Y09
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAU | PAR | sing | 1.61Å | 1.56Å | |
| OAK | CAA | sing | 1.43Å | 1.45Å | |
| OAK | CAL | sing | 1.36Å | 1.37Å | |
| CAA | CAB | sing | 1.51Å | 1.55Å | |
| CAJ | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAE | sing | 1.39Å | 1.40Å | Aromatic |
| CAQ | CAL | doub | 1.39Å | 1.40Å | Aromatic |
| CAQ | CAP | sing | 1.38Å | 1.40Å | Aromatic |
| CAL | CAM | sing | 1.39Å | 1.39Å | Aromatic |
| OAD | CAB | doub | 1.21Å | 1.23Å | |
| CAP | CAO | doub | 1.38Å | 1.40Å | Aromatic |
| CAM | PAR | sing | 1.81Å | 1.84Å | |
| CAM | CAN | doub | 1.38Å | 1.38Å | Aromatic |
| PAR | OAS | sing | 1.61Å | 1.59Å | |
| PAR | OAT | doub | 1.48Å | 1.50Å | |
| CAI | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| NAC | CAE | sing | 1.40Å | 1.34Å | |
| CAO | CAN | sing | 1.38Å | 1.41Å | Aromatic |
| CAE | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| CAH | CAG | doub | 1.39Å | 1.40Å | Aromatic |
| CAF | CAG | sing | 1.39Å | 1.39Å | Aromatic |
| CAG | OAV | sing | 1.36Å | 1.38Å | |
| OAV | CAW | sing | 1.43Å | 1.46Å | |
| CAB | NAC | sing | 1.35Å | 1.35Å | |
| OAS | H1 | sing | 0.97Å | 0.95Å | |
| OAU | H2 | sing | 0.97Å | 0.95Å | |
| CAN | H4 | sing | 1.08Å | 1.08Å | |
| CAO | H5 | sing | 1.08Å | 1.08Å | |
| CAP | H6 | sing | 1.08Å | 1.08Å | |
| CAQ | H7 | sing | 1.08Å | 1.08Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| CAA | H9 | sing | 1.09Å | 1.10Å | |
| CAF | H10 | sing | 1.08Å | 1.08Å | |
| CAJ | H11 | sing | 1.08Å | 1.08Å | |
| CAI | H12 | sing | 1.08Å | 1.08Å | |
| CAH | H13 | sing | 1.08Å | 1.08Å | |
| CAW | H14 | sing | 1.09Å | 1.10Å | |
| CAW | H15 | sing | 1.09Å | 1.10Å | |
| CAW | H16 | sing | 1.09Å | 1.10Å | |
| NAC | H3 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAU | PAR | CAM | 108.3° | 109.5° |
| OAU | PAR | OAS | 115.7° | 109.5° |
| OAU | PAR | OAT | 107.6° | 109.5° |
| PAR | OAU | H2 | 109.5° | 114.0° |
| CAA | OAK | CAL | 122.1° | 117.0° |
| OAK | CAA | CAB | 107.1° | 109.5° |
| OAK | CAA | H8 | 110.1° | 109.5° |
| OAK | CAA | H9 | 110.1° | 109.5° |
| OAK | CAL | CAQ | 123.8° | 120.1° |
| OAK | CAL | CAM | 114.8° | 120.0° |
| CAA | CAB | OAD | 121.3° | 120.0° |
| CAA | CAB | NAC | 114.1° | 120.0° |
| CAB | CAA | H8 | 110.0° | 109.5° |
| CAB | CAA | H9 | 110.1° | 109.5° |
| CAI | CAJ | CAE | 119.2° | 120.0° |
| CAJ | CAI | CAH | 120.5° | 120.1° |
| CAI | CAJ | H11 | 120.4° | 120.0° |
| CAJ | CAI | H12 | 119.8° | 119.9° |
| CAJ | CAE | NAC | 123.3° | 120.1° |
| CAJ | CAE | CAF | 119.8° | 119.9° |
| CAE | CAJ | H11 | 120.4° | 120.0° |
| CAL | CAQ | CAP | 118.8° | 120.0° |
| CAQ | CAL | CAM | 121.4° | 119.9° |
| CAL | CAQ | H7 | 120.6° | 120.0° |
| CAQ | CAP | CAO | 119.8° | 120.0° |
| CAQ | CAP | H6 | 120.1° | 120.0° |
| CAP | CAQ | H7 | 120.6° | 120.0° |
| CAL | CAM | PAR | 118.6° | 120.0° |
| CAL | CAM | CAN | 119.8° | 119.9° |
| OAD | CAB | NAC | 124.6° | 120.0° |
| CAP | CAO | CAN | 120.5° | 120.1° |
| CAP | CAO | H5 | 119.8° | 119.9° |
| CAO | CAP | H6 | 120.1° | 120.0° |
| PAR | CAM | CAN | 121.6° | 120.0° |
| CAM | PAR | OAS | 106.0° | 109.5° |
| CAM | PAR | OAT | 113.1° | 109.5° |
| CAM | CAN | CAO | 119.6° | 120.1° |
| CAM | CAN | H4 | 120.2° | 119.9° |
| OAS | PAR | OAT | 106.2° | 109.5° |
| PAR | OAS | H1 | 109.5° | 114.0° |
| CAI | CAH | CAG | 120.2° | 120.1° |
| CAH | CAI | H12 | 119.8° | 120.0° |
| CAI | CAH | H13 | 119.9° | 119.9° |
| NAC | CAE | CAF | 116.9° | 120.0° |
| CAE | NAC | CAB | 121.4° | 120.0° |
| CAE | NAC | H3 | 119.3° | 120.0° |
| CAO | CAN | H4 | 120.2° | 120.0° |
| CAN | CAO | H5 | 119.7° | 119.9° |
| CAE | CAF | CAG | 121.4° | 119.9° |
| CAE | CAF | H10 | 119.3° | 120.1° |
| CAH | CAG | CAF | 118.9° | 120.0° |
| CAH | CAG | OAV | 121.4° | 120.0° |
| CAG | CAH | H13 | 119.9° | 120.0° |
| CAF | CAG | OAV | 119.7° | 120.0° |
| CAG | CAF | H10 | 119.3° | 120.0° |
| CAG | OAV | CAW | 114.5° | 117.0° |
| OAV | CAW | H14 | 109.5° | 109.5° |
| OAV | CAW | H15 | 109.5° | 109.4° |
| OAV | CAW | H16 | 109.5° | 109.4° |
| CAB | NAC | H3 | 119.3° | 120.0° |
| H8 | CAA | H9 | 109.5° | 109.5° |
| H14 | CAW | H15 | 109.4° | 109.5° |
| H14 | CAW | H16 | 109.5° | 109.5° |
| H15 | CAW | H16 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAU | PAR | CAM | CAL | 67.2° | 149.8° |
| OAU | PAR | CAM | OAS | 124.7° | 120.0° |
| OAU | PAR | CAM | OAT | 119.3° | 120.0° |
| OAU | PAR | CAM | CAN | 113.0° | 30.0° |
| OAU | PAR | OAS | OAT | 119.3° | 120.0° |
| OAU | PAR | OAS | H1 | 119.3° | 60.1° |
| OAK | CAA | CAB | H8 | 119.6° | 120.0° |
| OAK | CAA | CAB | H9 | 119.6° | 120.0° |
| CAA | OAK | CAL | CAQ | 17.4° | 0.1° |
| CAA | OAK | CAL | CAM | 163.2° | 179.4° |
| OAK | CAA | CAB | OAD | 174.0° | 0.0° |
| OAK | CAA | CAB | NAC | 5.6° | 180.0° |
| OAK | CAA | H8 | H9 | 121.1° | 120.0° |
| CAL | OAK | CAA | CAB | 153.6° | 180.0° |
| OAK | CAL | CAQ | CAM | 179.3° | 179.5° |
| OAK | CAL | CAQ | CAP | 179.2° | 180.0° |
| OAK | CAL | CAM | PAR | 1.1° | 0.2° |
| OAK | CAL | CAM | CAN | 179.1° | 180.0° |
| OAK | CAL | CAQ | H7 | 0.8° | 0.5° |
| CAL | OAK | CAA | H8 | 86.8° | 60.0° |
| CAL | OAK | CAA | H9 | 33.9° | 60.0° |
| CAA | CAB | OAD | NAC | 179.5° | 180.0° |
| CAA | CAB | NAC | CAE | 177.5° | 175.4° |
| CAB | CAA | H8 | H9 | 121.1° | 120.0° |
| CAA | CAB | NAC | H3 | 2.5° | 4.6° |
| CAI | CAJ | CAE | H11 | 180.0° | 179.9° |
| CAJ | CAI | CAH | H12 | 180.0° | 180.0° |
| CAI | CAJ | CAE | NAC | 178.9° | 180.0° |
| CAI | CAJ | CAE | CAF | 0.8° | 0.3° |
| CAJ | CAI | CAH | CAG | 0.4° | 0.3° |
| CAJ | CAI | CAH | H13 | 179.6° | 180.0° |
| CAE | CAJ | CAI | CAH | 0.2° | 0.0° |
| CAJ | CAE | NAC | CAF | 178.2° | 179.7° |
| CAJ | CAE | CAF | CAG | 0.7° | 0.3° |
| CAJ | CAE | NAC | CAB | 78.0° | 145.2° |
| CAJ | CAE | CAF | H10 | 179.3° | 179.8° |
| CAE | CAJ | CAI | H12 | 179.8° | 180.0° |
| CAJ | CAE | NAC | H3 | 102.1° | 34.9° |
| CAL | CAQ | CAP | H7 | 180.0° | 179.5° |
| CAL | CAQ | CAP | CAO | 0.1° | 0.3° |
| CAQ | CAL | CAM | PAR | 179.5° | 179.7° |
| CAQ | CAL | CAM | CAN | 0.3° | 0.5° |
| CAL | CAQ | CAP | H6 | 179.9° | 179.7° |
| CAP | CAQ | CAL | CAM | 0.1° | 0.5° |
| CAQ | CAP | CAO | H6 | 180.0° | 180.0° |
| CAQ | CAP | CAO | CAN | 0.3° | 0.0° |
| CAQ | CAP | CAO | H5 | 179.6° | 180.0° |
| CAL | CAM | PAR | CAN | 179.8° | 179.8° |
| CAL | CAM | PAR | OAS | 168.0° | 90.2° |
| CAL | CAM | PAR | OAT | 52.1° | 29.7° |
| CAL | CAM | CAN | CAO | 0.5° | 0.2° |
| CAL | CAM | CAN | H4 | 179.5° | 179.8° |
| CAM | CAL | CAQ | H7 | 179.9° | 180.0° |
| OAD | CAB | NAC | CAE | 3.0° | 4.6° |
| OAD | CAB | CAA | H8 | 54.4° | 120.0° |
| OAD | CAB | CAA | H9 | 66.4° | 120.0° |
| OAD | CAB | NAC | H3 | 177.1° | 175.4° |
| CAP | CAO | CAN | CAM | 0.5° | 0.0° |
| CAP | CAO | CAN | H5 | 180.0° | 180.0° |
| CAP | CAO | CAN | H4 | 179.5° | 180.0° |
| CAO | CAP | CAQ | H7 | 179.9° | 179.8° |
| CAM | PAR | OAS | OAT | 120.6° | 120.0° |
| PAR | CAM | CAN | CAO | 179.3° | 180.0° |
| CAM | PAR | OAS | H1 | 120.6° | 60.0° |
| CAM | PAR | OAU | H2 | 122.7° | 180.0° |
| PAR | CAM | CAN | H4 | 0.7° | 0.0° |
| CAN | CAM | PAR | OAS | 11.8° | 90.0° |
| CAN | CAM | PAR | OAT | 127.8° | 150.0° |
| CAM | CAN | CAO | H4 | 180.0° | 180.0° |
| CAM | CAN | CAO | H5 | 179.4° | 179.9° |
| OAS | PAR | OAU | H2 | 118.5° | 60.0° |
| OAT | PAR | OAS | H1 | 0.0° | 180.0° |
| OAT | PAR | OAU | H2 | 0.0° | 60.0° |
| CAI | CAH | CAG | H13 | 180.0° | 179.7° |
| CAI | CAH | CAG | CAF | 0.5° | 0.2° |
| CAI | CAH | CAG | OAV | 179.7° | 179.7° |
| CAH | CAI | CAJ | H11 | 179.7° | 180.0° |
| NAC | CAE | CAF | CAG | 178.9° | 180.0° |
| CAE | NAC | CAB | H3 | 180.0° | 180.0° |
| NAC | CAE | CAF | H10 | 1.1° | 0.0° |
| NAC | CAE | CAJ | H11 | 1.1° | 0.0° |
| CAN | CAO | CAP | H6 | 179.6° | 180.0° |
| CAE | CAF | CAG | CAH | 0.0° | 0.1° |
| CAE | CAF | CAG | H10 | 180.0° | 179.9° |
| CAE | CAF | CAG | OAV | 179.7° | 179.9° |
| CAF | CAE | NAC | CAB | 103.9° | 35.1° |
| CAF | CAE | CAJ | H11 | 179.2° | 179.7° |
| CAF | CAE | NAC | H3 | 76.1° | 144.9° |
| CAH | CAG | CAF | OAV | 179.7° | 179.9° |
| CAH | CAG | OAV | CAW | 154.0° | 0.0° |
| CAH | CAG | CAF | H10 | 180.0° | 180.0° |
| CAG | CAH | CAI | H12 | 179.6° | 179.7° |
| CAF | CAG | OAV | CAW | 26.3° | 179.9° |
| CAF | CAG | CAH | H13 | 179.5° | 179.9° |
| OAV | CAG | CAF | H10 | 0.3° | 0.0° |
| OAV | CAG | CAH | H13 | 0.2° | 0.0° |
| CAG | OAV | CAW | H14 | 180.0° | 180.0° |
| CAG | OAV | CAW | H15 | 60.0° | 60.0° |
| CAG | OAV | CAW | H16 | 60.0° | 60.0° |
| OAV | CAW | H14 | H15 | 120.0° | 120.0° |
| OAV | CAW | H14 | H16 | 120.0° | 120.0° |
| OAV | CAW | H15 | H16 | 120.0° | 120.0° |
| NAC | CAB | CAA | H8 | 125.2° | 60.0° |
| NAC | CAB | CAA | H9 | 114.0° | 60.0° |
| H4 | CAN | CAO | H5 | 0.6° | 0.0° |
| H5 | CAO | CAP | H6 | 0.4° | 0.0° |
| H6 | CAP | CAQ | H7 | 0.2° | 0.2° |
| H11 | CAJ | CAI | H12 | 0.3° | 0.0° |
| H12 | CAI | CAH | H13 | 0.4° | 0.0° |
| H14 | CAW | H15 | H16 | 120.0° | 120.1° |
