CAQ | CAA | H8 | 59.3° | 150.0° |
| CAV | CAQ | CAA | H9 | 60.7° | 30.0° |
| CAI | CAE | CAD | H2 | 179.1° | 180.0° |
| NAM | CAQ | CAA | H7 | 0.0° | 90.0° |
| NAM | CAQ | CAA | H8 | 120.0° | 30.1° |
| NAM | CAQ | CAA | H9 | 120.0° | 150.1° |
| CAQ | CAA | H7 | H8 | 120.0° | 120.0° |
| CAQ | CAA | H7 | H9 | 120.0° | 120.0° |
| CAQ | CAA | H8 | H9 | 120.0° | 120.0° |
| H1 | CAH | CAD | H2 | 0.1° | 0.3° |
| H2 | CAD | CAE | H3 | 0.9° | 0.1° |
| H3 | CAE | CAI | H4 | 2.1° | 0.0° |
| H7 | CAA | H8 | H9 | 120.0° | 120.0° |
| H11 | CAJ | CAF | H12 | 0.1° | 0.0° |
| H12 | CAF | CAG | H13 | 0.1° | 0.0° |
| H13 | CAG | CAK | H14 | 0.1° | 0.1° |
